Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T70977 | Target Info | |||
| Target Name | Glycogen synthase kinase-3 beta (GSK-3B) | ||||
| Synonyms | Serine/threonine-protein kinase GSK3B; GSK-3 beta | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GSK3B | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: adenosine diphosphate | Ligand Info | |||||
| Structure Description | Binary complex structure of human tau protein kinase I with ADP | PDB:1J1C | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SYICSRYYRA224 PELIFGATDY234 TSSIDVWSAG 244 CVLAELLLGQ254 PIFPGDSGVD264 QLVEIIKVLG274 TPTREQIREM284 NPNYTEFKFP 294 QIKAHPWTKV304 FRPRTPPEAI314 ALCSRLLEYT324 PTARLTPLEA334 CAHSFFDELR 344 DPNVKLPNGR354 DTPALFNFTT364 QELSSNPPLA374 TILIPPHARI384 QAAA |
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ILE62
3.818
GLY63
4.799
ASN64
3.995
GLY65
2.916
SER66
3.885
PHE67
3.748
VAL70
3.674
ALA83
3.513
LYS85
2.925
GLU97
4.956
VAL110
3.481
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: CHIR-99021 | Ligand Info | |||||
| Structure Description | Co-structure of human glycogen synthase kinase beta with a selective (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine inhibitor | PDB:6B8J | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [2] |
| PDB Sequence |
VTTVVATPGQ
46 GPDRPQEVSY56 TDTKVIGNGS66 FGVVYQAKLC76 DSGELVAIKK86 VLQDKRFKNR 96 ELQIMRKLDH106 CNIVRLRYFF116 YSSGDEVYLN129 LVLDYVPETV139 YRVARHYSRA 149 KQTLPVIYVK159 LYMYQLFRSL169 AYIHSFGICH179 RDIKPQNLLL189 DPDTAVLKLC 199 DFGSAKQLVR209 GEPNVSICSR220 YYRAPELIFG230 ATDYTSSIDV240 WSAGCVLAEL 250 LLGQPIFPGD260 SGVDQLVEII270 KVLGTPTREQ280 IREMNPNYTE290 FKFPQIKAHP 300 WTKVFRPRTP310 PEAIALCSRL320 LEYTPTARLT330 PLEACAHSFF340 DELRDPNVKL 350 PNGRDTPALF360 NFTTQELSSN370 PPLATILIPP380 HARI
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ILE62
3.385
GLY63
3.603
ASN64
3.491
PHE67
3.381
VAL70
3.665
ALA83
3.636
LYS85
4.740
VAL110
4.287
LEU132
3.441
ASP133
3.309
TYR134
3.270
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: PMID19115845C89S | Ligand Info | |||||
| Structure Description | Crystal structure of GSK-3 beta in complex with NMS-869553A | PDB:3DU8 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [3] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSVYLNL130 VLDYVPETVY140 RVARHYSRAK 150 QTLPVIYVKL160 YMYQLFRSLA170 YIHSFGICHR180 DIKPQNLLLD190 PDTAVLKLCD 200 FGSAKQLVRG210 EPNVSYICSR220 YYRAPELIFG230 ATDYTSSIDV240 WSAGCVLAEL 250 LLGQPIFPGD260 SGVDQLVEII270 KVLGTPTREQ280 IREMNPFPQI296 KAHPWTKVFR 306 PRTPPEAIAL316 CSRLLEYTPT326 ARLTPLEACA336 HSFFDELRDP346 NVKLPNGRDT 356 PALFNFTTQE366 LSSNPPLATI376 LIPPHA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .553 or .5532 or .5533 or :3553;style chemicals stick;color identity;select .A:62 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:183 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200 or .A:201; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Indirubin-3'-monoxime | Ligand Info | |||||
| Structure Description | GSK-3 Beta complexed with Indirubin-3'-monoxime | PDB:1Q41 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [4] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSVYLNL130 VLDYVPETVY140 RVARHYSRAK 150 QTLPVIYVKL160 YMYQLFRSLA170 YIHSFGICHR180 DIKPQNLLLD190 PDTAVLKLCD 200 FGSAKQLVRG210 EPNVSYICSR220 YYRAPELIFG230 ATDYTSSIDV240 WSAGCVLAEL 250 LLGQPIFPGD260 SGVDQLVEII270 KVLGTPTREQ280 IREMKFPQIK297 AHPWTKVFRP 307 RTPPEAIALC317 SRLLEYTPTA327 RLTPLEACAH337 SFFDELRDPN347 VKLPNGRDTP 357 ALFNFTTQEL367 SSNPPLATIL377 IPPHARIQA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IXM or .IXM2 or .IXM3 or :3IXM;style chemicals stick;color identity;select .A:62 or .A:63 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:188 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Staurosporine | Ligand Info | |||||
| Structure Description | GSK-3 Beta complexed with Staurosporine | PDB:1Q3D | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [4] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSVYLNL130 VLDYVPETVY140 RVARHYSRAK 150 QTLPVIYVKL160 YMYQLFRSLA170 YIHSFGICHR180 DIKPQNLLLD190 PDTAVLKLCD 200 FGSAKQLVRG210 EPNVSYICSR220 YYRAPELIFG230 ATDYTSSIDV240 WSAGCVLAEL 250 LLGQPIFPGD260 SGVDQLVEII270 KVLGTPTREQ280 IREMNPFPQI296 KAHPWTKVFR 306 PRTPPEAIAL316 CSRLLEYTPT326 ARLTPLEACA336 HSFFDELRDP346 NVKLPNGRDT 356 PALFNFTTQE366 LSSNPPLATI376 LIPPHARIQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .STU or .STU2 or .STU3 or :3STU;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:65 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 9-nitropaullone | Ligand Info | |||||
| Structure Description | GSK-3 Beta complexed with Alsterpaullone | PDB:1Q3W | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [4] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEVYL128 NLVLDYVPET138 VYRVARHYSR 148 AKQTLPVIYV158 KLYMYQLFRS168 LAYIHSFGIC178 HRDIKPQNLL188 LDPDTAVLKL 198 CDFGSAKQLV208 RGEPNVSYIC218 SRYYRAPELI228 FGATDYTSSI238 DVWSAGCVLA 248 ELLLGQPIFP258 GDSGVDQLVE268 IIKVLGTPTR278 EQIREMNPNK292 FPQIKAHPWT 302 KVFRPRTPPE312 AIALCSRLLE322 YTPTARLTPL332 EACAHSFFDE342 LRDPNVKLPN 352 GRDTPALFNF362 TTQELSSNPP372 LATILIPPHA382 RIQA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ATU or .ATU2 or .ATU3 or :3ATU;style chemicals stick;color identity;select .A:62 or .A:70 or .A:83 or .A:85 or .A:97 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: I-5 | Ligand Info | |||||
| Structure Description | GSK-3 Beta complexed with Inhibitor I-5 | PDB:1Q4L | ||||
| Method | X-ray diffraction | Resolution | 2.77 Å | Mutation | No | [4] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGDEVY127 LNLVLDYVPE137 TVYRVARHYS 147 RAKQTLPVIY157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL187 LLDPDTAVLK 197 LCDFGSAKQL207 VRGEPNVSYI217 CSRYYRAPEL227 IFGATDYTSS237 IDVWSAGCVL 247 AELLLGQPIF257 PGDSGVDQLV267 EIIKVLGTPT277 REQIREMNFP294 QIKAHPWTKV 304 FRPRTPPEAI314 ALCSRLLEYT324 PTARLTPLEA334 CAHSFFDELR344 DPNVKLPNGR 354 DTPALFNFTT364 QELSSNPPLA374 TILIPPHARI384 QA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .679 or .6792 or .6793 or :3679;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:65 or .A:66 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: AR-A014418 | Ligand Info | |||||
| Structure Description | crystal structure of Glycogen synthase kinase 3 in complexed with inhibitor | PDB:1Q5K | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [5] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSKKDEV126 YLNLVLDYVP136 ETVYRVARHY 146 SRAKQTLPVI156 YVKLYMYQLF166 RSLAYIHSFG176 ICHRDIKPQN186 LLLDPDTAVL 196 KLCDFGSAKQ206 LVRGEPNVSY216 ICSRYYRAPE226 LIFGATDYTS236 SIDVWSAGCV 246 LAELLLGQPI256 FPGDSGVDQL266 VEIIKVLGTP276 TREQIREMNP286 EFKFPQIKAH 299 PWTKVFRPRT309 PPEAIALCSR319 LLEYTPTARL329 TPLEACAHSF339 FDELRDPNVK 349 LPNGRDTPAL359 FNFTTQELSS369 NPPLATILIP379 PHARI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TMU or .TMU2 or .TMU3 or :3TMU;style chemicals stick;color identity;select .A:61 or .A:62 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:188 or .A:199; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: L-serine-O-phosphate | Ligand Info | |||||
| Structure Description | Crystal structure of GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide | PDB:4NM3 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [6] |
| PDB Sequence |
RTTFMKVSRS
35 KVTTVVATPG45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK 85 KVLQDKRFKN95 RELQIMRKLD105 HCNIVRLRYF115 FYSSKKDEVY127 LNLVLDYVPE 137 TVYRVARHYS147 RAKQTLPVIY157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL 187 LLDPDTAVLK197 LCDFGSAKQL207 VRGEPNVSYI217 CSRYYRAPEL227 IFGATDYTSS 237 IDVWSAGCVL247 AELLLGQPIF257 PGDSGVDQLV267 EIIKVLGTPT277 REQIREMNPN 287 YTEFKFPQIK297 AHPWTKVFRP307 RTPPEAIALC317 SRLLEYTPTA327 RLTPLEACAH 337 SFFDELRDPN347 VKLPNGRDTP357 ALFNFTTQEL367 SSNPPLATIL377 IPPHARH |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:7 or .A:8 or .A:10 or .A:92 or .A:93 or .A:94 or .A:96 or .A:180 or .A:205 or .A:212 or .A:213 or .A:214 or .A:234; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: AZD-2858 | Ligand Info | |||||
| Structure Description | GSK3b in complex with inhibitor | PDB:4ACD | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [7] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SYICSRYYRA224 PELIFGATDY234 TSSIDVWSAG 244 CVLAELLLGQ254 PIFPGDSGVD264 QLVEIIKVLG274 TPTREQIREM284 NPNYTEFKFP 294 QIKAHPWTKV304 FRPRTPPEAI314 ALCSRLLEYT324 PTARLTPLEA334 CAHSFFDELR 344 DPNVKLPNGR354 DTPALFNFTT364 QELSSNPPLA374 TILIPPHARI384 Q |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GR9 or .GR92 or .GR93 or :3GR9;style chemicals stick;color identity;select .A:60 or .A:62 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:186 or .A:188 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: PIK-75 | Ligand Info | |||||
| Structure Description | Crystal Structure of Glycogen synthase kinase-3 beta (GSK3B) in Complex with PIK-75 | PDB:6GN1 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [8] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSEVYLNL130 VLDYVPETVY140 RVARHYSRAK 150 QTLPVIYVKL160 YMYQLFRSLA170 YIHSFGICHR180 DIKPQNLLLD190 PDTAVLKLCD 200 FGSAKQLVRG210 EPNVSICSRY221 YRAPELIFGA231 TDYTSSIDVW241 SAGCVLAELL 251 LGQPIFPGDS261 GVDQLVEIIK271 VLGTPTREQI281 REMNPNYTEP294 QIKAHPWTKV 304 FRPRTPPEAI314 ALCSRLLEYT324 PTARLTPLEA334 CAHSFFDELR344 DPNVKLPNGR 354 DTPALFNFTT364 QELSSNPPLA374 TILIPPHAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F4N or .F4N2 or .F4N3 or :3F4N;style chemicals stick;color identity;select .B:62 or .B:63 or .B:64 or .B:67 or .B:70 or .B:83 or .B:85 or .B:110 or .B:132 or .B:133 or .B:134 or .B:135 or .B:138 or .B:185 or .B:186 or .B:188 or .B:199 or .B:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Phosphonotyrosine | Ligand Info | |||||
| Structure Description | 5-aryl-4-carboxamide-1,3-oxazoles: potent and selective GSK-3 inhibitors | PDB:4AFJ | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [9] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQFKNREL 98 QIMRKLDHCN108 IVRLRYFFYS118 SKKDEVYLNL130 VLDYVPETVY140 RVARHYSRAK 150 QTLPVIYVKL160 YMYQLFRSLA170 YIHSFGICHR180 DIKPQNLLLD190 PDTAVLKLCD 200 FGSAKQLVRG210 EPNVSICSRY221 YRAPELIFGA231 TDYTSSIDVW241 SAGCVLAELL 251 LGQPIFPGDS261 GVDQLVEIIK271 VLGTPTREQI281 REMNPNYTEF291 KFPQIKAHPW 301 TKVFRPRTPP311 EAIALCSRLL321 EYTPTARLTP331 LEACAHSFFD341 ELRDPNVKLP 351 NGRDTPALFN361 FTTQELSSNP371 PLATILIPPH381 ARI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:261 or .A:262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Indazole derivative 6 | Ligand Info | |||||
| Structure Description | Glycogen synthase kinase-3 beta (GSK3b) in complex with ligand 1 | PDB:6TCU | ||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | No | [10] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTEFKFPQ 295 IKAHPWTKVF305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD 345 PNVKLPNGRD355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHARI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N1Q or .N1Q2 or .N1Q3 or :3N1Q;style chemicals stick;color identity;select .A:62 or .A:67 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:186 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 9-methyl-9H-adenine | Ligand Info | |||||
| Structure Description | GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH AXIN PEPTIDE | PDB:1O9U | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [11] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQGKAFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPATVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTEFAFPQ 295 IKAHPWTKVF305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD 345 PNVKLPNGRD355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHARI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADZ or .ADZ2 or .ADZ3 or :3ADZ;style chemicals stick;color identity;select .A:62 or .A:70 or .A:83 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:188 or .A:199; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-bromoindirubin-3-oxime | Ligand Info | |||||
| Structure Description | GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 6-BROMOINDIRUBIN-3'-OXIME | PDB:1UV5 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [12] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQGKAFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SYICSRYYRA224 PELIFGATDY234 TSSIDVWSAG 244 CVLAELLLGQ254 PIFPGDSGVD264 QLVEIIKVLG274 TPTREQIREM284 NPNYTEFKFP 294 QIKAHPWTKV304 FRPRTPPEAI314 ALCSRLLEYT324 PTARLTPLEA334 CAHSFFDELR 344 DPNVKLPNGR354 DTPALFNFTT364 QELSSNPPLA374 TILIPPHAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BRW or .BRW2 or .BRW3 or :3BRW;style chemicals stick;color identity;select .A:62 or .A:63 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: AMP-PNP | Ligand Info | |||||
| Structure Description | Crystal structure of an activated Akt/protein kinase B (PKB-PIF chimera) ternary complex with AMP-PNP and GSK3 peptide | PDB:1O6L | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [13] |
| PDB Sequence |
GRPRTTSFAE
12
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ANP or .ANP2 or .ANP3 or :3ANP;style chemicals stick;color identity;select .C:6 or .C:7 or .C:8 or .C:9; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Phosphonothreonine | Ligand Info | |||||
| Structure Description | Crystal structure of an activated Akt/protein kinase B (PKB-PIF chimera) ternary complex with AMP-PNP and GSK3 peptide | PDB:1O6L | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [13] |
| PDB Sequence |
GRPRTTSFAE
12
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .C:12; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: A-443654 | Ligand Info | |||||
| Structure Description | STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH THE INHIBITOR A-443654 | PDB:2JDR | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [14] |
| PDB Sequence |
GRPRTTSFAE
12
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L20 or .L202 or .L203 or :3L20;style chemicals stick;color identity;select .C:6; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(6-((2-((6-Amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one | Ligand Info | |||||
| Structure Description | Co-structure of human glycogen synthase kinase beta with 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one | PDB:6V6L | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [15] |
| PDB Sequence |
VTTVVATPGQ
46 GPDRPQEVSY56 TDTKVIGNGS66 FGVVYQAKLC76 DSGELVAIKK86 VLQDKRELQI 100 MRKLDHCNIV110 RLRYFFYSSG120 EKKDEVYLNL130 VLDYVPETVY140 RVARHYSRAK 150 QTLPVIYVKL160 YMYQLFRSLA170 YIHSFGICHR180 DIKPQNLLLD190 PDTAVLKLCD 200 FGSAKQLVRG210 EPNVSICSRY221 YRAPELIFGA231 TDYTSSIDVW241 SAGCVLAELL 251 LGQPIFPGDS261 GVDQLVEIIK271 VLGTPTREQI281 REMNPNYTEF291 KFPQIKAHPW 301 TKVFRPRTPP311 EAIALCSRLL321 EYTPTARLTP331 LEACAHSFFD341 ELRDPNVKLP 351 NGRDTPALFN361 FTTQELSSNP371 PLATILIPPH381 ARI
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QQA or .QQA2 or .QQA3 or :3QQA;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:65 or .A:67 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE62
3.516
GLY63
3.487
ASN64
3.393
GLY65
4.948
PHE67
3.561
VAL70
3.936
ALA83
3.259
LYS85
4.385
VAL110
3.503
LEU132
3.503
ASP133
2.807
|
|||||
| Ligand Name: (2R)-3-[7-amino-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyanopropanamide | Ligand Info | |||||
| Structure Description | Glycogen synthase kinase-3 beta (GSK3) complex with a covalent [1,2,4]triazolo[1,5-a][1,3,5]triazine inhibitor | PDB:6H0U | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [16] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 YICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTEFKFPQ 295 IKAHPWTKVF305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD 345 PNVKLPNGRD355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHAR
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FKB or .FKB2 or .FKB3 or :3FKB;style chemicals stick;color identity;select .A:62 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:186 or .A:188 or .A:199 or .A:200 or .A:201; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Ruthenium Pyridocarbazole | Ligand Info | |||||
| Structure Description | Extremely Tight Binding of Ruthenium Complex to Glycogen Synthase Kinase 3 | PDB:2JLD | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [17] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 YICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTFKFPQI 296 KAHPWTKVFR306 PRTPPEAIAL316 CSRLLEYTPT326 ARLTPLEACA336 HSFFDELRDP 346 NVKLPNGRDT356 PALFNFTTQE366 LSSNPPLATI376 LIPPHARIQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AG1 or .AG12 or .AG13 or :3AG1;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:67 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE62
3.247
GLY63
3.103
ASN64
3.977
PHE67
3.285
VAL70
3.674
ALA83
3.523
LYS85
3.136
VAL110
3.862
LEU132
3.224
ASP133
2.836
TYR134
3.403
|
|||||
| Ligand Name: 9-Amino-4,11-diaza-14-azanidapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1,6,8,10,12,15,17,19-octaene-3,5-dione;carbon monoxide;chlororuthenium(2+);pyridin-2-ylmethylazanide | Ligand Info | |||||
| Structure Description | Structure of Glycogen Synthase Kinase 3 beta (GSK3B) in complex with a ruthenium octasporine ligand (OS1) | PDB:3PUP | ||||
| Method | X-ray diffraction | Resolution | 2.99 Å | Mutation | No | [18] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 YICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTFKFPQI 296 KAHPWTKVFR306 PRTPPEAIAL316 CSRLLEYTPT326 ARLTPLEACA336 HSFFDELRDP 346 NVKLPNGRDT356 PALFNFTTQE366 LSSNPPLATI376 LIPPHA
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OS1 or .OS12 or .OS13 or :3OS1;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:67 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:183 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE62
3.110
GLY63
3.385
ASN64
4.827
PHE67
3.791
VAL70
3.972
ALA83
3.359
LYS85
3.732
VAL110
4.223
LEU132
3.265
ASP133
2.791
TYR134
3.085
|
|||||
| Ligand Name: Ruthenium Pyridocarbazole | Ligand Info | |||||
| Structure Description | Structure of Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3 | PDB:3M1S | ||||
| Method | X-ray diffraction | Resolution | 3.13 Å | Mutation | No | [19] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 YICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTFFPQIK 297 AHPWTKVFRP307 RTPPEAIALC317 SRLLEYTPTA327 RLTPLEACAH337 SFFDELRDPN 347 VKLPNGRDTP357 ALFNFTTQEL367 SSNPPLATIL377 IPPHARIQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DW1 or .DW12 or .DW13 or :3DW1;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:67 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE62
3.394
GLY63
2.907
ASN64
3.540
PHE67
3.308
VAL70
3.490
ALA83
3.452
LYS85
3.896
VAL110
3.701
LEU132
3.436
ASP133
2.741
TYR134
3.299
|
|||||
| Ligand Name: N-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide | Ligand Info | |||||
| Structure Description | GSK3beta complex with N-(6-(3,4-dihydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide | PDB:5OY4 | ||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [20] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 ICSRYYRAPE226 LIFGATDYTS236 SIDVWSAGCV 246 LAELLLGQPI256 FPGDSGVDQL266 VEIIKVLGTP276 TREQIREMNP286 NYTEFKFPQI 296 KAHPWTKVFR306 PRTPPEAIAL316 CSRLLEYTPT326 ARLTPLEACA336 HSFFDELRDP 346 NVKLPNGRDT356 PALFNFTTQE366 LSSNPPLATI376 LIPPHARIQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B4K or .B4K2 or .B4K3 or :3B4K;style chemicals stick;color identity;select .A:62 or .A:70 or .A:83 or .A:85 or .A:97 or .A:101 or .A:110 or .A:130 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:138 or .A:141 or .A:188 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE62
3.836
VAL70
4.533
ALA83
3.572
LYS85
3.445
GLU97
2.529
MET101
3.536
VAL110
3.956
LEU130
4.673
LEU132
3.273
ASP133
3.005
TYR134
3.498
|
|||||
| Ligand Name: (2r)-2-Methyl-1,4-Dihydropyrido[2,3-B]pyrazin-3(2h)-One | Ligand Info | |||||
| Structure Description | Crystal Structure of GSK3b in complex with inhibitor 1R | PDB:4J71 | ||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | No | [21] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 ICSRYYRAPE226 LIFGATDYTS236 SIDVWSAGCV 246 LAELLLGQPI256 FPGDSGVDQL266 VEIIKVLGTP276 TREQIREMNP286 NYTEFKFPQI 296 KAHPWTKVFR306 PRTPPEAIAL316 CSRLLEYTPT326 ARLTPLEACA336 HSFFDELRDP 346 NVKLPNGRDT356 PALFNFTTQE366 LSSNPPLATI376 LIPPHAR
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1JX or .1JX2 or .1JX3 or :31JX;style chemicals stick;color identity;select .A:62 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4S)-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one | Ligand Info | |||||
| Structure Description | Glycogen Synthase Kinase 3 beta Complexed with BRD0209 | PDB:5KPK | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [22] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSKDEVY127 LNLVLDYVPE137 TVYRVARHYS 147 RAKQTLPVIY157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL187 LLDPDTAVLK 197 LCDFGSAKQL207 VRGEPNVSIC218 SRYYRAPELI228 FGATDYTSSI238 DVWSAGCVLA 248 ELLLGQPIFP258 GDSGVDQLVE268 IIKVLGTPTR278 EQIREMNPNY288 TEFKFPQIKA 298 HPWTKVFRPR308 TPPEAIALCS318 RLLEYTPTAR328 LTPLEACAHS338 FFDELRDPNV 348 KLPNGRDTPA358 LFNFTTQELS368 SNPPLATILI378 PPHARI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6VK or .6VK2 or .6VK3 or :36VK;style chemicals stick;color identity;select .A:62 or .A:63 or .A:67 or .A:70 or .A:83 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(2-methoxyphenyl)-3,7,7-trimethyl-6,8-dihydro-2H-pyrazolo[3,4-b]quinolin-5-one | Ligand Info | |||||
| Structure Description | X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937 | PDB:5HLP | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [23] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSEVYLNL130 VLDYVPETVY140 RVARHYSRAK 150 QTLPVIYVKL160 YMYQLFRSLA170 YIHSFGICHR180 DIKPQNLLLD190 PDTAVLKLCD 200 FGSAKQLVRG210 EPNVSICSRY221 YRAPELIFGA231 TDYTSSIDVW241 SAGCVLAELL 251 LGQPIFPGDS261 GVDQLVEIIK271 VLGTPREQIR282 EMNPNFKFPQ295 IKAHPWTKVF 305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD345 PNVKLPNGRD 355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .65A or .65A2 or .65A3 or :365A;style chemicals stick;color identity;select .A:62 or .A:63 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one | Ligand Info | |||||
| Structure Description | Glycogen Synthase Kinase 3 beta Complexed with BRD0705 | PDB:5KPL | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [22] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSKKDEVY127 LNLVLDYVPE137 TVYRVARHYS 147 RAKQTLPVIY157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL187 LLDPDTAVLK 197 LCDFGSAKQL207 VRGEPNVSIC218 SRYYRAPELI228 FGATDYTSSI238 DVWSAGCVLA 248 ELLLGQPIFP258 GDSGVDQLVE268 IIKVLGTPTR278 EQIREMNPPQ295 IKAHPWTKVF 305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD345 PNVKLPNGRD 355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHARI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6VL or .6VL2 or .6VL3 or :36VL;style chemicals stick;color identity;select .A:62 or .A:70 or .A:71 or .A:83 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: CID 135567205 | Ligand Info | |||||
| Structure Description | Glycogen Synthase Kinase 3 beta Complexed with BRD3731 | PDB:5KPM | ||||
| Method | X-ray diffraction | Resolution | 2.69 Å | Mutation | No | [22] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGDEVYL128 NLVLDYVPET138 VYRVARHYSR 148 AKQTLPVIYV158 KLYMYQLFRS168 LAYIHSFGIC178 HRDIKPQNLL188 LDPDTAVLKL 198 CDFGSAKQLV208 RGEPNVSICS219 RYYRAPELIF229 GATDYTSSID239 VWSAGCVLAE 249 LLLGQPIFPG259 DSGVDQLVEI269 IKVLGTPTRE279 QIREMNPNYT289 EFKFPQIKAH 299 PWTKVFRPRT309 PPEAIALCSR319 LLEYTPTARL329 TPLEACAHSF339 FDELRDPNVK 349 LPNGRDTPAL359 FNFTTQELSS369 NPPLATILIP379 PHAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6VM or .6VM2 or .6VM3 or :36VM;style chemicals stick;color identity;select .A:62 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2r)-2-(1h-Indol-3-Ylmethyl)-1,4-Dihydropyrido[2,3-B]pyrazin-3(2h)-One | Ligand Info | |||||
| Structure Description | Crystal Structure of GSK3b in complex with inhibitor 15R | PDB:4J1R | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [24] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSDEVYLN129 LVLDYVPETV139 YRVARHYSRA 149 KQTLPVIYVK159 LYMYQLFRSL169 AYIHSFGICH179 RDIKPQNLLL189 DPDTAVLKLC 199 DFGSAKQLVR209 GEPNVSICSR220 YYRAPELIFG230 ATDYTSSIDV240 WSAGCVLAEL 250 LLGQPIFPGD260 SGVDQLVEII270 KVLGTPTREQ280 IREMNPNYTE290 FKFPQIKAHP 300 WTKVFRPRTP310 PEAIALCSRL320 LEYTPTARLT330 PLEACAHSFF340 DELRDPNVKL 350 PNGRDTPALF360 NFTTQELSSN370 PPLATILIPP380 HAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I5R or .I5R2 or .I5R3 or :3I5R;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:67 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:188 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(4-Hydroxy-3-Methylphenyl)-6-Phenylpyrimidin-2(5h)-One | Ligand Info | |||||
| Structure Description | 6-Amino-4-(pyrimidin-4-yl)pyridones: Novel Glycogen Synthase Kinase-3 Inhibitors | PDB:3Q3B | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [25] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEVYL128 NLVLDYVPET138 VYRVARHYSR 148 AKQTLPVIYV158 KLYMYQLFRS168 LAYIHSFGIC178 HRDIKPQNLL188 LDPDTAVLKL 198 CDFGSAKQLV208 RGEPNVSYIC218 SRYYRAPELI228 FGATDYTSSI238 DVWSAGCVLA 248 ELLLGQPIFP258 GDSGVDQLVE268 IIKVLGTPTR278 EQIREMNPNK292 FPQIKAHPWT 302 KVFRPRTPPE312 AIALCSRLLE322 YTPTARLTPL332 EACAHSFFDE342 LRDPNVKLPN 352 GRDTPALFNF362 TTQELSSNPP372 LATILIPPHA382 RIQA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .55E or .55E2 or .55E3 or :355E;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:188 or .A:199 or .A:200 or .A:201; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[(1s)-2-Hydroxy-1-Phenylethyl]-4-[5-Methyl-2-(Phenylamino)pyrimidin-4-Yl]-1h-Pyrrole-2-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of GSK3b in complex with a pyrimidylpyrrole inhibitor | PDB:3I4B | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [26] |
| PDB Sequence |
SMKVSRDGSK
36 VTTVVATPGQ46 GPDRPQEVSY56 TDTKVIGNGS66 FGVVYQAKLC76 DSGELVAIKK 86 VLQDKRFKNR96 ELQIMRKLDH106 CNIVRLRYFF116 YSSGEKKDEV126 YLNLVLDYVP 136 ETVYRVARHY146 SRAKQTLPVI156 YVKLYMYQLF166 RSLAYIHSFG176 ICHRDIKPQN 186 LLLDPDTAVL196 KLCDFGSAKQ206 LVRGEPNVSY216 ICSRYYRAPE226 LIFGATDYTS 236 SIDVWSAGCV246 LAELLLGQPI256 FPGDSGVDQL266 VEIIKVLGTP276 TREQIREMNP 286 NYTEFKFPQI296 KAHPWTKVFR306 PRTPPEAIAL316 CSRLLEYTPT326 ARLTPLEACA 336 HSFFDELRDP346 NVKLPNGRDT356 PALFNFTTQE366 LSSNPPLATI376 LIPPHARIQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z48 or .Z482 or .Z483 or :3Z48;style chemicals stick;color identity;select .A:62 or .A:64 or .A:65 or .A:66 or .A:67 or .A:68 or .A:69 or .A:70 or .A:83 or .A:85 or .A:86 or .A:87 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE62
3.910
ASN64
3.722
GLY65
3.446
SER66
3.503
PHE67
4.723
GLY68
3.679
VAL69
3.868
VAL70
3.439
ALA83
3.615
LYS85
2.889
LYS86
4.981
VAL87
3.939
GLU97
4.749
VAL110
4.024
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| Ligand Name: (4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one | Ligand Info | |||||
| Structure Description | 3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3 | PDB:3L1S | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [27] |
| PDB Sequence |
SMKVSRDSKV
37 TTVVATPGQG47 PDRPQEVSYT57 DTKVIGNGSF67 GVVYQAKLCD77 SGELVAIKKV 87 LQDKRFKNRE97 LQIMRKLDHC107 NIVRLRYFFY117 SVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SYICSRYYRA224 PELIFGATDY234 TSSIDVWSAG 244 CVLAELLLGQ254 PIFPGDSGVD264 QLVEIIKVLG274 TPTREQIREM284 NPWTKVFRPR 308 TPPEAIALCS318 RLLEYTPTAR328 LTPLEACAHS338 FFDELRDPNV348 KLPNGRDTPA 358 LFNFTTQELS368 SNPPLATILI378 PPHARI
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z92 or .Z922 or .Z923 or :3Z92;style chemicals stick;color identity;select .A:62 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:101 or .A:110 or .A:130 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:188 or .A:199 or .A:200 or .A:201; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE62
3.631
PHE67
4.522
VAL70
3.671
ALA83
3.311
LYS85
2.104
GLU97
3.519
MET101
4.190
VAL110
3.374
LEU130
4.766
LEU132
3.371
ASP133
2.362
|
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| Ligand Name: 6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine | Ligand Info | |||||
| Structure Description | Gsk-3beta with inhibitor 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine | PDB:4IQ6 | ||||
| Method | X-ray diffraction | Resolution | 3.12 Å | Mutation | No | [28] |
| PDB Sequence |
VTTVVATPGQ
46 GPDRPQEVSY56 TDTKVIGNGS66 FGVVYQAKLC76 DSGELVAIKK86 VLQDKRFKNR 96 ELQIMRKLDH106 CNIVRLRYFF116 YSYLNLVLDY134 VPETVYRVAR144 HYSRAKQTLP 154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA194 VLKLCDFGSA 204 KQLVRGEPNV214 SYICSRYYRA224 PELIFGATDY234 TSSIDVWSAG244 CVLAELLLGQ 254 PIFPGDSGVD264 QLVEIIKVLG274 TPTREQIREM284 NPWTKVFRPR308 TPPEAIALCS 318 RLLEYTPTAR328 LTPLEACAHS338 FFDELRDPNV348 KLPNGRDTPA358 LFNFTTQELS 368 SNPPLATILI378 PPHA
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IQ6 or .IQ62 or .IQ63 or :3IQ6;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:65 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:101 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200 or .A:201; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE62
3.658
GLY63
3.683
ASN64
4.548
GLY65
4.837
PHE67
3.657
VAL70
4.257
ALA83
3.627
LYS85
2.983
GLU97
3.431
MET101
4.018
VAL110
3.912
|
|||||
| Ligand Name: (3z)-N,N-Diethyl-3-[(3e)-3-(Hydroxyimino)-1,3-Dihydro-2h-Indol-2-Ylidene]-2-Oxo-2,3-Dihydro-1h-Indole-5-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human glycogen synthase kinase 3 beta (GSK3b) in complex with inhibitor 142 | PDB:3SAY | ||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | No | [29] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYFKFPQIK 297 AHPWTKVFRP307 RTPPEAIALC317 SRLLEYTPTA327 RLTPLEACAH337 SFFDELRDPN 347 VKLPNGRDTP357 ALFNFTTQEL367 SSNPPLATIL377 IPPHARI
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OFT or .OFT2 or .OFT3 or :3OFT;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE62
4.129
GLY63
4.827
ASN64
4.334
PHE67
3.689
VAL70
3.366
ALA83
3.459
LYS85
3.043
GLU97
4.777
VAL110
4.778
LEU132
3.259
ASP133
3.117
|
|||||
| Ligand Name: N-[4-(Isoquinolin-7-Yl)pyridin-2-Yl]cyclopropanecarboxamide | Ligand Info | |||||
| Structure Description | Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b | PDB:4PTE | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [30] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDFKNRE 97 LQIMRKLDHC107 NIVRLRYFFY117 SSDEVYLNLV131 LDYVPETVYR141 VARHYSRAKQ 151 TLPVIYVKLY161 MYQLFRSLAY171 IHSFGICHRD181 IKPQNLLLDP191 DTAVLKLCDF 201 GSAKQLVRGE211 PNVSYICSRY221 YRAPELIFGA231 TDYTSSIDVW241 SAGCVLAELL 251 LGQPIFPGDS261 GVDQLVEIIK271 VLGTPTREQI281 REMNPNYTEF291 KFPQIKAHPW 301 TKVFRPRTPP311 EAIALCSRLL321 EYTPTARLTP331 LEACAHSFFD341 ELRDPNVKLP 351 NGRDTPALFN361 FTTQELSSNP371 PLATILIPPH381 A
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2WF or .2WF2 or .2WF3 or :32WF;style chemicals stick;color identity;select .A:62 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:188 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-{2-[(Cyclopropylcarbonyl)amino]pyridin-4-Yl}-4-Methoxypyrimidine-5-Carboxamide | Ligand Info | |||||
| Structure Description | Structure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) to GSK3b | PDB:4PTG | ||||
| Method | X-ray diffraction | Resolution | 2.36 Å | Mutation | No | [30] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSEVYLNLV131 LDYVPETVYR141 VARHYSRAKQ 151 TLPVIYVKLY161 MYQLFRSLAY171 IHSFGICHRD181 IKPQNLLLDP191 DTAVLKLCDF 201 GSAKQLVRGE211 PNVSYICSRY221 YRAPELIFGA231 TDYTSSIDVW241 SAGCVLAELL 251 LGQPIFPGDS261 GVDQLVEIIK271 VLGTPTREQI281 REMFPQIKAH299 PWTKVFRPRT 309 PPEAIALCSR319 LLEYTPTARL329 TPLEACAHSF339 FDELRDPNVK349 LPNGRDTPAL 359 FNFTTQELSS369 NPPLATILIP379 PHA
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2WG or .2WG2 or .2WG3 or :32WG;style chemicals stick;color identity;select .A:62 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:188 or .A:199 or .A:200 or .A:201; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: GSK-3beta inhibitor 2 | Ligand Info | |||||
| Structure Description | Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b | PDB:4PTC | ||||
| Method | X-ray diffraction | Resolution | 2.71 Å | Mutation | No | [30] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSDEVYLN129 LVLDYVPETV139 YRVARHYSRA 149 KQTLPVIYVK159 LYMYQLFRSL169 AYIHSFGICH179 RDIKPQNLLL189 DPDTAVLKLC 199 DFGSAKQLVR209 GEPNVSYICS219 RYYRAPELIF229 GATDYTSSID239 VWSAGCVLAE 249 LLLGQPIFPG259 DSGVDQLVEI269 IKVLGTPTRE279 QIREMNPNYT289 EFKFPQIKAH 299 PWTKVFRPRT309 PPEAIALCSR319 LLEYTPTARL329 TPLEACAHSF339 FDELRDPNVK 349 LPNGRDTPAL359 FNFTTQELSS369 NPPLATILIP379 PH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2WE or .2WE2 or .2WE3 or :32WE;style chemicals stick;color identity;select .A:62 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:188 or .A:199 or .A:200 or .A:201; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[3-(2,3-Dihydroxy-propylamino)-phenyl]-4-(5-fluoro-1-methyl-1H-indol-3-YL)-pyrrole-2,5-dione | Ligand Info | |||||
| Structure Description | Glycogen synthase kinase-3 beta in complex with 3-indolyl-4-arylmaleimide inhibitor | PDB:1R0E | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [31] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSEVYLN129 LVLDYVPETV139 YRVARHYSRA 149 KQTLPVIYVK159 LYMYQLFRSL169 AYIHSFGICH179 RDIKPQNLLL189 DPDTAVLKLC 199 DFGSAKQLVR209 GEPNVSYICS219 RYYRAPELIF229 GATDYTSSID239 VWSAGCVLAE 249 LLLGQPIFPG259 DSGVDQLVEI269 IKVLGTPTRE279 QIREMNPNYT289 EFKFPQIKAH 299 PWTKVFRPRT309 PPEAIALCSR319 LLEYTPTARL329 TPLEACAHSF339 FDELRDPNVK 349 LPNGRDTPAL359 FNFTTQELSS369 NPPLATILIP379 PHAR
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DFN or .DFN2 or .DFN3 or :3DFN;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:67 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(Pyridin-3-Yl)-2-(Thiophen-3-Yl)-3h-Imidazo[4,5-B]pyridine-7-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of GSK3beta in complex with a Imidazopyridine inhibitor | PDB:4DIT | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [32] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSDEVYL128 NLVLDYVPET138 VYRVARHYSR 148 AKQTLPVIYV158 KLYMYQLFRS168 LAYIHSFGIC178 HRDIKPQNLL188 LDPDTAVLKL 198 CDFGSAKQLV208 RGEPNVSYYR223 APELIFGATD233 YTSSIDVWSA243 GCVLAELLLG 253 QPIFPGDSGV263 DQLVEIIKVL273 GTPTREQIRE283 MWTKVFRPRT309 PPEAIALCSR 319 LLEYTPTARL329 TPLEACAHSF339 FDELRDPNVK349 LPNGRDTPAL359 FNFTTQELSS 369 NPPLATILIP379 PHARIQAA
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0KD or .0KD2 or .0KD3 or :30KD;style chemicals stick;color identity;select .A:62 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Amino-6-(4-{[2-(Dimethylamino)ethyl]sulfamoyl}phenyl)-N-Pyridin-3-Ylpyrazine-2-Carboxamide | Ligand Info | |||||
| Structure Description | GSK3b in complex with inhibitor | PDB:4ACC | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [7] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SYICSRYYRA224 PELIFGATDY234 TSSIDVWSAG 244 CVLAELLLGQ254 PIFPGDSGVD264 QLVEIIKVLG274 TPTREQIREM284 NPNYTEFKFP 294 QIKAHPWTKV304 FRPRTPPEAI314 ALCSRLLEYT324 PTARLTPLEA334 CAHSFFDELR 344 DPNVKLPNGR354 DTPALFNFTT364 QELSSNPPLA374 TILIPPHARI384 Q |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7YG or .7YG2 or .7YG3 or :37YG;style chemicals stick;color identity;select .A:62 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:186 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Amino-5-{4-[(4-Methylpiperazin-1-Yl)sulfonyl]phenyl}-N-[4-(Pyrrolidin-1-Ylmethyl)pyridin-3-Yl]pyridine-3-Carboxamide | Ligand Info | |||||
| Structure Description | GSK3b in complex with inhibitor | PDB:4ACG | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [7] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SYICSRYYRA224 PELIFGATDY234 TSSIDVWSAG 244 CVLAELLLGQ254 PIFPGDSGVD264 QLVEIIKVLG274 TPTREQIREM284 NPNYTEFKFP 294 QIKAHPWTKV304 FRPRTPPEAI314 ALCSRLLEYT324 PTARLTPLEA334 CAHSFFDELR 344 DPNVKLPNGR354 DTPALFNFTT364 QELSSNPPLA374 TILIPPHARI384 Q |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6LQ or .6LQ2 or .6LQ3 or :36LQ;style chemicals stick;color identity;select .A:62 or .A:63 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE62
3.499
GLY63
4.236
PHE67
3.943
VAL70
3.694
ALA83
3.480
LYS85
3.038
GLU97
4.800
VAL110
3.651
LEU132
3.485
ASP133
2.836
TYR134
3.583
|
|||||
| Ligand Name: 3-Amino-N-(3-Methoxypropyl)-6-{4-[(4-Methylpiperazin-1-Yl)sulfonyl]phenyl}pyrazine-2-Carboxamide | Ligand Info | |||||
| Structure Description | GSK3b in complex with inhibitor | PDB:4ACH | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [7] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SYICSRYYRA224 PELIFGATDY234 TSSIDVWSAG 244 CVLAELLLGQ254 PIFPGDSGVD264 QLVEIIKVLG274 TPTREQIREM284 NPNYTEFKFP 294 QIKAHPWTKV304 FRPRTPPEAI314 ALCSRLLEYT324 PTARLTPLEA334 CAHSFFDELR 344 DPNVKLPNGR354 DTPALFNFTT364 QELSSNPPLA374 TILIPPHARI384 Q |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KDI or .KDI2 or .KDI3 or :3KDI;style chemicals stick;color identity;select .A:62 or .A:70 or .A:83 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(2,4-Dichloro-Phenyl)-7-Hydroxy-1h-Benzoimidazole-4-Carboxylic Acid [2-(4-Methanesulfonylamino-Phenyl)-Ethyl]-Amide | Ligand Info | |||||
| Structure Description | Crystal Structure of GSK3beta in complex with a benzoimidazol inhibitor | PDB:2O5K | ||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [33] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SYICSRYYRA224 PELIFGATDY234 TSSIDVWSAG 244 CVLAELLLGQ254 PIFPGDSGVD264 QLVEIIKVLG274 TPTREQIREM284 NPNYTEFKFP 294 QIKAHPWTKV304 FRPRTPPEAI314 ALCSRLLEYT324 PTARLTPLEA334 CAHSFFDELR 344 DPNVKLPNGR354 DTPALFNFTT364 QELSSNPPLA374 TILIPPHARI384 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HBM or .HBM2 or .HBM3 or :3HBM;style chemicals stick;color identity;select .A:62 or .A:63 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:140 or .A:141 or .A:183 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200 or .A:220; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE62
3.533
GLY63
3.816
VAL70
3.766
ALA83
3.304
LYS85
3.720
VAL110
3.965
LEU132
4.115
ASP133
2.513
TYR134
3.110
VAL135
3.139
PRO136
2.971
|
|||||
| Ligand Name: 2-(4-Pyridinyl)furo[3,2-C]pyridin-4(5h)-One | Ligand Info | |||||
| Structure Description | Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors | PDB:3ZRK | ||||
| Method | X-ray diffraction | Resolution | 2.37 Å | Mutation | No | [34] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSKKDEVY127 LNLVLDYVPE137 TVYRVARHYS 147 RAKQTLPVIY157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL187 LLDPDTAVLK 197 LCDFGSAKQL207 VRGEPNVSIC218 SRYYRAPELI228 FGATDYTSSI238 DVWSAGCVLA 248 ELLLGQPIFP258 GDSGVDQLVE268 IIKVLGTPTR278 EQIREMNPNY288 TEFKFPQIKA 298 HPWTKVFRPR308 TPPEAIALCS318 RLLEYTPTAR328 LTPLEACAHS338 FFDELRDPNV 348 KLPNGRDTPA358 LFNFTTQELS368 SNPPLATILI378 PPHARI
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZRK or .ZRK2 or .ZRK3 or :3ZRK;style chemicals stick;color identity;select .A:62 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:188 or .A:199 or .A:200 or .A:201; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 7-Bromo-2-Pyridin-4-Yl-5h-Thieno[3,2-C]pyridin-4-One | Ligand Info | |||||
| Structure Description | Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors | PDB:3ZRL | ||||
| Method | X-ray diffraction | Resolution | 2.48 Å | Mutation | No | [34] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSKKDEVY127 LNLVLDYVPE137 TVYRVARHYS 147 RAKQTLPVIY157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL187 LLDPDTAVLK 197 LCDFGSAKQL207 VRGEPNVSIC218 SRYYRAPELI228 FGATDYTSSI238 DVWSAGCVLA 248 ELLLGQPIFP258 GDSGVDQLVE268 IIKVLGTPTR278 EQIREMNPNY288 TEFKFPQIKA 298 HPWTKVFRPR308 TPPEAIALCS318 RLLEYTPTAR328 LTPLEACAHS338 FFDELRDPNV 348 KLPNGRDTPA358 LFNFTTQELS368 SNPPLATILI378 PPHARIQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZRL or .ZRL2 or .ZRL3 or :3ZRL;style chemicals stick;color identity;select .A:62 or .A:63 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:188 or .A:199 or .A:200 or .A:201; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 7-(4-Hydroxyphenyl)-2-Pyridin-4-Yl-5h-Thieno[3,2-C]pyridin-4-One | Ligand Info | |||||
| Structure Description | Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors | PDB:3ZRM | ||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [34] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSKKDEVY127 LNLVLDYVPE137 TVYRVARHYS 147 RAKQTLPVIY157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL187 LLDPDTAVLK 197 LCDFGSAKQL207 VRGEPNVSIC218 SRYYRAPELI228 FGATDYTSSI238 DVWSAGCVLA 248 ELLLGQPIFP258 GDSGVDQLVE268 IIKVLGTPTR278 EQIREMNPNY288 TEFKFPQIKA 298 HPWTKVFRPR308 TPPEAIALCS318 RLLEYTPTAR328 LTPLEACAHS338 FFDELRDPNV 348 KLPNGRDTPA358 LFNFTTQELS368 SNPPLATILI378 PPHAR
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZRM or .ZRM2 or .ZRM3 or :3ZRM;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:188 or .A:199 or .A:200 or .A:201; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 5-(3-Chloranyl-4-Methoxy-Phenyl)-~{n}-[3-(1,2,4-Triazol-1-Yl)propyl]-1,3-Oxazole-4-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of GSK-3beta complexed with PF-04802367, a highly selective brain-penetrant kinase inhibitor | PDB:5K5N | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [35] |
| PDB Sequence |
KVTTVVATPG
45 DRPQEVSYTD58 TKVIGNGSFG68 VVYQAKLCDS78 GELVAIKKVL88 QNRELQIMRK 103 LDHCNIVRLR113 YFFYSSDEVY127 LNLVLDYVPE137 TVYRVARHYS147 RAKQTLPVIY 157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL187 LLDPDTAVLK197 LCDFGSAKQL 207 VRGEPNVSIC218 SRYYRAPELI228 FGATDYTSSI238 DVWSAGCVLA248 ELLLGQPIFP 258 GDSGVDQLVE268 IIKVLGTPTR278 EQIREMNPNY288 TFPQIKAHPW301 TKVFRPRTPP 311 EAIALCSRLL321 EYTPTARLTP331 LEACAHSFFD341 ELRDPNVKLP351 NGRDTPALFN 361 FTTQELSSNP371 PLATILIPPH381 A
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6QH or .6QH2 or .6QH3 or :36QH;style chemicals stick;color identity;select .A:62 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:186 or .A:188 or .A:199 or .A:200 or .A:201; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(4-Methoxyphenyl)-N-(Pyridin-4-Ylmethyl)-1,3-Oxazole-4-Carboxamide | Ligand Info | |||||
| Structure Description | 5-aryl-4-carboxamide-1,3-oxazoles: potent and selective GSK-3 inhibitors | PDB:4AFJ | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [9] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQFKNREL 98 QIMRKLDHCN108 IVRLRYFFYS118 SKKDEVYLNL130 VLDYVPETVY140 RVARHYSRAK 150 QTLPVIYVKL160 YMYQLFRSLA170 YIHSFGICHR180 DIKPQNLLLD190 PDTAVLKLCD 200 FGSAKQLVRG210 EPNVSICSRY221 YRAPELIFGA231 TDYTSSIDVW241 SAGCVLAELL 251 LGQPIFPGDS261 GVDQLVEIIK271 VLGTPTREQI281 REMNPNYTEF291 KFPQIKAHPW 301 TKVFRPRTPP311 EAIALCSRLL321 EYTPTARLTP331 LEACAHSFFD341 ELRDPNVKLP 351 NGRDTPALFN361 FTTQELSSNP371 PLATILIPPH381 ARI
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SJJ or .SJJ2 or .SJJ3 or :3SJJ;style chemicals stick;color identity;select .A:62 or .A:67 or .A:70 or .A:72 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile | Ligand Info | |||||
| Structure Description | GSK3-beta in complex with compound (S)-5c | PDB:7B6F | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [36] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 ICSRYYRAPE226 LIFGATDYTS236 SIDVWSAGCV 246 LAELLLGQPI256 FPGDSGVDQL266 VEIIKVLGTP276 TREQIREMNP286 NYTEFKFPQI 296 KAHPWTKVFR306 PRTPPEAIAL316 CSRLLEYTPT326 ARLTPLEACA336 HSFFDELRDP 346 NVKLPNGRDT356 PALFNFTTQE366 LSSNPPLATI376 LIPPHA
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SZW or .SZW2 or .SZW3 or :3SZW;style chemicals stick;color identity;select .A:62 or .A:63 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:101 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:138 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 2-Methyl-5-(3-{4-[(S)-Methylsulfinyl]phenyl}-1-Benzofuran-5-Yl)-1,3,4-Oxadiazole | Ligand Info | |||||
| Structure Description | GSK3beta inhibitor complex | PDB:3GB2 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [37] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSEVYLN129 LVLDYVPETV139 YRVARHYSRA 149 KQTLPVIYVK159 LYMYQLFRSL169 AYIHSFGICH179 RDIKPQNLLL189 DPDTAVLKLC 199 DFGSAKQLVR209 GEPNVSICSR220 YYRAPELIFG230 ATDYTSSIDV240 WSAGCVLAEL 250 LLGQPIFPGD260 SGVDQLVEII270 KVLGTPTREQ280 IREMNPEFKF293 PQIKAHPWTK 303 VFRPRTPPEA313 IALCSRLLEY323 TPTARLTPLE333 ACAHSFFDEL343 RDPNVKLPNG 353 RDTPALFNFT363 TQELSSNPPL373 ATILIPPHAR383
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G3B or .G3B2 or .G3B3 or :3G3B;style chemicals stick;color identity;select .A:62 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:188 or .A:199 or .A:200 or .A:201; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Bis-(Indole)maleimide Pyridinophane | Ligand Info | |||||
| Structure Description | Glycogen synthase kinase-3 beta in complex with bis-(indole)maleimide pyridinophane inhibitor | PDB:2OW3 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [38] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSKDEVYL128 NLVLDYVPET138 VYRVARHYSR 148 AKQTLPVIYV158 KLYMYQLFRS168 LAYIHSFGIC178 HRDIKPQNLL188 LDPDTAVLKL 198 CDFGSAKQLV208 RGEPNVSICS219 RYYRAPELIF229 GATDYTSSID239 VWSAGCVLAE 249 LLLGQPIFPG259 DSGVDQLVEI269 IKVLGTPTRE279 QIREMNPNYT289 EFKFPQIKAH 299 PWTKVFRPRT309 PPEAIALCSR319 LLEYTPTARL329 TPLEACAHSF339 FDELRDPNVK 349 LPNGRDTPAL359 FNFTTQELSS369 NPPLATILIP379 PHARIQ
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BIM or .BIM2 or .BIM3 or :3BIM;style chemicals stick;color identity;select .A:62 or .A:63 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE62
3.558
GLY63
3.999
PHE67
3.668
VAL70
4.097
ALA83
3.896
LYS85
3.909
GLU97
4.770
VAL110
3.839
LEU132
4.153
ASP133
3.330
TYR134
3.546
|
|||||
| Ligand Name: 2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine | Ligand Info | |||||
| Structure Description | Crystal structure of GSK3Beta in complex with ARN25068 | PDB:7OY5 | ||||
| Method | X-ray diffraction | Resolution | 2.57 Å | Mutation | No | [39] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSKDEVY127 LNLVLDYVPE137 TVYRVARHYS 147 RAKQTLPVIY157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL187 LLDPDTAVLK 197 LCDFGSAKQL207 VRGEPNVSYI217 CSRYYRAPEL227 IFGATDYTSS237 IDVWSAGCVL 247 AELLLGQPIF257 PGDSGVDQLV267 EIIKVLGTPT277 REQIREMNFK292 FPQIKAHPWT 302 KVFRPRTPPE312 AIALCSRLLE322 YTPTARLTPL332 EACAHSFFDE342 LRDPNVKLPN 352 GRDTPALFNF362 TTQELSSNPP372 LATILIPPHA382 RIQ
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .39I or .39I2 or .39I3 or :339I;style chemicals stick;color identity;select .A:62 or .A:63 or .A:67 or .A:70 or .A:83 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[2-Amino-5-(4-fluorophenyl)pyrimidin-4-YL]-N,N-dimethylazetidine-1-sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human GSK3B in complex with ARN9133 | PDB:7U33 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [40] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 YICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTEFKFPQ 295 IKAHPWTKVF305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD 345 PNVKLPNGRD355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHARIQ385 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L7R or .L7R2 or .L7R3 or :3L7R;style chemicals stick;color identity;select .A:62 or .A:63 or .A:67 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3S)-1-[(2-fluorophenoxy)acetyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human GSK3B in complex with ARN1484 | PDB:7U36 | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [40] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 YICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTEFKFPQ 295 IKAHPWTKVF305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD 345 PNVKLPNGRD355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHARIQ385 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L7W or .L7W2 or .L7W3 or :3L7W;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:70 or .A:83 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:188; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16 | PDB:6Y9S | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [41] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNFPQIKAHP 300 WTKVFRPRTP310 PEAIALCSRL320 LEYTPTARLT330 PLEACAHSFF340 DELRDPNVKL 350 PNGRDTPALF360 NFTTQELSSN370 PPLATILIPP380 HAR
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OHK or .OHK2 or .OHK3 or :3OHK;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:67 or .A:70 or .A:72 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:183 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE62
3.673
GLY63
4.097
ASN64
4.108
PHE67
3.518
VAL70
3.912
GLN72
4.979
ALA83
3.416
LYS85
2.826
GLU97
4.978
VAL110
4.318
LEU132
3.538
ASP133
3.320
|
|||||
| Ligand Name: N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxypyridin-3-yl)-1H-indazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of GSK-3b in complex with the 1H-indazole-3-carboxamide inhibitor 2 | PDB:6Y9R | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [41] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTEFKFPQ 295 IKAHPWTKVF305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD 345 PNVKLPNGRD355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHARI
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OH8 or .OH82 or .OH83 or :3OH8;style chemicals stick;color identity;select .A:60 or .A:62 or .A:63 or .A:64 or .A:67 or .A:70 or .A:72 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS60
3.427
ILE62
4.439
GLY63
3.903
ASN64
3.807
PHE67
3.751
VAL70
3.894
GLN72
4.988
ALA83
3.518
LYS85
2.974
GLU97
4.818
VAL110
4.221
LEU132
3.765
|
|||||
| Ligand Name: 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of GSK-3B in complex with pyrazine inhibitor C44 | PDB:6HK3 | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [42] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTEFKFPQ 295 IKAHPWTKVF305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD 345 PNVKLPNGRD355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHARI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G8B or .G8B2 or .G8B3 or :3G8B;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:188 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(4-Fluorophenyl)-4-[1-(methanesulfonyl)azetidin-3-yl]pyrimidin-2-amine | Ligand Info | |||||
| Structure Description | Crystal structure of human GSK3B in complex with G5 | PDB:7U31 | ||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [40] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 YICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTEFKFPQ 295 IKAHPWTKVF305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD 345 PNVKLPNGRD355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHARIQ385 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L7I or .L7I2 or .L7I3 or :3L7I;style chemicals stick;color identity;select .A:62 or .A:67 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(1,3-Benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole | Ligand Info | |||||
| Structure Description | X-ray Co-Crystal Structure of Glycogen Synthase Kinase 3beta in Complex with an Inhibitor | PDB:3F7Z | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [43] |
| PDB Sequence |
LSKVTTVVAT
43 PGQGPDRPQE53 VSYTDTKVIG63 NGSFGVVYQA73 KLCDSGELVA83 IKKVLQDKRF 93 KNRELQIMRK103 LDHCNIVRLR113 YFFYSSGEEV126 YLNLVLDYVP136 ETVYRVARHY 146 SRAKQTLPVI156 YVKLYMYQLF166 RSLAYIHSFG176 ICHRDIKPQN186 LLLDPDTAVL 196 KLCDFGSAKQ206 LVRGEPNVSI217 CSRYYRAPEL227 IFGATDYTSS237 IDVWSAGCVL 247 AELLLGQPIF257 PGDSGVDQLV267 EIIKVLGTPT277 REQIREMNPN287 QIKAHPWTKV 304 FRPRTPPEAI314 ALCSRLLEYT324 PTARLTPLEA334 CAHSFFDELR344 DPNVKLPNGR 354 DTPALFNFTT364 QELSSNPPLA374 TILIPPHAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .34O or .34O2 or .34O3 or :334O;style chemicals stick;color identity;select .A:62 or .A:63 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:138 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200 or .A:201; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-amino-6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of GSK-3B in complex with pyrazine inhibitor C22 | PDB:6HK4 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [42] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTEFKFPQ 295 IKAHPWTKVF305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD 345 PNVKLPNGRD355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHARI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G8E or .G8E2 or .G8E3 or :3G8E;style chemicals stick;color identity;select .A:60 or .A:62 or .A:64 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[(Cyclopropylcarbonyl)amino]-N-(4-Methoxypyridin-3-Yl)pyridine-4-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of GSK3b in complex with Compound 15: 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide | PDB:5F94 | ||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | No | [44] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 YICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTEFKFPQ 295 IKAHPWTKVF305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD 345 PNVKLPNGRD355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3UO or .3UO2 or .3UO3 or :33UO;style chemicals stick;color identity;select .A:62 or .A:63 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:186 or .A:188 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[(Cyclopropylcarbonyl)amino]-N-(4-Phenylpyridin-3-Yl)pyridine-4-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of GSK3b in complex with Compound 18: 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide | PDB:5F95 | ||||
| Method | X-ray diffraction | Resolution | 2.52 Å | Mutation | No | [44] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 YICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNFKFPQIKA 298 HPWTKVFRPR308 TPPEAIALCS318 RLLEYTPTAR328 LTPLEACAHS338 FFDELRDPNV 348 KLPNGRDTPA358 LFNFTTQELS368 SNPPLATILI378 PPHAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3UP or .3UP2 or .3UP3 or :33UP;style chemicals stick;color identity;select .A:62 or .A:63 or .A:67 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3,6-Diamino-4-(2-Chlorophenyl)thieno[2,3-B]pyridine-2,5-Dicarbonitrile | Ligand Info | |||||
| Structure Description | Glycogen Synthase Kinase 3 Beta complexed with Axin Peptide and Inhibitor 7d | PDB:3ZDI | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [45] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 ICSRYYRAPE226 LIFGATDYTS236 SIDVWSAGCV 246 LAELLLGQPI256 FPGDSGVDQL266 VEIIKVLGTP276 TREQIREMNP286 NYTEFKFPQI 296 KAHPWTKVFR306 PRTPPEAIAL316 CSRLLEYTPT326 ARLTPLEACA336 HSFFDELRDP 346 NVKLPNGRDT356 PALFNFTTQE366 LSSNPPLATI376 LIPPHARI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UGJ or .UGJ2 or .UGJ3 or :3UGJ;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:65 or .A:66 or .A:70 or .A:83 or .A:85 or .A:97 or .A:132 or .A:134 or .A:135 or .A:138 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200 or .A:201; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(5-Fluoro-6-Iodo-1-Methyl-1h-Indol-3-Yl)-4-(7-Methoxy-1-Benzofuran-3-Yl)-1h-Pyrrole-2,5-Dione | Ligand Info | |||||
| Structure Description | Identification of a Glycogen Synthase Kinase-3b Inhibitor that Attenuates Hyperactivity in CLOCK Mutant Mice | PDB:3SD0 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [46] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SYICSRYYRA224 PELIFGATDY234 TSSIDVWSAG 244 CVLAELLLGQ254 PIFPGDSGVD264 QLVEIIKVLG274 TPTREQIREM284 NPNYTEFKFP 294 QIKAHPWTKV304 FRPRTPPEAI314 ALCSRLLEYT324 PTARLTPLEA334 CAHSFFDELR 344 DPNVKLPNGR354 DTPALFNFTT364 QELSSNPPLA374 TILIPPHARI384 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TSK or .TSK2 or .TSK3 or :3TSK;style chemicals stick;color identity;select .A:62 or .A:63 or .A:67 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (5z)-5-(1,3-Benzodioxol-5-Ylmethylidene)-3-Methyl-2-(Propan-2-Ylamino)imidazol-4-One | Ligand Info | |||||
| Structure Description | Glycogen Synthase Kinase 3 Beta complexed with Axin Peptide and Leucettine L4 | PDB:4B7T | ||||
| Method | X-ray diffraction | Resolution | 2.77 Å | Mutation | No | [47] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SYICSRYYRA224 PELIFGATDY234 TSSIDVWSAG 244 CVLAELLLGQ254 PIFPGDSGVD264 QLVEIIKVLG274 TPTREQIREM284 NPNYTEFKFP 294 QIKAHPWTKV304 FRPRTPPEAI314 ALCSRLLEYT324 PTARLTPLEA334 CAHSFFDELR 344 DPNVKLPNGR354 DTPALFNFTT364 QELSSNPPLA374 TILIPPHARI384 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CWT or .CWT2 or .CWT3 or :3CWT;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:67 or .A:70 or .A:83 or .A:85 or .A:97 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:141 or .A:188 or .A:199 or .A:200 or .A:201; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Methylbenzonitrile | Ligand Info | |||||
| Structure Description | glycogen synthase Kinase 3beta inhibitor complex | PDB:3F88 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [43] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSVYLNL130 VLDYVPETVY140 RVARHYSRAK 150 QTLPVIYVKL160 YMYQLFRSLA170 YIHSFGICHR180 DIKPQNLLLD190 PDTAVLKLCD 200 FGSAKQLVRG210 EPNVSICSRY221 YRAPELIFGA231 TDYTSSIDVW241 SAGCVLAELL 251 LGQPIFPGDS261 GVDQLVEIIK271 VLGTPTREQI281 REMNPNEFKF293 PQIKAHPWTK 303 VFRPRTPPEA313 IALCSRLLEY323 TPTARLTPLE333 ACAHSFFDEL343 RDPNVKLPNG 353 RDTPALFNFT363 TQELSSNPPL373 ATILIPPHAR383
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2HT or .2HT2 or .2HT3 or :32HT;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:67 or .A:70 or .A:138 or .A:185 or .A:186 or .A:188 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione | Ligand Info | |||||
| Structure Description | glycogen synthase Kinase 3beta inhibitor complex | PDB:3F88 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [43] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSVYLNL130 VLDYVPETVY140 RVARHYSRAK 150 QTLPVIYVKL160 YMYQLFRSLA170 YIHSFGICHR180 DIKPQNLLLD190 PDTAVLKLCD 200 FGSAKQLVRG210 EPNVSICSRY221 YRAPELIFGA231 TDYTSSIDVW241 SAGCVLAELL 251 LGQPIFPGDS261 GVDQLVEIIK271 VLGTPTREQI281 REMNPNEFKF293 PQIKAHPWTK 303 VFRPRTPPEA313 IALCSRLLEY323 TPTARLTPLE333 ACAHSFFDEL343 RDPNVKLPNG 353 RDTPALFNFT363 TQELSSNPPL373 ATILIPPHAR383
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3HT or .3HT2 or .3HT3 or :33HT;style chemicals stick;color identity;select .A:62 or .A:63 or .A:67 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:188 or .A:199 or .A:200 or .A:201; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human GSK3B in complex with G12 | PDB:7U2Z | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [40] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSKDEVY127 LNLVLDYVPE137 TVYRVARHYS 147 RAKQTLPVIY157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL187 LLDPDTAVLK 197 LCDFGSAKQL207 VRGEPNVSYI217 CSRYYRAPEL227 IFGATDYTSS237 IDVWSAGCVL 247 AELLLGQPIF257 PGDSGVDQLV267 EIIKVLGTPT277 REQIREMNPN287 YTEFKFPQIK 297 AHPWTKVFRP307 RTPPEAIALC317 SRLLEYTPTA327 RLTPLEACAH337 SFFDELRDPN 347 VKLPNGRDTP357 ALFNFTTQEL367 SSNPPLATIL377 IPPHA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L7C or .L7C2 or .L7C3 or :3L7C;style chemicals stick;color identity;select .A:62 or .A:63 or .A:64 or .A:70 or .A:83 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:188; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-amino-N-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of GSK-3B in complex with pyrazine inhibitor C50 | PDB:6HK7 | ||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [42] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 ICSRYYRAPE226 LIFGATDYTS236 SIDVWSAGCV 246 LAELLLGQPI256 FPGDSGVDQL266 VEIIKVLGTP276 TREQIREMNP286 NYTEFKFPQI 296 KAHPWTKVFR306 PRTPPEAIAL316 CSRLLEYTPT326 ARLTPLEACA336 HSFFDELRDP 346 NVKLPNGRDT356 PALFNFTTQE366 LSSNPPLATI376 LIPPHA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G8N or .G8N2 or .G8N3 or :3G8N;style chemicals stick;color identity;select .A:62 or .A:67 or .A:70 or .A:83 or .A:85 or .A:110 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:141 or .A:185 or .A:188 or .A:199 or .A:200 or .A:201; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino)ethyl)amide | Ligand Info | |||||
| Structure Description | STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE | PDB:2JDO | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [14] |
| PDB Sequence |
GRPRTTSFAE
12
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I5S or .I5S2 or .I5S3 or :3I5S;style chemicals stick;color identity;select .C:6; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide | Ligand Info | |||||
| Structure Description | Structure of 4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin- 4-yl)piperidine-4-carboxamide bound to PKB | PDB:2X39 | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [48] |
| PDB Sequence |
GRPRTTSFAE
12
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X39 or .X392 or .X393 or :3X39;style chemicals stick;color identity;select .C:6; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine | Ligand Info | |||||
| Structure Description | Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor | PDB:3CQW | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [49] |
| PDB Sequence |
GRPRTTSFAE
10
|
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Click to Show 3D Structure of This Binding Site
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| Ligand Name: 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine | Ligand Info | |||||
| Structure Description | STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH 4-(4-chloro-phenyl)-4-(4-(1H-pyrazol-4-yl)-phenyl)-piperidine | PDB:2UW9 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [50] |
| PDB Sequence |
GRPRTTSFAE
12
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Click to Show 3D Structure of This Binding Site
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| Ligand Name: N-[(1s)-2-Amino-1-Phenylethyl]-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)thiophene-2-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | PDB:3E87 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [51] |
| PDB Sequence |
GRPRTTSFAE
12
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Click to Show 3D Structure of This Binding Site
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| Ligand Name: (3r)-1-(5-Methyl-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)pyrrolidin-3-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of Akt-1-inhibitor complexes | PDB:3MV5 | ||||
| Method | X-ray diffraction | Resolution | 2.47 Å | Mutation | Yes | [52] |
| PDB Sequence |
GRPRTTSFAE
10
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| Ligand Name: 4-[2-(4-Amino-1,2,5-Oxadiazol-3-Yl)-6-{[(2r)-2-Amino-3-Phenylpropyl]oxy}-1-Ethyl-1h-Imidazo[4,5-C]pyridin-4-Yl]-2-Methylbut-3-Yn-2-Ol | Ligand Info | |||||
| Structure Description | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | PDB:3E88 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [51] |
| PDB Sequence |
GRPRTTSFAE
12
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Click to Show 3D Structure of This Binding Site
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| Ligand Name: (2r)-3-(1h-Indol-3-Yl)-1-{4-[(5s)-5-Methyl-5,7-Dihydrothieno[3,4-D]pyrimidin-4-Yl]piperazin-1-Yl}-1-Oxopropan-2-Amine | Ligand Info | |||||
| Structure Description | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | PDB:3OW4 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [53] |
| PDB Sequence |
GRPRTTSFAE
10
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Click to Show 3D Structure of This Binding Site
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| Ligand Name: 4-[(2Z)-2-(4-amino-1,2,5-oxadiazol-3-ylidene)-6-[(1S)-3-amino-1-phenylpropoxy]-1-ethyl-3H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol | Ligand Info | |||||
| Structure Description | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | PDB:3E8D | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [51] |
| PDB Sequence |
GRPRTTSFAE
12
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Click to Show 3D Structure of This Binding Site
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| Ligand Name: 4-(4-tert-butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium | Ligand Info | |||||
| Structure Description | Structure of 4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4- yl)piperidin-4-amine bound to PKB | PDB:2XH5 | ||||
| Method | X-ray diffraction | Resolution | 2.72 Å | Mutation | Yes | [48] |
| PDB Sequence |
GRPRTTSFAE
12
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Click to Show 3D Structure of This Binding Site
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| Ligand Name: (3~{Z})-5-ethanoyl-3-[[(1-methylpiperidin-4-yl)amino]-phenyl-methylidene]-1~{H}-indol-2-one | Ligand Info | |||||
| Structure Description | Crystal Structure of Glycogen Synthase Kinase-3 beta in Complex with BI-91BS | PDB:6GJO | ||||
| Method | X-ray diffraction | Resolution | 2.91 Å | Mutation | No | [54] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SYICSRYYRA224 PELIFGATDY234 TSSIDVWSAG 244 CVLAELLLGQ254 PIFPGDSGVD264 QLVEIIKVLG274 TPTREQIREM284 NPNYTEFKFP 294 QIKAHPWTKV304 FRPRTPPEAI314 ALCSRLLEYT324 PTARLTPLEA334 CAHSFFDELR 344 DPNVKLPNGR354 DTPALFNFTT364 QELSSNPPLA374 TILIPPHAR
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ILE62
3.819
GLY63
3.664
ASN64
4.848
PHE67
3.990
VAL70
4.195
ALA83
3.536
LYS85
2.810
GLU97
4.350
VAL110
4.051
LEU132
3.715
ASP133
2.871
TYR134
3.337
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| References | Top | ||||
|---|---|---|---|---|---|
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| REF 3 | First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery. J Med Chem. 2009 Jan 22;52(2):293-307. | ||||
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| REF 8 | An Unusual Intramolecular Halogen Bond Guides Conformational Selection. Angew Chem Int Ed Engl. 2018 Jul 26;57(31):9970-9975. | ||||
| REF 9 | 5-Aryl-4-carboxamide-1,3-oxazoles: potent and selective GSK-3 inhibitors. Bioorg Med Chem Lett. 2012 Mar 1;22(5):1989-94. | ||||
| REF 10 | Optimization of Indazole-Based GSK-3 Inhibitors with Mitigated hERG Issue and In Vivo Activity in a Mood Disorder Model. ACS Med Chem Lett. 2020 Mar 24;11(5):825-831. | ||||
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| REF 12 | GSK-3-selective inhibitors derived from Tyrian purple indirubins. Chem Biol. 2003 Dec;10(12):1255-66. | ||||
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| REF 17 | Extremely tight binding of a ruthenium complex to glycogen synthase kinase 3. Chembiochem. 2008 Dec 15;9(18):2933-6. | ||||
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| REF 19 | Structure of anticancer ruthenium half-sandwich complex bound to glycogen synthase kinase 3beta. J Biol Inorg Chem. 2011 Jan;16(1):45-50. | ||||
| REF 20 | From PIM1 to PI3KDelta via GSK3beta: Target Hopping through the Kinome. ACS Med Chem Lett. 2017 Sep 7;8(10):1093-1098. | ||||
| REF 21 | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor | ||||
| REF 22 | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med. 2018 Mar 7;10(431):eaam8460. | ||||
| REF 23 | Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects. ACS Chem Biol. 2016 Jul 15;11(7):1952-63. | ||||
| REF 24 | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor | ||||
| REF 25 | 6-amino-4-(pyrimidin-4-yl)pyridones: novel glycogen synthase kinase-3beta inhibitors. Bioorg Med Chem Lett. 2011 Mar 1;21(5):1429-33. | ||||
| REF 26 | Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control. J Med Chem. 2009 Oct 22;52(20):6362-8 | ||||
| REF 27 | 3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3beta. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1661-4. | ||||
| REF 28 | Azaindole-Based Inhibitors of Cdc7 Kinase: Impact of the Pre-DFG Residue, Val 195. ACS Med Chem Lett. 2013 Jan 15;4(2):211-5. | ||||
| REF 29 | Crystal structure of human glycogen synthase kinase 3 beta (GSK3b) in complex with inhibitor 142 | ||||
| REF 30 | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg Med Chem Lett. 2015 May 1;25(9):1856-63. | ||||
| REF 31 | From genetics to therapeutics: the Wnt pathway and osteoporosis | ||||
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| REF 34 | Identification of 2-(4-pyridyl)thienopyridinones as GSK-3 inhibitors. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4823-7. | ||||
| REF 35 | Discovery of a Highly Selective Glycogen Synthase Kinase-3 Inhibitor (PF-04802367) That Modulates Tau Phosphorylation in the Brain: Translation for PET Neuroimaging. Angew Chem Int Ed Engl. 2016 Aug 8;55(33):9601-5. | ||||
| REF 36 | GSK3-beta in complex with compound (S)-5c | ||||
| REF 37 | 2-{3-[4-(Alkylsulfinyl)phenyl]-1-benzofuran-5-yl}-5-methyl-1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta with good brain permeability. J Med Chem. 2009 Oct 22;52(20):6270-86. | ||||
| REF 38 | Novel bis(indolyl)maleimide pyridinophanes that are potent, selective inhibitors of glycogen synthase kinase-3. Bioorg Med Chem Lett. 2007 May 15;17(10):2863-8. | ||||
| REF 39 | ARN25068, a versatile starting point towards triple GSK-3beta/FYN/DYRK1A inhibitors to tackle tau-related neurological disorders. Eur J Med Chem. 2022 Feb 5;229:114054. | ||||
| REF 40 | Identification of Novel GSK-3beta Hits Using Competitive Biophysical Assays. Int J Mol Sci. 2022 Mar 31;23(7):3856. | ||||
| REF 41 | Discovery of Novel Imidazopyridine GSK-3beta Inhibitors Supported by Computational Approaches. Molecules. 2020 May 5;25(9):2163. | ||||
| REF 42 | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput. 2019 Aug 13;15(8):4646-4659. | ||||
| REF 43 | Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta. Bioorg Med Chem. 2009 Mar 1;17(5):2017-29. | ||||
| REF 44 | Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors. J Med Chem. 2016 Feb 11;59(3):1041-51. | ||||
| REF 45 | 3,6-Diamino-4-(2-halophenyl)-2-benzoylthieno[2,3-b]pyridine-5-carbonitriles are selective inhibitors of Plasmodium falciparum glycogen synthase kinase-3. J Med Chem. 2013 Jan 10;56(1):264-75. | ||||
| REF 46 | Identification of a Glycogen Synthase Kinase-3b Inhibitor that Attenuates Hyperactivity in CLOCK Mutant Mice | ||||
| REF 47 | Selectivity, cocrystal structures, and neuroprotective properties of leucettines, a family of protein kinase inhibitors derived from the marine sponge alkaloid leucettamine B. J Med Chem. 2012 Nov 8;55(21):9312-30. | ||||
| REF 48 | Discovery of 4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamides as selective, orally active inhibitors of protein kinase B (Akt). J Med Chem. 2010 Mar 11;53(5):2239-49. | ||||
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| REF 53 | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors. Bioorg Med Chem Lett. 2010 Dec 1;20(23):7037-41. | ||||
| REF 54 | CRYSTAL STRUCTURE OF Glycogen synthase kinase-3 beta IN COMPLEX WITH BI-91BS | ||||
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