Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T39486 | Target Info | |||
| Target Name | Dual-specificity tyrosine-phosphorylation regulated kinase 2 (DYRK2) | ||||
| Synonyms | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | DYRK2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Curcumin | Ligand Info | |||||
| Structure Description | Human DYRK2 bound to Curcumin | PDB:6HDR | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [1] |
| PDB Sequence |
HHHSGVDLGT
65 ENLYFQSMGK75 VKATPMTPEQ85 AMKQYMQKLT95 AFEHHEIFSY105 PEIYFLGLNA 115 KKRQGMTGGP125 NNGGYDDDQG135 SYVQVPHDHV145 AYRYEVLKVI155 GKGSFGQVVK 165 AYDHKVHQHV175 ALKMVRNEKR185 FHRQAAEEIR195 ILEHLRKQDK205 DNTMNVIHML 215 ENFTFRNHIC225 MTFELLSMNL235 YELIKKNKFQ245 GFSLPLVRKF255 AHSILQCLDA 265 LHKNRIIHCD275 LKPENILLKQ285 QGRSGIKVID295 FGSSCYEHQR305 VYTIQSRFYR 316 APEVILGARY326 GMPIDMWSLG336 CILAELLTGY346 PLLPGEDEGD356 QLACMIELLG 366 MPSQKLLDAS376 KRAKNFVSKG387 YPRYCTVTTL397 SDVVLNGGRS409 RRGKLRGPPE 419 SREWGNALKG429 CDDPLFLDFL439 KQCLEWDPAV449 RMTPGQALRH459 PWLR |
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LYS153
3.465
ILE155
3.494
PHE160
3.661
VAL163
4.019
LYS165
4.598
ALA176
3.431
LYS178
2.920
GLU193
2.385
LEU197
4.882
ILE212
3.683
|
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| Ligand Name: DTD | Ligand Info | |||||
| Structure Description | Human DYRK2 bound to Curcumin | PDB:6HDR | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [1] |
| PDB Sequence |
HHHSGVDLGT
65 ENLYFQSMGK75 VKATPMTPEQ85 AMKQYMQKLT95 AFEHHEIFSY105 PEIYFLGLNA 115 KKRQGMTGGP125 NNGGYDDDQG135 SYVQVPHDHV145 AYRYEVLKVI155 GKGSFGQVVK 165 AYDHKVHQHV175 ALKMVRNEKR185 FHRQAAEEIR195 ILEHLRKQDK205 DNTMNVIHML 215 ENFTFRNHIC225 MTFELLSMNL235 YELIKKNKFQ245 GFSLPLVRKF255 AHSILQCLDA 265 LHKNRIIHCD275 LKPENILLKQ285 QGRSGIKVID295 FGSSCYEHQR305 VYTIQSRFYR 316 APEVILGARY326 GMPIDMWSLG336 CILAELLTGY346 PLLPGEDEGD356 QLACMIELLG 366 MPSQKLLDAS376 KRAKNFVSKG387 YPRYCTVTTL397 SDVVLNGGRS409 RRGKLRGPPE 419 SREWGNALKG429 CDDPLFLDFL439 KQCLEWDPAV449 RMTPGQALRH459 PWLR |
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| Ligand Name: PMID26560530-Compound-23 | Ligand Info | |||||
| Structure Description | The crystal structure of human DYRK2 in complex with Curcumin | PDB:5ZTN | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [2] |
| PDB Sequence |
GVDLGTENLY
69 FQSMGKVKAT79 PMTPEQAMKQ89 YMQKLTAFEH99 HEIFSYPEIY109 FLGLNAKKRQ 119 GMTGGPNNGG129 YDDDQGSYVQ139 VPHDHVAYRY149 EVLKVIGKGS159 FGQVVKAYDH 169 KVHQHVALKM179 VRNEKRFHRQ189 AAEEIRILEH199 LRKQDKDNTM209 NVIHMLENFT 219 FRNHICMTFE229 LLSMNLYELI239 KKNKFQGFSL249 PLVRKFAHSI259 LQCLDALHKN 269 RIIHCDLKPE279 NILLKQQGRS289 GIKVIDFGSS299 CYEHQRVYTI310 QSRFYRAPEV 320 ILGARYGMPI330 DMWSLGCILA340 ELLTGYPLLP350 GEDEGDQLAC360 MIELLGMPSQ 370 KLLDASKRAK380 NFVSKGYPRY391 CTVTVLNGGR408 SRRGKLRGPP418 ESREWGNALK 428 GCDDPLFLDF438 LKQCLEWDPA448 VRMTPGQALR458 HPWLR
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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 .CUR or .CUR2 or .CUR3 or :3CUR;style chemicals stick;color identity;select .A:153 or .A:155 or .A:160 or .A:163 or .A:165 or .A:176 or .A:178 or .A:193 or .A:197 or .A:212 or .A:228 or .A:229 or .A:230 or .A:231 or .A:232 or .A:233 or .A:282 or .A:294 or .A:295 or .A:296 or .A:297; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS153
3.291
ILE155
3.651
PHE160
3.430
VAL163
3.948
LYS165
4.333
ALA176
3.529
LYS178
2.661
GLU193
2.248
LEU197
4.957
ILE212
3.846
PHE228
3.361
|
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| Ligand Name: Phosphonotyrosine | Ligand Info | |||||
| Structure Description | Crystal structure of DYRK2 in complex with EHT 5372 (Compound 1) | PDB:5LXC | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [3] |
| PDB Sequence |
PMTPEQAMKQ
89 YMQKLTAFEH99 HEIFSYPEIY109 FLGLNAKKRQ119 GMTGGPNNGG129 YDDDQGSYVQ 139 VPHDHVAYRY149 EVLKVIGKGS159 FGQVVKAYDH169 KVHQHVALKM179 VRNEKRFHRQ 189 AAEEIRILEH199 LRKQDKDNTM209 NVIHMLENFT219 FRNHICMTFE229 LLSMNLYELI 239 KKNKFQGFSL249 PLVRKFAHSI259 LQCLDALHKN269 RIIHCDLKPE279 NILLKQQGRS 289 GIKVIDFGSS299 CYEHQRVYTI310 QSRFYRAPEV320 ILGARYGMPI330 DMWSLGCILA 340 ELLTGYPLLP350 GEDEGDQLAC360 MIELLGMPSQ370 KLLDASKRAK380 NFVSSKGYPR 390 YCTVTTLSDG400 SVVLNGGRSR410 RGKLRGPPES420 REWGNALKGC430 DDPLFLDFLK 440 QCLEWDPAVR450 MTPGQALRHP460 WLR
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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:307 or .A:308 or .A:310 or .A:311 or .A:313 or .A:316 or .A:320 or .A:353 or .A:354; 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: PMID28766366-Compound-Scheme21Right | Ligand Info | |||||
| Structure Description | The co-crystal structure of DYRK2 with a small molecule inhibitor | PDB:6K0J | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | Yes | [4] |
| PDB Sequence |
QVPHDHVAYR
221 YEVLKVIGKG231 SFGQVVKAYD241 HKVHQHVALK251 MVRNNKRFHR261 QAAEEIRILE 271 HLRKQDKDNT281 MNVIHMLENF291 TFRNHICMTF301 ELLSMNLYEL311 IKKNKFQGFS 321 LPLVRKFAHS331 ILQCLDALHK341 NRIIHCDAKP351 ENILLKQQGR361 SGIKVIDFGS 371 SCYEHQRVYT381 IQSRFYRAPE392 VILGARYGMP402 IDMWSLGCIL412 AELLTGYPLL 422 PGEDEGDQLA432 CMIELLGMPS442 QKLLDASKRA452 KNFVSKGYPR463 YCTVTTLSDG 473 SVVLNGGRSR483 RGKLRGPPES493 REWGNALKGC503 DDPLFLDFLK513 QCLEWDPAVR 523 MTPGQALRHP533 WLRAA
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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 .CQO or .CQO2 or .CQO3 or :3CQO;style chemicals stick;color identity;select .A:228 or .A:229 or .A:230 or .A:233 or .A:236 or .A:249 or .A:251 or .A:285 or .A:301 or .A:302 or .A:303 or .A:304 or .A:305 or .A:307 or .A:352 or .A:353 or .A:355 or .A:367 or .A:368; color #00ffc7; 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 | The co-crystal structure of DYRK2 with a small molecule inhibitor 7 | PDB:7DH9 | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [5] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
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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:456 or .A:457 or .A:459 or .A:460 or .A:463; 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: (2z,3e)-7'-Bromo-3-(Hydroxyimino)-2'-Oxo-1,1',2',3-Tetrahydro-2,3'-Biindole-5-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand | PDB:3KVW | ||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | No | [6] |
| PDB Sequence |
HHSGVDLGTE
-6 NLYFQSMGKV76 KATPMTPEQA86 MKQYMQKLTA96 FEHHEIFSYP106 EIYFLGLNAK 116 KRQGMTGGPN126 NGGYDDDQGS136 YVQVPHDHVA146 YRYEVLKVIG156 KGSFGQVVKA 166 YDHKVHQHVA176 LKMVRNEKRF186 HRQAAEEIRI196 LEHLRKQDKD206 NTMNVIHMLE 216 NFTFRNHICM226 TFELLSMNLY236 ELIKKNKFQG246 FSLPLVRKFA256 HSILQCLDAL 266 HKNRIIHCDL276 KPENILLKQQ286 GRSGIKVIDF296 GSSCYEHQRV306 YTIQSRFYRA 317 PEVILGARYG327 MPIDMWSLGC337 ILAELLTGYP347 LLPGEDEGDQ357 LACMIELLGM 367 PSQKLLDASK377 RAKNFVSKGY388 PRYCTVTTLS398 DVVLNGGRSR410 RGKLRGPPES 420 REWGNALKGC430 DDPLFLDFLK440 QCLEWDPAVR450 MTPGQALRHP460 WLR |
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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 .IRB or .IRB2 or .IRB3 or :3IRB;style chemicals stick;color identity;select .A:155 or .A:156 or .A:163 or .A:176 or .A:178 or .A:193 or .A:212 or .A:228 or .A:229 or .A:230 or .A:231 or .A:232 or .A:233 or .A:282 or .A:294 or .A:295 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: scorzodihydrostilbene A | Ligand Info | |||||
| Structure Description | Human DYRK2 bound to Scorzodihydrostilbene A | PDB:6HDP | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [7] |
| PDB Sequence |
VDLGTENLYF
70 QSMGKVKATP80 MTPEQAMKQY90 MQKLTAFEHH100 EIFSYPEIYF110 LGLNAKKRQG 120 MTGGPNNGGY130 DDDQGSYVQV140 PHDHVAYRYE150 VLKVIGKGSF160 GQVVKAYDHK 170 VHQHVALKMV180 RNEKRFHRQA190 AEEIRILEHL200 RKQDKDNTMN210 VIHMLENFTF 220 RNHICMTFEL230 LSMNLYELIK240 KNKFQGFSLP250 LVRKFAHSIL260 QCLDALHKNR 270 IIHCDLKPEN280 ILLKQQGRSG290 IKVIDFGSSC300 YEHQRVYTIQ311 SRFYRAPEVI 321 LGARYGMPID331 MWSLGCILAE341 LLTGYPLLPG351 EDEGDQLACM361 IELLGMPSQK 371 LLDASKRAKN381 FVSKGYPRYC392 TVTTLSDGSV402 VLNGGRSRRG412 KLRGPPESRE 422 WGNALKGCDD432 PLFLDFLKQC442 LEWDPAVRMT452 PGQALRHPWL462 RRRLPKP |
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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 .FZ5 or .FZ52 or .FZ53 or :3FZ5;style chemicals stick;color identity;select .A:155 or .A:156 or .A:160 or .A:163 or .A:165 or .A:176 or .A:178 or .A:193 or .A:212 or .A:228 or .A:229 or .A:230 or .A:231 or .A:232 or .A:233 or .A:234 or .A:282 or .A:294 or .A:295 or .A:296 or .A:297; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE155
3.516
GLY156
4.224
PHE160
3.712
VAL163
3.500
LYS165
4.272
ALA176
3.156
LYS178
2.703
GLU193
2.385
ILE212
3.711
PHE228
3.204
GLU229
2.686
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| Ligand Name: 4-(2,3-Dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine | Ligand Info | |||||
| Structure Description | Structure of DYRK2 in complex with compound 50 | PDB:7AKF | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [8] |
| PDB Sequence |
VDLGTENLYF
143 QSMGKVKATP153 MTPEQAMKQY163 MQKLTAFEHH173 EIFSYPEIYF183 LGLNAKKRQG 193 MTGGPNNGGY203 DDDQGSYVQV213 PHDHVAYRYE223 VLKVIGKGFG234 QVVKAYDHKV 244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR274 KQDKDNTMNV284 IHMLENFTFR 294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL324 VRKFAHSILQ334 CLDALHKNRI 344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY374 EHQRVYTIQS385 RFYRAPEVIL 395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE425 DEGDQLACMI435 ELLGMPSQKL 445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV476 LNGGRSRRGK486 LRGPPESREW 496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP526 GQALRHPWL
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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 .RK5 or .RK52 or .RK53 or :3RK5;style chemicals stick;color identity;select .A:228 or .A:233 or .A:236 or .A:249 or .A:251 or .A:266 or .A:270 or .A:285 or .A:301 or .A:302 or .A:303 or .A:304 or .A:305 or .A:355 or .A:367 or .A:368 or .A:369; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine | Ligand Info | |||||
| Structure Description | Structure of DYRK2 in complex with compound 58 | PDB:7AKH | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [8] |
| PDB Sequence |
VDLGTENLYF
143 QSMGKVKATP153 MTPEQAMKQY163 MQKLTAFEHH173 EIFSYPEIYF183 LGLNAKKRQG 193 MTGGPNNGGY203 DDDQGSYVQV213 PHDHVAYRYE223 VLKVIGKGFG234 QVVKAYDHKV 244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR274 KQDKDNTMNV284 IHMLENFTFR 294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL324 VRKFAHSILQ334 CLDALHKNRI 344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY374 EHQRVYTIQS385 RFYRAPEVIL 395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE425 DEGDQLACMI435 ELLGMPSQKL 445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV476 LNGGRSRRGK486 LRGPPESREW 496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP526 GQALRHPWL
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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 .RK8 or .RK82 or .RK83 or :3RK8;style chemicals stick;color identity;select .A:228 or .A:229 or .A:230 or .A:231 or .A:233 or .A:234 or .A:236 or .A:249 or .A:251 or .A:266 or .A:270 or .A:285 or .A:301 or .A:302 or .A:303 or .A:304 or .A:305 or .A:307 or .A:352 or .A:355 or .A:367 or .A:368 or .A:369; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE228
3.270
GLY229
3.449
LYS230
3.359
GLY231
4.088
PHE233
3.148
GLY234
4.775
VAL236
3.882
ALA249
3.230
LYS251
3.206
GLU266
3.010
LEU270
4.608
ILE285
3.964
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| Ligand Name: 5-(1,3-Benzodioxol-5-Ylmethyl)-2-(Phenylamino)-4h-Imidazol-4-One | Ligand Info | |||||
| Structure Description | Human DYRK2 in complex with Leucettine L41 | PDB:4AZF | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [9] |
| PDB Sequence |
HHHSGVDLGT
65 ENLYFQSMGK75 VKATPMTPEQ85 AMKQYMQKLT95 AFEHHEIFSY105 PEIYFLGLNA 115 KKRQGMTGGP125 NNGGYDDDQG135 SYVQVPHDHV145 AYRYEVLKVI155 GKGSFGQVVK 165 AYDHKVHQHV175 ALKMVRNEKR185 FHRQAAEEIR195 ILEHLRKQDK205 DNTMNVIHML 215 ENFTFRNHIC225 MTFELLSMNL235 YELIKKNKFQ245 GFSLPLVRKF255 AHSILQCLDA 265 LHKNRIIHCD275 LKPENILLKQ285 QGRSGIKVID295 FGSSCYEHQR305 VYTIQSRFYR 316 APEVILGARY326 GMPIDMWSLG336 CILAELLTGY346 PLLPGEDEGD356 QLACMIELLG 366 MPSQKLLDAS376 KRAKNFVSKG387 YPRYCTVTTL397 SDVVLNGGRS409 RRGKLRGPPE 419 SREWGNALKG429 CDDPLFLDFL439 KQCLEWDPAV449 RMTPGQALRH459 PWLR |
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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 .3RA or .3RA2 or .3RA3 or :33RA;style chemicals stick;color identity;select .A:155 or .A:156 or .A:157 or .A:158 or .A:160 or .A:163 or .A:176 or .A:178 or .A:193 or .A:212 or .A:228 or .A:229 or .A:230 or .A:231 or .A:232 or .A:282 or .A:294 or .A:295; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2,7-Dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid | Ligand Info | |||||
| Structure Description | The co-crystal structure of DYRK2 with a small molecule inhibitor 8 | PDB:7DHV | ||||
| Method | X-ray diffraction | Resolution | 2.68 Å | Mutation | No | [5] |
| PDB Sequence |
QVPHDHVAYR
221 YEVLKVIGKG231 SFGQVVKAYD241 HKVHQHVALK251 MVRNEKRFHR261 QAAEEIRILE 271 HLRKQDKDNT281 MNVIHMLENF291 TFRNHICMTF301 ELLSMNLYEL311 IKKNKFQGFS 321 LPLVRKFAHS331 ILQCLDALHK341 NRIIHCDLKP351 ENILLKQQGR361 SGIKVIDFGS 371 SCYEHQRVYT381 IQSRFYRAPE392 VILGARYGMP402 IDMWSLGCIL412 AELLTGYPLL 422 PGEDEGDQLA432 CMIELLGMPS442 QKLLDASKRA452 KNFVSKGYPR463 YCTVTTLSDG 473 SVVLNGGRSR483 RGKLRGPPES493 REWGNALKGC503 DDPLFLDFLK513 QCLEWDPAVR 523 MTPGQALRHP533 WLRRR
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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 .H7X or .H7X2 or .H7X3 or :3H7X;style chemicals stick;color identity;select .A:228 or .A:229 or .A:233 or .A:236 or .A:249 or .A:251 or .A:266 or .A:285 or .A:301 or .A:302 or .A:303 or .A:304 or .A:305 or .A:307 or .A:352 or .A:353 or .A:355 or .A:367 or .A:368 or .A:369; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE228
3.716
GLY229
4.635
PHE233
3.607
VAL236
3.648
ALA249
3.795
LYS251
3.337
GLU266
3.068
ILE285
4.010
PHE301
3.651
GLU302
3.382
|
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| Ligand Name: 2,7-Dimethoxy-9-piperidin-4-ylsulfanyl-acridine | Ligand Info | |||||
| Structure Description | The co-crystal structure of DYRK2 with a small molecule inhibitor 5 | PDB:7DH3 | ||||
| Method | X-ray diffraction | Resolution | 2.33 Å | Mutation | No | [10] |
| PDB Sequence |
VPHDHVAYRY
222 EVLKVIGKGS232 FGQVVKAYDH242 KVHQHVALKM252 VRNEKRFHRQ262 AAEEIRILEH 272 LRKQDKDNTM282 NVIHMLENFT292 FRNHICMTFE302 LLSMNLYELI312 KKNKFQGFSL 322 PLVRKFAHSI332 LQCLDALHKN342 RIIHCDLKPE352 NILLKQQGRS362 GIKVIDFGSS 372 CYEHQRVYTI383 QSRFYRAPEV393 ILGARYGMPI403 DMWSLGCILA413 ELLTGYPLLP 423 GEDEGDQLAC433 MIELLGMPSQ443 KLLDASKRAK453 NFVSKGYPRY464 CTVTTLSDGS 474 VVLNGGRSRR484 GKLRGPPESR494 EWGNALKGCD504 DPLFLDFLKQ514 CLEWDPAVRM 524 TPGQALRHPW534 LRRR
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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 .H7C or .H7C2 or .H7C3 or :3H7C;style chemicals stick;color identity;select .A:228 or .A:229 or .A:230 or .A:233 or .A:236 or .A:249 or .A:251 or .A:285 or .A:301 or .A:302 or .A:303 or .A:304 or .A:305 or .A:307 or .A:352 or .A:353 or .A:355 or .A:367 or .A:368; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: [2,7-Dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol | Ligand Info | |||||
| Structure Description | The co-crystal structure of DYRK2 with a small molecule inhibitor 7 | PDB:7DH9 | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [5] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
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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 .H7F or .H7F2 or .H7F3 or :3H7F;style chemicals stick;color identity;select .A:228 or .A:229 or .A:230 or .A:233 or .A:236 or .A:249 or .A:251 or .A:266 or .A:285 or .A:301 or .A:302 or .A:303 or .A:304 or .A:305 or .A:307 or .A:352 or .A:353 or .A:355 or .A:367 or .A:368 or .A:369; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE228
3.317
GLY229
4.105
LYS230
4.320
PHE233
3.860
VAL236
3.545
ALA249
3.705
LYS251
4.441
GLU266
3.781
ILE285
3.747
PHE301
3.723
GLU302
3.340
|
|||||
| Ligand Name: 2-Methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine | Ligand Info | |||||
| Structure Description | The co-crystal structure of DYRK2 with a small molecule inhibitor 13 | PDB:7DHK | ||||
| Method | X-ray diffraction | Resolution | 2.34 Å | Mutation | No | [5] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H7O or .H7O2 or .H7O3 or :3H7O;style chemicals stick;color identity;select .A:228 or .A:229 or .A:230 or .A:231 or .A:233 or .A:236 or .A:249 or .A:251 or .A:285 or .A:301 or .A:302 or .A:303 or .A:304 or .A:305 or .A:307 or .A:352 or .A:353 or .A:355 or .A:367 or .A:368; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE228
3.218
GLY229
4.427
LYS230
3.197
GLY231
4.169
PHE233
3.526
VAL236
3.809
ALA249
3.494
LYS251
4.365
ILE285
3.916
PHE301
3.833
|
|||||
| Ligand Name: 7-Methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline | Ligand Info | |||||
| Structure Description | The co-crystal structure of DYRK2 with a small molecule inhibitor 20 | PDB:7DHN | ||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [5] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H7R or .H7R2 or .H7R3 or :3H7R;style chemicals stick;color identity;select .A:228 or .A:229 or .A:233 or .A:236 or .A:249 or .A:251 or .A:266 or .A:285 or .A:301 or .A:302 or .A:303 or .A:304 or .A:305 or .A:307 or .A:352 or .A:353 or .A:355 or .A:367 or .A:368; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [9-(Azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol | Ligand Info | |||||
| Structure Description | The co-crystal structure of DYRK2 with a small molecule inhibitor 19 | PDB:7DHH | ||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [5] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H7L or .H7L2 or .H7L3 or :3H7L;style chemicals stick;color identity;select .A:228 or .A:229 or .A:230 or .A:233 or .A:236 or .A:249 or .A:251 or .A:266 or .A:285 or .A:301 or .A:302 or .A:303 or .A:304 or .A:305 or .A:307 or .A:352 or .A:353 or .A:355 or .A:367 or .A:368 or .A:369; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE228
3.368
GLY229
4.073
LYS230
3.488
PHE233
3.553
VAL236
3.709
ALA249
3.650
LYS251
3.764
GLU266
3.769
ILE285
3.791
PHE301
3.773
GLU302
3.038
|
|||||
| Ligand Name: [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | Ligand Info | |||||
| Structure Description | The co-crystal structure of DYRK2 with a small molecule inhibitor 17 | PDB:7DJO | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [5] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H80 or .H802 or .H803 or :3H80;style chemicals stick;color identity;select .A:228 or .A:229 or .A:230 or .A:231 or .A:233 or .A:236 or .A:249 or .A:251 or .A:266 or .A:285 or .A:301 or .A:302 or .A:303 or .A:304 or .A:305 or .A:307 or .A:352 or .A:353 or .A:355 or .A:367 or .A:368 or .A:369; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE228
3.510
GLY229
4.301
LYS230
3.640
GLY231
4.951
PHE233
3.592
VAL236
3.663
ALA249
3.614
LYS251
4.115
GLU266
3.560
ILE285
3.797
PHE301
3.633
|
|||||
| Ligand Name: 2,7-Dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine | Ligand Info | |||||
| Structure Description | The co-crystal structure of DYRK2 with a small molecule inhibitor 6 | PDB:7DG4 | ||||
| Method | X-ray diffraction | Resolution | 2.58 Å | Mutation | No | [5] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H5R or .H5R2 or .H5R3 or :3H5R;style chemicals stick;color identity;select .A:228 or .A:229 or .A:230 or .A:233 or .A:236 or .A:249 or .A:251 or .A:285 or .A:301 or .A:302 or .A:303 or .A:304 or .A:305 or .A:307 or .A:352 or .A:353 or .A:355 or .A:367 or .A:368; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[Bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine | Ligand Info | |||||
| Structure Description | The co-crystal structure of DYRK2 with a small molecule inhibitor 10 | PDB:7DHC | ||||
| Method | X-ray diffraction | Resolution | 2.59 Å | Mutation | No | [5] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H99 or .H992 or .H993 or :3H99;style chemicals stick;color identity;select .A:228 or .A:229 or .A:233 or .A:236 or .A:249 or .A:251 or .A:266 or .A:285 or .A:301 or .A:302 or .A:303 or .A:304 or .A:305 or .A:307 or .A:352 or .A:353 or .A:355 or .A:367 or .A:368 or .A:369; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE228
3.173
GLY229
4.171
PHE233
3.619
VAL236
3.555
ALA249
3.828
LYS251
2.996
GLU266
3.567
ILE285
3.648
PHE301
3.486
GLU302
3.717
|
|||||
| Ligand Name: [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | Ligand Info | |||||
| Structure Description | The co-crystal structure of DYRK2 with a small molecule inhibitor 18 | PDB:7DL6 | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [5] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H96 or .H962 or .H963 or :3H96;style chemicals stick;color identity;select .A:228 or .A:229 or .A:230 or .A:233 or .A:236 or .A:249 or .A:251 or .A:266 or .A:285 or .A:301 or .A:302 or .A:303 or .A:304 or .A:305 or .A:307 or .A:352 or .A:353 or .A:355 or .A:367 or .A:368 or .A:369; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE228
3.258
GLY229
4.401
LYS230
4.715
PHE233
3.308
VAL236
3.713
ALA249
3.674
LYS251
4.222
GLU266
3.912
ILE285
3.716
PHE301
3.713
GLU302
3.487
|
|||||
| Ligand Name: 2-Methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine | Ligand Info | |||||
| Structure Description | The co-crystal structure of DYRK2 with a small molecule inhibitor 14 | PDB:7DHO | ||||
| Method | X-ray diffraction | Resolution | 3.29 Å | Mutation | No | [5] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H7U or .H7U2 or .H7U3 or :3H7U;style chemicals stick;color identity;select .A:228 or .A:229 or .A:230 or .A:231 or .A:233 or .A:236 or .A:249 or .A:251 or .A:285 or .A:301 or .A:302 or .A:303 or .A:304 or .A:305 or .A:307 or .A:310 or .A:352 or .A:355 or .A:367 or .A:368; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE228
3.269
GLY229
3.434
LYS230
3.095
GLY231
4.517
PHE233
3.830
VAL236
3.891
ALA249
3.706
LYS251
4.149
ILE285
3.845
PHE301
3.935
|
|||||
| Ligand Name: methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate | Ligand Info | |||||
| Structure Description | Crystal structure of DYRK2 in complex with EHT 5372 (Compound 1) | PDB:5LXC | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [3] |
| PDB Sequence |
PMTPEQAMKQ
89 YMQKLTAFEH99 HEIFSYPEIY109 FLGLNAKKRQ119 GMTGGPNNGG129 YDDDQGSYVQ 139 VPHDHVAYRY149 EVLKVIGKGS159 FGQVVKAYDH169 KVHQHVALKM179 VRNEKRFHRQ 189 AAEEIRILEH199 LRKQDKDNTM209 NVIHMLENFT219 FRNHICMTFE229 LLSMNLYELI 239 KKNKFQGFSL249 PLVRKFAHSI259 LQCLDALHKN269 RIIHCDLKPE279 NILLKQQGRS 289 GIKVIDFGSS299 CYEHQRVYTI310 QSRFYRAPEV320 ILGARYGMPI330 DMWSLGCILA 340 ELLTGYPLLP350 GEDEGDQLAC360 MIELLGMPSQ370 KLLDASKRAK380 NFVSSKGYPR 390 YCTVTTLSDG400 SVVLNGGRSR410 RGKLRGPPES420 REWGNALKGC430 DDPLFLDFLK 440 QCLEWDPAVR450 MTPGQALRHP460 WLR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7AA or .7AA2 or .7AA3 or :37AA;style chemicals stick;color identity;select .A:155 or .A:156 or .A:157 or .A:160 or .A:163 or .A:176 or .A:178 or .A:193 or .A:212 or .A:228 or .A:229 or .A:230 or .A:231 or .A:232 or .A:234 or .A:279 or .A:280 or .A:282 or .A:294 or .A:295; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE155
3.696
GLY156
3.283
LYS157
3.343
PHE160
3.720
VAL163
3.609
ALA176
3.545
LYS178
3.055
GLU193
4.574
ILE212
3.623
PHE228
3.632
|
|||||
| Ligand Name: methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate | Ligand Info | |||||
| Structure Description | Crystal structure of DYRK2 in complex with EHT 1610 (compound 2) | PDB:5LXD | ||||
| Method | X-ray diffraction | Resolution | 2.58 Å | Mutation | No | [3] |
| PDB Sequence |
PMTPEQAMKQ
89 YMQKLTAFEH99 HEIFSYPEIY109 FLGLNAKKRQ119 GMTGGPNNGG129 YDDDQGSYVQ 139 VPHDHVAYRY149 EVLKVIGKGS159 FGQVVKAYDH169 KVHQHVALKM179 VRNEKRFHRQ 189 AAEEIRILEH199 LRKQDKDNTM209 NVIHMLENFT219 FRNHICMTFE229 LLSMNLYELI 239 KKNKFQGFSL249 PLVRKFAHSI259 LQCLDALHKN269 RIIHCDLKPE279 NILLKQQGRS 289 GIKVIDFGSS299 CYEHQRVYTI310 QSRFYRAPEV320 ILGARYGMPI330 DMWSLGCILA 340 ELLTGYPLLP350 GEDEGDQLAC360 MIELLGMPSQ370 KLLDASKRAK380 NFVSSKGYPR 390 YCTVTTLSDG400 SVVLNGGRSR410 RGKLRGPPES420 REWGNALKGC430 DDPLFLDFLK 440 QCLEWDPAVR450 MTPGQALRHP460 WLRRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7A7 or .7A72 or .7A73 or :37A7;style chemicals stick;color identity;select .A:155 or .A:156 or .A:157 or .A:160 or .A:163 or .A:176 or .A:178 or .A:193 or .A:212 or .A:228 or .A:229 or .A:230 or .A:231 or .A:232 or .A:277 or .A:279 or .A:280 or .A:282 or .A:294 or .A:295; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE155
3.915
GLY156
3.194
LYS157
3.527
PHE160
3.398
VAL163
3.611
ALA176
3.515
LYS178
3.523
GLU193
4.425
ILE212
3.581
PHE228
3.506
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | DYRK2 bound to Curcumin | ||||
| REF 2 | Ancient drug curcumin impedes 26S proteasome activity by direct inhibition of dual-specificity tyrosine-regulated kinase 2. Proc Natl Acad Sci U S A. 2018 Aug 7;115(32):8155-8160. | ||||
| REF 3 | An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases. J Med Chem. 2016 Nov 23;59(22):10315-10321. | ||||
| REF 4 | Inhibition of dual-specificity tyrosine phosphorylation-regulated kinase 2 perturbs 26S proteasome-addicted neoplastic progression. Proc Natl Acad Sci U S A. 2019 Dec 3;116(49):24881-24891. | ||||
| REF 5 | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife. 2022 Apr 19;11:e77696. | ||||
| REF 6 | Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand | ||||
| REF 7 | DYRK2 bound to Scorzodihydrostilbene A | ||||
| REF 8 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J Med Chem. 2021 May 27;64(10):6745-6764. | ||||
| REF 9 | 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 10 | The co-crystal structure of DYRK2 with a small molecule inhibitor 5 | ||||
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