Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T92803 | Target Info | |||
| Target Name | Dual-specificity tyrosine-phosphorylation regulated kinase 1A (DYRK1A) | ||||
| Synonyms | hMNB; Protein kinase minibrain homolog; MNBH; MNB; HP86; Dual specificity tyrosine-phosphorylation-regulated kinase 1A; Dual specificity YAK1-related kinase; DYRK | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | DYRK1A | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphonotyrosine | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1CC(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | ||||
| InChIKey | DCWXELXMIBXGTH-QMMMGPOBSA-N | ||||
| PubChem Compound ID | 30819 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7A4O Structure of DYRK1A in complex with AMPNP | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
YNDGYDDDNY
145 DYIVKNGEKW155 MDRYEIDSLI165 GKGSFGQVVK175 AYDRVEQEWV185 AIKIIKNKKA 195 FLNQAQIEVR205 LLELMNKHDT215 EMKYYIVHLK225 RHFMFRNHLC235 LVFEMLSYNL 245 YDLLRNTNFR255 GVSLNLTRKF265 AQQMCTALLF275 LATPELSIIH285 CDLKPENILL 295 CNPKRSAIKI305 VDFGSSCQLG315 QRIYQIQSRF326 YRSPEVLLGM336 PYDLAIDMWS 346 LGCILVEMHT356 GEPLFSGANE366 VDQMNKIVEV376 LGIPPAHILD386 QAPKARKFFE 396 KLPDGTWNLK406 KTEYKPPGTR421 KLHNILGVET431 GGPGGRRAGE441 SGHTVADYLK 451 FKDLILRMLD461 YDPKTRIQPY471 YALQHSFFKK481
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| PDB ID: 7A55 Structure of DYRK1A in complex with compound 8 | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [1] |
| PDB Sequence |
YNDGYDDDNY
145 DYIVKNGEKW155 MDRYEIDSLI165 GKGSFGQVVK175 AYDRVEQEWV185 AIKIIKNKKA 195 FLNQAQIEVR205 LLELMNKHDT215 EMKYYIVHLK225 RHFMFRNHLC235 LVFEMLSYNL 245 YDLLRNTNFR255 GVSLNLTRKF265 AQQMCTALLF275 LATPELSIIH285 CDLKPENILL 295 CNPKRSAIKI305 VDFGSSCQLG315 QRIYQIQSRF326 YRSPEVLLGM336 PYDLAIDMWS 346 LGCILVEMHT356 GEPLFSGANE366 VDQMNKIVEV376 LGIPPAHILD386 QAPKARKFFE 396 KLPDGTWNLK406 KEYKPPGTRK422 LHNILGVETG432 GPGGRRAGES442 GHTVADYLKF 452 KDLILRMLDY462 DPKTRIQPYY472 ALQHSFFKK
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| PDB ID: 7ZH8 DYRK1a in Complex with a Bromo-Triazolo-Pyridine | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
VYNDGYDDDN
144 YDYIVKNGEK154 WMDRYEIDSL164 IGKGSFGQVV174 KAYDRVEQEW184 VAIKIIKNKK 194 AFLNQAQIEV204 RLLELMNKHD214 TEMKYYIVHL224 KRHFMFRNHL234 CLVFEMLSYN 244 LYDLLRNTNF254 RGVSLNLTRK264 FAQQMCTALL274 FLATPELSII284 HCDLKPENIL 294 LCNPKRSAIK304 IVDFGSSCQL314 GQRIYQIQSR325 FYRSPEVLLG335 MPYDLAIDMW 345 SLGCILVEMH355 TGEPLFSGAN365 EVDQMNKIVE375 VLGIPPAHIL385 DQAPKARKFF 395 EKLPDGTWNL405 KKTKDGKREY415 KPPGTRKLHN425 ILGVETGGPG435 GRRAGESGHT 445 VADYLKFKDL455 ILRMLDYDPK465 TRIQPYYALQ475 HSFFKKT
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| PDB ID: 2VX3 Crystal structure of the human dual specificity tyrosine- phosphorylation-regulated kinase 1A | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [3] |
| PDB Sequence |
VYNDGYDDDN
144 YDYIVKNGEK154 WMDRYEIDSL164 IGKGSFGQVV174 KAYDRVEQEW184 VAIKIIKNKK 194 AFLNQAQIEV204 RLLELMNKHD214 TEMKYYIVHL224 KRHFMFRNHL234 CLVFEMLSYN 244 LYDLLRNTNF254 RGVSLNLTRK264 FAQQMCTALL274 FLATPELSII284 HCDLKPENIL 294 LCNPKRSAIK304 IVDFGSSCQL314 GQRIYQIQSR325 FYRSPEVLLG335 MPYDLAIDMW 345 SLGCILVEMH355 TGEPLFSGAN365 EVDQMNKIVE375 VLGIPPAHIL385 DQAPKARKFF 395 EKLPDGTWNL405 KKTKDGKREY415 KPPGTRKLHN425 ILGVETGGPG435 GRRAGESGHT 445 VADYLKFKDL455 ILRMLDYDPK465 TRIQPYYALQ475 HSFFKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2WO6 Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in complex with a consensus substrate peptide | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [3] |
| PDB Sequence |
RKVYNDGYDD
142 DNYDYIVKNG152 EKWMDRYEID162 SLIGKGSFGQ172 VVKAYDRVEQ182 EWVAIKIIKN 192 KKAFLNQAQI202 EVRLLELMNK212 HDTEMKYYIV222 HLKRHFMFRN232 HLCLVFEMLS 242 YNLYDLLRNT252 NFRGVSLNLT262 RKFAQQMCTA272 LLFLATPELS282 IIHCDLKPEN 292 ILLCNPKRSA302 IKIVDFGSSC312 QLGQRIYQIQ323 SRFYRSPEVL333 LGMPYDLAID 343 MWSLGCILVE353 MHTGEPLFSG363 ANEVDQMNKI373 VEVLGIPPAH383 ILDQAPKARK 393 FFEKLPDGTW403 NLKKTREYKP417 PGTRKLHNIL427 GVETGGPGGR437 RAGESGHTVA 447 DYLKFKDLIL457 RMLDYDPKTR467 IQPYYALQHS477 FFKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7A5B Structure of DYRK1A in complex with complex 10 | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
YNDGYDDDNY
145 DYIVKNGEKW155 MDRYEIDSLI165 GKGSFGQVVK175 AYDRVEQEWV185 AIKIIKNKKA 195 FLNQAQIEVR205 LLELMNKHDT215 EMKYYIVHLK225 RHFMFRNHLC235 LVFEMLSYNL 245 YDLLRNTNFR255 GVSLNLTRKF265 AQQMCTALLF275 LATPELSIIH285 CDLKPENILL 295 CNPKRSAIKI305 VDFGSSCQLG315 QRIYQIQSRF326 YRSPEVLLGM336 PYDLAIDMWS 346 LGCILVEMHT356 GEPLFSGANE366 VDQMNKIVEV376 LGIPPAHILD386 QAPKARKFFE 396 KLPDGTWNLK406 KEYKPPGTRK422 LHNILGVETG432 GPGGRRAGES442 GHTVADYLKF 452 KDLILRMLDY462 DPKTRIQPYY472 ALQHSFFKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5AIK Human DYRK1A in complex with LDN-211898 | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [4] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTKREYKP417 PGTRKLHNIL427 GVETGGPGGR437 RAGESGHTVA 447 DYLKFKDLIL457 RMLDYDPKTR467 IQPYYALQHS477 FFKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7A4W Structure of DYRK1A in complex with compound 3 | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [1] |
| PDB Sequence |
YNDGYDDDNY
145 DYIVKNGEKW155 MDRYEIDSLI165 GKGSFGQVVK175 AYDRVEQEWV185 AIKIIKNKKA 195 FLNQAQIEVR205 LLELMNKHDT215 EMKYYIVHLK225 RHFMFRNHLC235 LVFEMLSYNL 245 YDLLRNTNFR255 GVSLNLTRKF265 AQQMCTALLF275 LATPELSIIH285 CDLKPENILL 295 CNPKRSAIKI305 VDFGSSCQLG315 QRIYQIQSRF326 YRSPEVLLGM336 PYDLAIDMWS 346 LGCILVEMHT356 GEPLFSGANE366 VDQMNKIVEV376 LGIPPAHILD386 QAPKARKFFE 396 KLPDGTWNLK406 KEYKPPGTRK422 LHNILGVETG432 GPGGRRAGES442 GHTVADYLKF 452 KDLILRMLDY462 DPKTRIQPYY472 ALQHSFFKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4AZE Human DYRK1A in complex with Leucettine L41 | ||||||
| Method | X-ray diffraction | Resolution | 3.15 Å | Mutation | No | [5] |
| PDB Sequence |
ERKVYNDGYD
141 DDNYDYIVKN151 GEKWMDRYEI161 DSLIGKGSFG171 QVVKAYDRVE181 QEWVAIKIIK 191 NKKAFLNQAQ201 IEVRLLELMN211 KHDTEMKYYI221 VHLKRHFMFR231 NHLCLVFEML 241 SYNLYDLLRN251 TNFRGVSLNL261 TRKFAQQMCT271 ALLFLATPEL281 SIIHCDLKPE 291 NILLCNPKRA302 IKIVDFGSSC312 QLGQRIYQIQ323 SRFYRSPEVL333 LGMPYDLAID 343 MWSLGCILVE353 MHTGEPLFSG363 ANEVDQMNKI373 VEVLGIPPAH383 ILDQAPKARK 393 FFEKLPDGTW403 NLKKTKDGKR413 EYKPPGTRKL423 HNILGVETGG433 PGGRRAGESG 443 HTVADYLKFK453 DLILRMLDYD463 PKTRIQPYYA473 LQHSFFKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5A4T DYRK1A IN COMPLEX WITH NITRILE BENZOTHIAZOLE FRAGMENT | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [6] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 K
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6EIF DYRK1A in complex with XMD7-117 | ||||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | No | [7] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTKDEYKP417 PGTRKLHNIL427 GVETGGPGGR437 RAGESGHTVA 447 DYLKFKDLIL457 RMLDYDPKTR467 IQPYYALQHS477 FFK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5A3X DYRK1A in complex with hydroxy benzothiazole fragment | ||||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [6] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 KK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6EIQ DYRK1A in complex with XMD14-124 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [7] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 K
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6EIS DYRK1A in complex with JWC-055 | ||||||
| Method | X-ray diffraction | Resolution | 2.36 Å | Mutation | No | [7] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTKKREYK416 PPGTRKLHNI426 LGVETGGPGG436 RRAGESGHTV 446 ADYLKFKDLI456 LRMLDYDPKT466 RIQPYYALQH476 SFFK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5A4Q DYRK1A IN COMPLEX WITH CHLORO BENZOTHIAZOLE FRAGMENT | ||||||
| Method | X-ray diffraction | Resolution | 2.37 Å | Mutation | No | [6] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 K
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6EIR DYRK1A in complex with XMD15-27-2 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [7] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 K
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6EIJ DYRK1A in complex with HG-8-60-1 | ||||||
| Method | X-ray diffraction | Resolution | 2.42 Å | Mutation | No | [7] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 K
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6EIL DYRK1A in complex with XMD8-49 | ||||||
| Method | X-ray diffraction | Resolution | 2.46 Å | Mutation | No | [7] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 K
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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:319 or .A:320 or .A:322 or .A:323 or .A:324 or .A:325 or .A:328 or .A:332 or .A:365 or .A:366 or .A:390; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6EIP DYRK1A in complex with XMD8-62e | ||||||
| Method | X-ray diffraction | Resolution | 2.56 Å | Mutation | No | [7] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 K
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Click to Show 3D Structure of This Binding Site
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| PDB ID: 3ANQ human DYRK1A/inhibitor complex | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [8] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKREYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 KK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3ANR human DYRK1A/harmine complex | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [8] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 KK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4NCT Human DYRK1A in complex with PKC412 | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [9] |
| PDB Sequence |
> Chain A
KVYNDGYDDD 143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 K> Chain C KVYNDGYDDD 143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRAIK304 IVDFGSSCQL314 GQRIYQIQSR325 FYRSPEVLLG335 MPYDLAIDMW 345 SLGCILVEMH355 TGEPLFSGAN365 EVDQMNKIVE375 VLGIPPAHIL385 DQAPKARKFF 395 EKLPDGTWNL405 KKREYKPPGT420 RKLHNILGVE430 TGGPGGRRAG440 ESGHTVADYL 450 KFKDLILRML460 DYDPKTRIQP470 YYALQHSFF
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Click to Show 3D Structure of This Binding Site
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| PDB ID: 5A54 DYRK1A IN COMPLEX WITH NITRO BENZOTHIAZOLE FRAGMENT | ||||||
| Method | X-ray diffraction | Resolution | 2.63 Å | Mutation | No | [6] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 K
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5A4E DYRK1A in complex with methoxy benzothiazole fragment | ||||||
| Method | X-ray diffraction | Resolution | 2.68 Å | Mutation | No | [6] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 K
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Click to Show 3D Structure of This Binding Site
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||||||
| PDB ID: 6EIV DYRK1A in complex with JWD-065 | ||||||
| Method | X-ray diffraction | Resolution | 2.68 Å | Mutation | No | [7] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 K
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Click to Show 3D Structure of This Binding Site
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| PDB ID: 5A4L DYRK1A IN COMPLEX WITH FLUORO BENZOTHIAZOLE FRAGMENT | ||||||
| Method | X-ray diffraction | Resolution | 2.73 Å | Mutation | No | [6] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 K
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Click to Show 3D Structure of This Binding Site
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||||||
| PDB ID: 6EJ4 DYRK1A in complex with XMD7-112 | ||||||
| Method | X-ray diffraction | Resolution | 2.88 Å | Mutation | No | [7] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTKDEYKP417 PGTRKLHNIL427 GVETGGPGGR437 RAGESGHTVA 447 DYLKFKDLIL457 RMLDYDPKTR467 IQPYYALQHS477 FFK
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Click to Show 3D Structure of This Binding Site
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||||||
| PDB ID: 6YF8 DYRK1A with PST001 | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [10] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 K
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Click to Show 3D Structure of This Binding Site
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||||||
| PDB ID: 6S14 Crystal Structure of DYRK1A with small molecule inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [11] |
| PDB Sequence |
VYNDGYDDDN
144 YDYIVKNGEK154 WMDRYEIDSL164 IGKGSFGQVV174 KAYDRVEQEW184 VAIKIIKNKK 194 AFLNQAQIEV204 RLLELMNKHD214 TEMKYYIVHL224 KRHFMFRNHL234 CLVFEMLSYN 244 LYDLLRNTNF254 RGVSLNLTRK264 FAQQMCTALL274 FLATPELSII284 HCDLKPENIL 294 LCNPKRSAIK304 IVDFGSSCQL314 GQRIYQIQSR325 FYRSPEVLLG335 MPYDLAIDMW 345 SLGCILVEMH355 TGEPLFSGAN365 EVDQMNKIVE375 VLGIPPAHIL385 DQAPKARKFF 395 EKLPDGTWNL405 KKYKPPGTRK422 LHNILGVETG432 GPGGRRAGES442 GHTVADYLKF 452 KDLILRMLDY462 DPKTRIQPYY472 ALQHSFFKK
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Click to Show 3D Structure of This Binding Site
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||||||
| PDB ID: 6S1H Crystal Structure of DYRK1A with small molecule inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [12] |
| PDB Sequence |
VYNDGYDDDN
144 YDYIVKNGEK154 WMDRYEIDSL164 IGKGSFGQVV174 KAYDRVEQEW184 VAIKIIKNKK 194 AFLNQAQIEV204 RLLELMNKHD214 TEMKYYIVHL224 KRHFMFRNHL234 CLVFEMLSYN 244 LYDLLRNTNF254 RGVSLNLTRK264 FAQQMCTALL274 FLATPELSII284 HCDLKPENIL 294 LCNPKRSAIK304 IVDFGSSCQL314 GQRIYQIQSR325 FYRSPEVLLG335 MPYDLAIDMW 345 SLGCILVEMH355 TGEPLFSGAN365 EVDQMNKIVE375 VLGIPPAHIL385 DQAPKARKFF 395 EKLPDGTWNL405 KKEYKPPGTR421 KLHNILGVET431 GGPGGRRAGE441 SGHTVADYLK 451 FKDLILRMLD461 YDPKTRIQPY471 YALQHSFFK
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Click to Show 3D Structure of This Binding Site
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||||||
| PDB ID: 6S17 Crystal Structure of DYRK1A with small molecule inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [13] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKEYKPPGT420 RKLHNILGVE430 TGGPGGRRAG440 ESGHTVADYL 450 KFKDLILRML460 DYDPKTRIQP470 YYALQHSFFK480 KT
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Click to Show 3D Structure of This Binding Site
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||||||
| PDB ID: 6S1B Crystal Structure of DYRK1A with small molecule inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [14] |
| PDB Sequence |
VYNDGYDDDN
144 YDYIVKNGEK154 WMDRYEIDSL164 IGKGSFGQVV174 KAYDRVEQEW184 VAIKIIKNKK 194 AFLNQAQIEV204 RLLELMNKHD214 TEMKYYIVHL224 KRHFMFRNHL234 CLVFEMLSYN 244 LYDLLRNTNF254 RGVSLNLTRK264 FAQQMCTALL274 FLATPELSII284 HCDLKPENIL 294 LCNPKRSAIK304 IVDFGSSCQL314 GQRIYQIQSR325 FYRSPEVLLG335 MPYDLAIDMW 345 SLGCILVEMH355 TGEPLFSGAN365 EVDQMNKIVE375 VLGIPPAHIL385 DQAPKARKFF 395 EKDGTWNLKK407 YKPPGTRKLH424 NILGVETGGP434 GGRRAGESGH444 TVADYLKFKD 454 LILRMLDYDP464 KTRIQPYYAL474 QHSFFKK
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Click to Show 3D Structure of This Binding Site
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||||||
| PDB ID: 4YLK Crystal structure of DYRK1A in complex with 10-Chloro-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5s | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [15] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKEYKPPGT420 RKLHNILGVE430 TGGPGGRRAG440 ESGHTVADYL 450 KFKDLILRML460 DYDPKTRIQP470 YYALQHSFFK480 K
|
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Click to Show 3D Structure of This Binding Site
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||||||
| PDB ID: 4YLL Crystal structure of DYRK1AA in complex with 10-Bromo-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5t | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [15] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKEYKPPGT420 RKLHNILGVE430 TGGPGGRRAG440 ESGHTVADYL 450 KFKDLILRML460 DYDPKTRIQP470 YYALQHSFFK480 K
|
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Click to Show 3D Structure of This Binding Site
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||||||
| PDB ID: 6S1J Crystal Structure of DYRK1A with small molecule inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.41 Å | Mutation | No | [16] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKEYKPPGT420 RKLHNILGVE430 TGGPGGRRAG440 ESGHTVADYL 450 KFKDLILRML460 DYDPKTRIQP470 YYALQHSFFK480
|
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Click to Show 3D Structure of This Binding Site
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||||||
| PDB ID: 7O7K Crystal structure of the human DYRK1A kinase domain bound to abemaciclib | ||||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | No | [17] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTKDREYK416 PPGTRKLHNI426 LGVETGGPGG436 RRAGESGHTV 446 ADYLKFKDLI456 LRMLDYDPKT466 RIQPYYALQH476 SFFK
|
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Click to Show 3D Structure of This Binding Site
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| PDB ID: 4MQ1 The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [18] |
| PDB Sequence |
VYNDGYDDDN
144 YDYIVKNGEK154 WMDRYEIDSL164 IGKGSFGQVV174 KAYDRVEQEW184 VAIKIIKNKK 194 AFLNQAQIEV204 RLLELMNKHD214 TEMKYYIVHL224 KRHFMFRNHL234 CLVFEMLSYN 244 LYDLLRNTNF254 RGVSLNLTRK264 FAQQMCTALL274 FLATPELSII284 HCDLKPENIL 294 LCNPKRSAIK304 IVDFGSSCQL314 GQRIYQIQSR325 FYRSPEVLLG335 MPYDLAIDMW 345 SLGCILVEMH355 TGEPLFSGAN365 EVDQMNKIVE375 VLGIPPAHIL385 DQAPKARKFF 395 EKLPDGTWNL405 KKTKDGKREY415 KPPGTRKLHN425 ILGVETGGPG435 GRRAGESGHT 445 VADYLKFKDL455 ILRMLDYDPK465 TRIQPYYALQ475 HSFFK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6S1I Crystal Structure of DYRK1A with small molecule inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [19] |
| PDB Sequence |
VYNDGYDDDN
144 YDYIVKNGEK154 WMDRYEIDSL164 IGKGSFGQVV174 KAYDRVEQEW184 VAIKIIKNKK 194 AFLNQAQIEV204 RLLELMNKHD214 TEMKYYIVHL224 KRHFMFRNHL234 CLVFEMLSYN 244 LYDLLRNTNF254 RGVSLNLTRK264 FAQQMCTALL274 FLATPELSII284 HCDLKPENIL 294 LCNPKRSAIK304 IVDFGSSCQL314 GQRIYQIQSR325 FYRSPEVLLG335 MPYDLAIDMW 345 SLGCILVEMH355 TGEPLFSGAN365 EVDQMNKIVE375 VLGIPPAHIL385 DQAPKARKFF 395 EKLPDGTWNL405 KKTKDGKREY415 KPPGTRKLHN425 ILGVETGGPG435 GRRAGESGHT 445 VADYLKFKDL455 ILRMLDYDPK465 TRIQPYYALQ475 HSFFKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7FHS Crystal structure of DYRK1A in complex with RD0392 | ||||||
| Method | X-ray diffraction | Resolution | 2.42 Å | Mutation | No | [20] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 KK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6S11 Crystal Structure of DYRK1A with small molecule inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.44 Å | Mutation | No | [21] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTKREYKP417 PGTRKLHNIL427 GVETGGPGGR437 RAGESGHTVA 447 DYLKFKDLIL457 RMLDYDPKTR467 IQPYYALQHS477 FFK
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Click to Show 3D Structure of This Binding Site
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| PDB ID: 4YLJ Crystal structure of DYRK1A in complex with 10-Iodo-substituted 11H-indolo[3,2-c]quinoline-6-carboxylic acid inhibitor 5j | ||||||
| Method | X-ray diffraction | Resolution | 2.58 Å | Mutation | No | [15] |
| PDB Sequence |
VYNDGYDDDN
144 YDYIVKNGEK154 WMDRYEIDSL164 IGKGSFGQVV174 KAYDRVEQEW184 VAIKIIKNKK 194 AFLNQAQIEV204 RLLELMNKHD214 TEMKYYIVHL224 KRHFMFRNHL234 CLVFEMLSYN 244 LYDLLRNTNF254 RGVSLNLTRK264 FAQQMCTALL274 FLATPELSII284 HCDLKPENIL 294 LCNPKRSAIK304 IVDFGSSCQL314 GQRIYQIQSR325 FYRSPEVLLG335 MPYDLAIDMW 345 SLGCILVEMH355 TGEPLFSGAN365 EVDQMNKIVE375 VLGIPPAHIL385 DQAPKARKFF 395 EKLPDGTWNL405 KKTKDGKREY415 KPPGTRKLHN425 ILGVETGGPG435 GRRAGESGHT 445 VADYLKFKDL455 ILRMLDYDPK465 TRIQPYYALQ475 HSFFKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7FHT Crystal structure of DYRK1A in complex with RD0448 | ||||||
| Method | X-ray diffraction | Resolution | 2.68 Å | Mutation | No | [20] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 KK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4MQ2 The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [18] |
| PDB Sequence |
YNDGYDDDNY
145 DYIVKNGEKW155 MDRYEIDSLI165 GKGSFGQVVK175 AYDRVEQEWV185 AIKIIKNKKA 195 FLNQAQIEVR205 LLELMNKHDT215 EMKYYIVHLK225 RHFMFRNHLC235 LVFEMLSYNL 245 YDLLRNTNFR255 GVSLNLTRKF265 AQQMCTALLF275 LATPELSIIH285 CDLKPENILL 295 CNPKRSAIKI305 VDFGSSCQLG315 QRIYQIQSRF326 YRSPEVLLGM336 PYDLAIDMWS 346 LGCILVEMHT356 GEPLFSGANE366 VDQMNKIVEV376 LGIPPAHILD386 QAPKARKFFE 396 KLPDGTWNLK406 KTKKREYKPP418 GTRKLHNILG428 VETGGPGGRR438 AGESGHTVAD 448 YLKFKDLILR458 MLDYDPKTRI468 QPYYALQHSF478 FKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:365 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6T6A Crystal structure of DYRK1A complexed with KuFal319 (compound 11) | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [22] |
| PDB Sequence |
VYNDGYDDDN
144 YDYIVKNGEK154 WMDRYEIDSL164 IGKGSFGQVV174 KAYDRVEQEW184 VAIKIIKNKK 194 AFLNQAQIEV204 RLLELMNKHD214 TEMKYYIVHL224 KRHFMFRNHL234 CLVFEMLSYN 244 LYDLLRNTNF254 RGVSLNLTRK264 FAQQMCTALL274 FLATPELSII284 HCDLKPENIL 294 LCNPKRSAIK304 IVDFGSSCQL314 GQRIYQIQSR325 FYRSPEVLLG335 MPYDLAIDMW 345 SLGCILVEMH355 TGEPLFSGAN365 EVDQMNKIVE375 VLGIPPAHIL385 DQAPKARKFF 395 EKLPDGTWNL405 KKTKDGKREY415 KPPGTRKLHN425 ILGVETGGPG435 GRRAGESGHT 445 VADYLKFKDL455 ILRMLDYDPK465 TRIQPYYALQ475 HSFFKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:365 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4YU2 Crystal structure of DYRK1A with harmine-derivatized AnnH-75 inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [23] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTKDGKRE414 YKPPGTRKLH424 NILGVETGGP434 GGRRAGESGH 444 TVADYLKFKD454 LILRMLDYDP464 KTRIQPYYAL474 QHSFFKKT
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6QU2 Crystal structure of DYRK1A complexed with FC162 inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [24] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTKDGKRE414 YKPPGTRKLH424 NILGVETGGP434 GGRRAGESGH 444 TVADYLKFKD454 LILRMLDYDP464 KTRIQPYYAL474 QHSFFKKT
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Click to Show 3D Structure of This Binding Site
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| PDB ID: 6UWY DYRK1A bound to a harmine derivative | ||||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | No | [25] |
| PDB Sequence |
VYNDGYDDDN
144 YDYIVKNGEK154 WMDRYEIDSL164 IGKGSFGQVV174 KAYDRVEQEW184 VAIKIIKNKK 194 AFLNQAQIEV204 RLLELMNKHD214 TEMKYYIVHL224 KRHFMFRNHL234 CLVFEMLSYN 244 LYDLLRNTNF254 RGVSLNLTRK264 FAQQMCTALL274 FLATPELSII284 HCDLKPENIL 294 LCNPKRSAIK304 IVDFGSSCQL314 GQRIYQIQSR325 FYRSPEVLLG335 MPYDLAIDMW 345 SLGCILVEMH355 TGEPLFSGAN365 EVDQMNKIVE375 VLGIPPAHIL385 DQAPKARKFF 395 EKLPDGTWNL405 KKTKDGKREY415 KPPGTRKLHN425 ILGVETGGPG435 GRRAGESGHT 445 VADYLKFKDL455 ILRMLDYDPK465 TRIQPYYALQ475 HSFFKK
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Click to Show 3D Structure of This Binding Site
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| PDB ID: 6UIP DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133. | ||||||
| Method | X-ray diffraction | Resolution | 3.70 Å | Mutation | No | [26] |
| PDB Sequence |
KERKVYNDGY
140 DDDNYDYIVK150 NGEKWMDRYE160 IDSLIGKGSF170 GQVVKAYDRV180 EQEWVAIKII 190 KNKKAFLNQA200 QIEVRLLELM210 NKHDTEMKYY220 IVHLKRHFMF230 RNHLCLVFEM 240 LSYNLYDLLR250 NTNFRGVSLN260 LTRKFAQQMC270 TALLFLATPE280 LSIIHCDLKP 290 ENILLCNPKR300 SAIKIVDFGS310 SCQLGQRIYQ320 IQSRFYRSPE331 VLLGMPYDLA 341 IDMWSLGCIL351 VEMHTGEPLF361 SGANEVDQMN371 KIVEVLGIPP381 AHILDQAPKA 391 RKFFEKLPDG401 TWNLKKTREY415 KPPGTRKLHN425 ILGVETGGPG435 GRRAGESGHT 445 VADYLKFKDL455 ILRMLDYDPK465 TRIQPYYALQ475 HSFF
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Click to Show 3D Structure of This Binding Site
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||||||
| PDB ID: 6A1F Crystal structure of human DYRK1A in complex with compound 14 | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [27] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNPKRSAI303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM 344 WSLGCILVEM354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF 394 FEKLPDGTWN404 LKKTKEYKPP418 GTRKLHNILG428 VETGGPGGRR438 AGESGHTVAD 448 YLKFKDLILR458 MLDYDPKTRI468 QPYYALQHSF478 FKKTA
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Click to Show 3D Structure of This Binding Site
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||||||
| PDB ID: 6A1G Crystal structure of human DYRK1A in complex with compound 32 | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [27] |
| PDB Sequence |
KVYNDGYDDD
143 NYDYIVKNGE153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK 193 KAFLNQAQIE203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY 243 NLYDLLRNTN253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI 293 LLCNRSAIKI305 VDFGSSCQLG315 QRIYQIQSRF326 YRSPEVLLGM336 PYDLAIDMWS 346 LGCILVEMHT356 GEPLFSGANE366 VDQMNKIVEV376 LGIPPAHILD386 QAPKARKFFE 396 KLPDGTWNLK406 EYKPPGTRKL423 HNILGVETGG433 PGGRRAGESG443 HTVADYLKFK 453 DLILRMLDYD463 PKTRIQPYYA473 LQHSFFK
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Click to Show 3D Structure of This Binding Site
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||||||
| PDB ID: 7A5D Structure of DYRK1A in complex with compound 16 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
MIVKNGEKWM
156 DRYEIDSLIG166 KGSFGQVVKA176 YDRVEQEWVA186 IKIIKNKKAF196 LNQAQIEVRL 206 LELMNKHDTE216 MKYYIVHLKR226 HFMFRNHLCL236 VFEMLSYNLY246 DLLRNTNFRG 256 VSLNLTRKFA266 QQMCTALLFL276 ATPELSIIHC286 DLKPENILLC296 NPKRSAIKIV 306 DFGSSCQLGQ316 RIYQIQSRFY327 RSPEVLLGMP337 YDLAIDMWSL347 GCILVEMHTG 357 EPLFSGANEV367 DQMNKIVEVL377 GIPPAHILDQ387 APKARKFFEK397 LPDGTWNLKK 407 TKDYKPPGTR421 KLHNILGVET431 GGPGGRRAGE441 SGHTVADYLK451 FKDLILRMLD 461 YDPKTRIQPY471 YALQHSFFKK481
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:365 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 7A4Z Structure of DYRK1A in complex with compound 4 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
MIVKNGEKWM
156 DRYEIDSLIG166 KGSFGQVVKA176 YDRVEQEWVA186 IKIIKNKKAF196 LNQAQIEVRL 206 LELMNKHDTE216 MKYYIVHLKR226 HFMFRNHLCL236 VFEMLSYNLY246 DLLRNTNFRG 256 VSLNLTRKFA266 QQMCTALLFL276 ATPELSIIHC286 DLKPENILLC296 NPKRSAIKIV 306 DFGSSCQLGQ316 RIYQIQSRFY327 RSPEVLLGMP337 YDLAIDMWSL347 GCILVEMHTG 357 EPLFSGANEV367 DQMNKIVEVL377 GIPPAHILDQ387 APKARKFFEK397 LPDGTWNLKK 407 TKDYKPPGTR421 KLHNILGVET431 GGPGGRRAGE441 SGHTVADYLK451 FKDLILRMLD 461 YDPKTRIQPY471 YALQHSFFKK481
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:365 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 7A51 Structure of DYRK1A in complex with compound 5 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
MIVKNGEKWM
156 DRYEIDSLIG166 KGSFGQVVKA176 YDRVEQEWVA186 IKIIKNKKAF196 LNQAQIEVRL 206 LELMNKHDTE216 MKYYIVHLKR226 HFMFRNHLCL236 VFEMLSYNLY246 DLLRNTNFRG 256 VSLNLTRKFA266 QQMCTALLFL276 ATPELSIIHC286 DLKPENILLC296 NPKRSAIKIV 306 DFGSSCQLGQ316 RIYQIQSRFY327 RSPEVLLGMP337 YDLAIDMWSL347 GCILVEMHTG 357 EPLFSGANEV367 DQMNKIVEVL377 GIPPAHILDQ387 APKARKFFEK397 LPDGTWNLKK 407 TKDYKPPGTR421 KLHNILGVET431 GGPGGRRAGE441 SGHTVADYLK451 FKDLILRMLD 461 YDPKTRIQPY471 YALQHSFFKK481
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:365 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7AKA Structure of DYRK1A in complex with compound 54 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [28] |
| PDB Sequence |
PRGHMIVKNG
152 EKWMDRYEID162 SLIGKGSFGQ172 VVKAYDRVEQ182 EWVAIKIIKN192 KKAFLNQAQI 202 EVRLLELMNK212 HDTEMKYYIV222 HLKRHFMFRN232 HLCLVFEMLS242 YNLYDLLRNT 252 NFRGVSLNLT262 RKFAQQMCTA272 LLFLATPELS282 IIHCDLKPEN292 ILLCNPKRSA 302 IKIVDFGSSC312 QLGQRIYQIQ323 SRFYRSPEVL333 LGMPYDLAID343 MWSLGCILVE 353 MHTGEPLFSG363 ANEVDQMNKI373 VEVLGIPPAH383 ILDQAPKARK393 FFEKLPDGTW 403 NLKKYKPPGT420 RKLHNILGVE430 TGGPGGRRAG440 ESGHTVADYL450 KFKDLILRML 460 DYDPKTRIQP470 YYALQHSFFK480 K
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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:319 or .A:320 or .A:322 or .A:323 or .A:332 or .A:366 or .A:390 or .A:393; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 7AJ4 Structure of DYRK1A in complex with compound 5 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [28] |
| PDB Sequence |
VKNGEKWMDR
158 YEIDSLIGKG168 SFGQVVKAYD178 RVEQEWVAIK188 IIKNKKAFLN198 QAQIEVRLLE 208 LMNKHDTEMK218 YYIVHLKRHF228 MFRNHLCLVF238 EMLSYNLYDL248 LRNTNFRGVS 258 LNLTRKFAQQ268 MCTALLFLAT278 PELSIIHCDL288 KPENILLCNP298 KRSAIKIVDF 308 GSSCQLGQRI318 YQIQSRFYRS329 PEVLLGMPYD339 LAIDMWSLGC349 ILVEMHTGEP 359 LFSGANEVDQ369 MNKIVEVLGI379 PPAHILDQAP389 KARKFFEKLP399 DGTWNLKKTK 409 DYKPPGTRKL423 HNILGVETGG433 PGGRRAGESG443 HTVADYLKFK453 DLILRMLDYD 463 PKTRIQPYYA473 LQHSFFKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:365 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 7AJ5 Structure of DYRK1A in complex with compound 10 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [28] |
| PDB Sequence |
VKNGEKWMDR
158 YEIDSLIGKG168 SFGQVVKAYD178 RVEQEWVAIK188 IIKNKKAFLN198 QAQIEVRLLE 208 LMNKHDTEMK218 YYIVHLKRHF228 MFRNHLCLVF238 EMLSYNLYDL248 LRNTNFRGVS 258 LNLTRKFAQQ268 MCTALLFLAT278 PELSIIHCDL288 KPENILLCNP298 KRSAIKIVDF 308 GSSCQLGQRI318 YQIQSRFYRS329 PEVLLGMPYD339 LAIDMWSLGC349 ILVEMHTGEP 359 LFSGANEVDQ369 MNKIVEVLGI379 PPAHILDQAP389 KARKFFEKLP399 DGTWNLKKTK 409 DGYKPPGTRK422 LHNILGVETG432 GPGGRRAGES442 GHTVADYLKF452 KDLILRMLDY 462 DPKTRIQPYY472 ALQHSFFKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:365 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 7AJ8 Structure of DYRK1A in complex with compound 25 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [28] |
| PDB Sequence |
IVKNGEKWMD
157 RYEIDSLIGK167 GSFGQVVKAY177 DRVEQEWVAI187 KIIKNKKAFL197 NQAQIEVRLL 207 ELMNKHDTEM217 KYYIVHLKRH227 FMFRNHLCLV237 FEMLSYNLYD247 LLRNTNFRGV 257 SLNLTRKFAQ267 QMCTALLFLA277 TPELSIIHCD287 LKPENILLCN297 PKRSAIKIVD 307 FGSSCQLGQR317 IYQIQSRFYR328 SPEVLLGMPY338 DLAIDMWSLG348 CILVEMHTGE 358 PLFSGANEVD368 QMNKIVEVLG378 IPPAHILDQA388 PKARKFFEKL398 PDGTWNLKKT 408 KDYKPPGTRK422 LHNILGVETG432 GPGGRRAGES442 GHTVADYLKF452 KDLILRMLDY 462 DPKTRIQPYY472 ALQHSFFKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:365 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 7AKL Structure of DYRK1A in complex with compound 50 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [28] |
| PDB Sequence |
IVKNGEKWMD
157 RYEIDSLIGK167 GSFGQVVKAY177 DRVEQEWVAI187 KIIKNKKAFL197 NQAQIEVRLL 207 ELMNKHDTEM217 KYYIVHLKRH227 FMFRNHLCLV237 FEMLSYNLYD247 LLRNTNFRGV 257 SLNLTRKFAQ267 QMCTALLFLA277 TPELSIIHCD287 LKPENILLCN297 PKRSAIKIVD 307 FGSSCQLGQR317 IYQIQSRFYR328 SPEVLLGMPY338 DLAIDMWSLG348 CILVEMHTGE 358 PLFSGANEVD368 QMNKIVEVLG378 IPPAHILDQA388 PKARKFFEKL398 PDGTWNLKKT 408 KDYKPPGTRK422 LHNILGVETG432 GPGGRRAGES442 GHTVADYLKF452 KDLILRMLDY 462 DPKTRIQPYY472 ALQHSFFKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:365 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 7A5L tructure of DYRK1A in complex with compound 24 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
MIVKNGEKWM
156 DRYEIDSLIG166 KGSFGQVVKA176 YDRVEQEWVA186 IKIIKNKKAF196 LNQAQIEVRL 206 LELMNKHDTE216 MKYYIVHLKR226 HFMFRNHLCL236 VFEMLSYNLY246 DLLRNTNFRG 256 VSLNLTRKFA266 QQMCTALLFL276 ATPELSIIHC286 DLKPENILLC296 NPKRSAIKIV 306 DFGSSCQLGQ316 RIYQIQSRFY327 RSPEVLLGMP337 YDLAIDMWSL347 GCILVEMHTG 357 EPLFSGANEV367 DQMNKIVEVL377 GIPPAHILDQ387 APKARKFFEK397 LPDGTWNLKK 407 TKDYKPPGTR421 KLHNILGVET431 GGPGGRRAGE441 SGHTVADYLK451 FKDLILRMLD 461 YDPKTRIQPY471 YALQHSFFKK481
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:365 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 7AJ2 Structure of DYRK1A in complex with compound 3 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [28] |
| PDB Sequence |
IVKNGEKWMD
157 RYEIDSLIGK167 GSFGQVVKAY177 DRVEQEWVAI187 KIIKNKKAFL197 NQAQIEVRLL 207 ELMNKHDTEM217 KYYIVHLKRH227 FMFRNHLCLV237 FEMLSYNLYD247 LLRNTNFRGV 257 SLNLTRKFAQ267 QMCTALLFLA277 TPELSIIHCD287 LKPENILLCN297 PKRSAIKIVD 307 FGSSCQLGQR317 IYQIQSRFYR328 SPEVLLGMPY338 DLAIDMWSLG348 CILVEMHTGE 358 PLFSGANEVD368 QMNKIVEVLG378 IPPAHILDQA388 PKARKFFEKL398 PDGTWNLKKT 408 KDYKPPGTRK422 LHNILGVETG432 GPGGRRAGES442 GHTVADYLKF452 KDLILRMLDY 462 DPKTRIQPYY472 ALQHSFFKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:365 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 7AJV Structure of DYRK1A in complex with compound 38 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [28] |
| PDB Sequence |
RGHMIVKNGE
153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK193 KAFLNQAQIE 203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY243 NLYDLLRNTN 253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI293 LLCNPKRSAI 303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM344 WSLGCILVEM 354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF394 FEKLPDGTWN 404 LKKTKEYKPP418 GTRKLHNILG428 VETGGPGGRR438 AGESGHTVAD448 YLKFKDLILR 458 MLDYDPKTRI468 QPYYALQHSF478 FKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:366 or .A:390 or .A:393; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 7AK2 Structure of DYRK1A in complex with compound 53 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [28] |
| PDB Sequence |
RGHMIVKNGE
153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK193 KAFLNQAQIE 203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY243 NLYDLLRNTN 253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI293 LLCNPKRSAI 303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM344 WSLGCILVEM 354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF394 FEKLPDGTWN 404 LKKTKDEYKP417 PGTRKLHNIL427 GVETGGPGGR437 RAGESGHTVA447 DYLKFKDLIL 457 RMLDYDPKTR467 IQPYYALQHS477 FFKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:366 or .A:390 or .A:393; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 7A53 Structure of DYRK1A in complex with compound 7 | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [1] |
| PDB Sequence |
PRGHMIVKNG
152 EKWMDRYEID162 SLIGKGSFGQ172 VVKAYDRVEQ182 EWVAIKIIKN192 KKAFLNQAQI 202 EVRLLELMNK212 HDTEMKYYIV222 HLKRHFMFRN232 HLCLVFEMLS242 YNLYDLLRNT 252 NFRGVSLNLT262 RKFAQQMCTA272 LLFLATPELS282 IIHCDLKPEN292 ILLCNPKRSA 302 IKIVDFGSSC312 QLGQRIYQIQ323 SRFYRSPEVL333 LGMPYDLAID343 MWSLGCILVE 353 MHTGEPLFSG363 ANEVDQMNKI373 VEVLGIPPAH383 ILDQAPKARK393 FFEKLPDGTW 403 NLKKTEYKPP418 GTRKLHNILG428 VETGGPGGRR438 AGESGHTVAD448 YLKFKDLILR 458 MLDYDPKTRI468 QPYYALQHSF478 FKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 7AJA Structure of DYRK1A in complex with compound 28 | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [28] |
| PDB Sequence |
IVKNGEKWMD
157 RYEIDSLIGK167 GSFGQVVKAY177 DRVEQEWVAI187 KIIKNKKAFL197 NQAQIEVRLL 207 ELMNKHDTEM217 KYYIVHLKRH227 FMFRNHLCLV237 FEMLSYNLYD247 LLRNTNFRGV 257 SLNLTRKFAQ267 QMCTALLFLA277 TPELSIIHCD287 LKPENILLCN297 PKRSAIKIVD 307 FGSSCQLGQR317 IYQIQSRFYR328 SPEVLLGMPY338 DLAIDMWSLG348 CILVEMHTGE 358 PLFSGANEVD368 QMNKIVEVLG378 IPPAHILDQA388 PKARKFFEKL398 PDGTWNLKKT 408 KDYKPPGTRK422 LHNILGVETG432 GPGGRRAGES442 GHTVADYLKF452 KDLILRMLDY 462 DPKTRIQPYY472 ALQHSFFKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:365 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 7AJY Structure of DYRK1A in complex with compound 51 | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [28] |
| PDB Sequence |
RGHMIVKNGE
153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK193 KAFLNQAQIE 203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY243 NLYDLLRNTN 253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI293 LLCNPKRSAI 303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM344 WSLGCILVEM 354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF394 FEKLPDGTWN 404 LKKTKEYKPP418 GTRKLHNILG428 VETGGPGGRR438 AGESGHTVAD448 YLKFKDLILR 458 MLDYDPKTRI468 QPYYALQHSF478 FKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:328 or .A:390 or .A:393; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 7A5N Structure of DYRK1A in complex with compound 34 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [1] |
| PDB Sequence |
RGHMIVKNGE
153 KWMDRYEIDS163 LIGKGSFGQV173 VKAYDRVEQE183 WVAIKIIKNK193 KAFLNQAQIE 203 VRLLELMNKH213 DTEMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY243 NLYDLLRNTN 253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI293 LLCNPKRSAI 303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM344 WSLGCILVEM 354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF394 FEKLPDGTWN 404 LKKTKDEYKP417 PGTRKLHNIL427 GVETGGPGGR437 RAGESGHTVA447 DYLKFKDLIL 457 RMLDYDPKTR467 IQPYYALQHS477 FFKK
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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:310 or .A:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 7AKE Structure of DYRK1A in complex with compound 58 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [28] |
| PDB Sequence |
VPRGHMIVKN
151 GEKWMDRYEI161 DSLIGKGSFG171 QVVKAYDRVE181 QEWVAIKIIK191 NKKAFLNQAQ 201 IEVRLLELMN211 KHDMKYYIVH223 LKRHFMFRNH233 LCLVFEMLSY243 NLYDLLRNTN 253 FRGVSLNLTR263 KFAQQMCTAL273 LFLATPELSI283 IHCDLKPENI293 LLCNPKRSAI 303 KIVDFGSSCQ313 LGQRIYQIQS324 RFYRSPEVLL334 GMPYDLAIDM344 WSLGCILVEM 354 HTGEPLFSGA364 NEVDQMNKIV374 EVLGIPPAHI384 LDQAPKARKF394 FEKLPDGTWN 404 LKKTYKPPGT420 RKLHNILGVE430 TGGPGGRRAG440 ESGHTVADYL450 KFKDLILRML 460 DYDPKTRIQP470 YYALQHSFFK480 K
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Click to Show 3D Structure of This Binding Site
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||||||
| PDB ID: 7OY6 Crystal structure of human DYRK1A in complex with ARN25068 | ||||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [29] |
| PDB Sequence |
VYNDGYDDDN
144 YDYIVKNGEK154 WMDRYEIDSL164 IGKGSFGQVV174 KAYDRVEQEW184 VAIKIIKNKK 194 AFLNQAQIEV204 RLLELMNKHD214 TEMKYYIVHL224 KRHFMFRNHL234 CLVFEMLSYN 244 LYDLLRNTNF254 RGVSLNLTRK264 FAQQMCTALL274 FLATPELSII284 HCDLKPENIL 294 LCNPKRSAIK304 IVDFGSSCQL314 GQRIYQIQSR325 FYRSPEVLLG335 MPYDLAIDMW 345 SLGCILVEMH355 TGEPLFSGAN365 EVDQMNKIVE375 VLGIPPAHIL385 DQAPKARKFF 395 EKLPDGTWNL405 KKTREYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 KK
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Click to Show 3D Structure of This Binding Site
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||||||
| PDB ID: 7AJW Structure of DYRK1A in complex with compound 46 | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [28] |
| PDB Sequence |
VKNGEKWMDR
158 YEIDSLIGKG168 SFGQVVKAYD178 RVEQEWVAIK188 IIKNKKAFLN198 QAQIEVRLLE 208 LMNKHDTEMK218 YYIVHLKRHF228 MFRNHLCLVF238 EMLSYNLYDL248 LRNTNFRGVS 258 LNLTRKFAQQ268 MCTALLFLAT278 PELSIIHCDL288 KPENILLCNP298 KRSAIKIVDF 308 GSSCQLGQRI318 YQIQSRFYRS329 PEVLLGMPYD339 LAIDMWSLGC349 ILVEMHTGEP 359 LFSGANEVDQ369 MNKIVEVLGI379 PPAHILDQAP389 KARKFFEKLP399 DGTWNLKKTK 409 DEYKPPGTRK422 LHNILGVETG432 GPGGRRAGES442 GHTVADYLKF452 KDLILRMLDY 462 DPKTRIQPYY472 ALQHSFFKK
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:365 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7AKB Structure of DYRK1A in complex with compound 56 | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [28] |
| PDB Sequence |
PRGHMIVKNG
152 EKWMDRYEID162 SLIGKGSFGQ172 VVKAYDRVEQ182 EWVAIKIIKN192 KKAFLNQAQI 202 EVRLLELMNK212 HDTEMKYYIV222 HLKRHFMFRN232 HLCLVFEMLS242 YNLYDLLRNT 252 NFRGVSLNLT262 RKFAQQMCTA272 LLFLATPELS282 IIHCDLKPEN292 ILLCNPKRSA 302 IKIVDFGSSC312 QLGQRIYQIQ323 SRFYRSPEVL333 LGMPYDLAID343 MWSLGCILVE 353 MHTGEPLFSG363 ANEVDQMNKI373 VEVLGIPPAH383 ILDQAPKARK393 FFEKLPDGTW 403 NLKKYKPPGT420 RKLHNILGVE430 TGGPGGRRAG440 ESGHTVADYL450 KFKDLILRML 460 DYDPKTRIQP470 YYALQHSFFK480 K
|
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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:319 or .A:320 or .A:322 or .A:323 or .A:332 or .A:366 or .A:390 or .A:393; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7AJ7 Structure of DYRK1A in complex with compound 16 | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [28] |
| PDB Sequence |
VKNGEKWMDR
158 YEIDSLIGKG168 SFGQVVKAYD178 RVEQEWVAIK188 IIKNKKAFLN198 QAQIEVRLLE 208 LMNKHDTEMK218 YYIVHLKRHF228 MFRNHLCLVF238 EMLSYNLYDL248 LRNTNFRGVS 258 LNLTRKFAQQ268 MCTALLFLAT278 PELSIIHCDL288 KPENILLCNP298 KRSAIKIVDF 308 GSSCQLGQRI318 YQIQSRFYRS329 PEVLLGMPYD339 LAIDMWSLGC349 ILVEMHTGEP 359 LFSGANEVDQ369 MNKIVEVLGI379 PPAHILDQAP389 KARKFFEKLP399 DGTWNLKKTK 409 DYKPPGTRKL423 HNILGVETGG433 PGGRRAGESG443 HTVADYLKFK453 DLILRMLDYD 463 PKTRIQPYYA473 LQHSFFKK
|
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:365 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7A4S Structure of DYRK1A in complex with compound 2 | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [1] |
| PDB Sequence |
VKNGEKWMDR
158 YEIDSLIGKG168 SFGQVVKAYD178 RVEQEWVAIK188 IIKNKKAFLN198 QAQIEVRLLE 208 LMNKHDTEMK218 YYIVHLKRHF228 MFRNHLCLVF238 EMLSYNLYDL248 LRNTNFRGVS 258 LNLTRKFAQQ268 MCTALLFLAT278 PELSIIHCDL288 KPENILLCNP298 KRSAIKIVDF 308 GSSCQLGQRI318 YQIQSRFYRS329 PEVLLGMPYD339 LAIDMWSLGC349 ILVEMHTGEP 359 LFSGANEVDQ369 MNKIVEVLGI379 PPAHILDQAP389 KARKFFEKLP399 DGTWNLKKTK 409 DREYKPPGTR421 KLHNILGVET431 GGPGGRRAGE441 SGHTVADYLK451 FKDLILRMLD 461 YDPKTRIQPY471 YALQHSFFKK481
|
|||||
|
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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:365 or .A:366; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7A4R Structure of DYRK1A in complex with compound 1 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
VPRGHMIVKN
151 GEKWMDRYEI161 DSLIGKGSFG171 QVVKAYDRVE181 QEWVAIKIIK191 NKKAFLNQAQ 201 IEVRLLELMN211 KHDTEMKYYI221 VHLKRHFMFR231 NHLCLVFEML241 SYNLYDLLRN 251 TNFRGVSLNL261 TRKFAQQMCT271 ALLFLATPEL281 SIIHCDLKPE291 NILLCNPKRS 301 AIKIVDFGSS311 CQLGQRIYQI322 QSRFYRSPEV332 LLGMPYDLAI342 DMWSLGCILV 352 EMHTGEPLFS362 GANEVDQMNK372 IVEVLGIPPA382 HILDQAPKAR392 KFFEKLPDGT 402 WNLKKTKDEY415 KPPGTRKLHN425 ILGVETGGPG435 GRRAGESGHT445 VADYLKFKDL 455 ILRMLDYDPK465 TRIQPYYALQ475 HSFFA
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| PDB ID: 7A52 Structure of DYRK1A in complex with compound 6 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
VPRGHMIVKN
151 GEKWMDRYEI161 DSLIGKGSFG171 QVVKAYDRVE181 QEWVAIKIIK191 NKKAFLNQAQ 201 IEVRLLELMN211 KHDTEMKYYI221 VHLKRHFMFR231 NHLCLVFEML241 SYNLYDLLRN 251 TNFRGVSLNL261 TRKFAQQMCT271 ALLFLATPEL281 SIIHCDLKPE291 NILLCNPKRS 301 AIKIVDFGSS311 CQLGQRIYQI322 QSRFYRSPEV332 LLGMPYDLAI342 DMWSLGCILV 352 EMHTGEPLFS362 GANEVDQMNK372 IVEVLGIPPA382 HILDQAPKAR392 KFFEKLPDGT 402 WNLKKTKDEY415 KPPGTRKLHN425 ILGVETGGPG435 GRRAGESGHT445 VADYLKFKDL 455 ILRMLDYDPK465 TRIQPYYALQ475 HSFFAA
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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:319 or .A:320 or .A:322 or .A:323 or .A:328 or .A:366 or .A:390 or .A:393; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7AJS Structure of DYRK1A in complex with compound 33 | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [28] |
| PDB Sequence |
VPRGHMIVKN
151 GEKWMDRYEI161 DSLIGKGSFG171 QVVKAYDRVE181 QEWVAIKIIK191 NKKAFLNQAQ 201 IEVRLLELMN211 KHDTEMKYYI221 VHLKRHFMFR231 NHLCLVFEML241 SYNLYDLLRN 251 TNFRGVSLNL261 TRKFAQQMCT271 ALLFLATPEL281 SIIHCDLKPE291 NILLCNPKRS 301 AIKIVDFGSS311 CQLGQRIYQI322 QSRFYRSPEV332 LLGMPYDLAI342 DMWSLGCILV 352 EMHTGEPLFS362 GANEVDQMNK372 IVEVLGIPPA382 HILDQAPKAR392 KFFEKLPDGT 402 WNLKKTKDEY415 KPPGTRKLHN425 ILGVETGGPG435 GRRAGESGHT445 VADYLKFKDL 455 ILRMLDYDPK465 TRIQPYYALQ475 HSFFA
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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:319 or .A:320 or .A:322 or .A:323 or .A:328 or .A:366 or .A:390 or .A:393; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7AJM Structure of DYRK1A in complex with compound 32 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [28] |
| PDB Sequence |
VPRGHMIVKN
151 GEKWMDRYEI161 DSLIGKGSFG171 QVVKAYDRVE181 QEWVAIKIIK191 NKKAFLNQAQ 201 IEVRLLELMN211 KHDTEMKYYI221 VHLKRHFMFR231 NHLCLVFEML241 SYNLYDLLRN 251 TNFRGVSLNL261 TRKFAQQMCT271 ALLFLATPEL281 SIIHCDLKPE291 NILLCNPKRS 301 AIKIVDFGSS311 CQLGQRIYQI322 QSRFYRSPEV332 LLGMPYDLAI342 DMWSLGCILV 352 EMHTGEPLFS362 GANEVDQMNK372 IVEVLGIPPA382 HILDQAPKAR392 KFFEKLPDGT 402 WNLKKTKDEY415 KPPGTRKLHN425 ILGVETGGPG435 GRRAGESGHT445 VADYLKFKDL 455 ILRMLDYDPK465 TRIQPYYALQ475 HSFFA
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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:319 or .A:320 or .A:322 or .A:323 or .A:366 or .A:390 or .A:393; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6LN1 A natural inhibitor of DYRK1A for treatment of diabetes mellitus | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [30] |
| PDB Sequence |
VYNDGYDDDN
144 YDYIVKNGEK154 WMDRYEIDSL164 IGKGSFGQVV174 KAYDRVEQEW184 VAIKIIKNKK 194 AFLNQAQIEV204 RLLELMNKHD214 TEMKYYIVHL224 KRHFMFRNHL234 CLVFEMLSYN 244 LYDLLRNTNF254 RGVSLNLTRK264 FAQQMCTALL274 FLATPELSII284 HCDLKPENIL 294 LCNPKRSAIK304 IVDFGSSCQL314 GQRIYQIQSR325 FYRSPEVLLG335 MPYDLAIDMW 345 SLGCILVEMH355 TGEPLFSGAN365 EVDQMNKIVE375 VLGIPPAHIL385 DQAPKARKFF 395 EKLPDGTWNL405 KKRFEYKPPG419 TRKLHNILGV429 ETGGPGGRRA439 GESGHTVADY 449 LKFKDLILRM459 LDYDPKTRIQ469 PYYALQHSFF479 K
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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:319 or .A:320 or .A:322 or .A:323 or .A:325 or .A:328 or .A:332 or .A:365 or .A:366; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J Med Chem. 2021 Jul 8;64(13):8971-8991. | ||||
| REF 2 | Screening of a Halogen-Enriched Fragment Library Leads to Unconventional Binding Modes. J Med Chem. 2022 Nov 10;65(21):14539-14552. | ||||
| REF 3 | Structures of Down syndrome kinases, DYRKs, reveal mechanisms of kinase activation and substrate recognition. Structure. 2013 Jun 4;21(6):986-96. | ||||
| REF 4 | Dyrk1A with Ldn-211898 | ||||
| REF 5 | 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 6 | Probing the ATP-Binding Pocket of Protein Kinase DYRK1A with Benzothiazole Fragment Molecules. J Med Chem. 2016 Nov 10;59(21):9814-9824. | ||||
| REF 7 | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J Med Chem. 2018 Sep 13;61(17):7560-7572. | ||||
| REF 8 | Development of a novel selective inhibitor of the Down syndrome-related kinase Dyrk1A. Nat Commun. 2010 Oct 5;1:86. | ||||
| REF 9 | The structure of a dual-specificity tyrosine phosphorylation-regulated kinase 1A-PKC412 complex reveals disulfide-bridge formation with the anomalous catalytic loop HRD(HCD) cysteine. Acta Crystallogr D Biol Crystallogr. 2015 May;71(Pt 5):1207-15. | ||||
| REF 10 | DYRK1A with PST001 | ||||
| REF 11 | Kinase Scaffold Repurposing in the Public Domain | ||||
| REF 12 | Kinase Scaffold Repurposing in the Public Domain | ||||
| REF 13 | Kinase Scaffold Repurposing in the Public Domain | ||||
| REF 14 | Kinase Scaffold Repurposing in the Public Domain | ||||
| REF 15 | 10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acids are selective inhibitors of DYRK1A. J Med Chem. 2015 Apr 9;58(7):3131-43. | ||||
| REF 16 | Kinase Scaffold Repurposing in the Public Domain | ||||
| REF 17 | Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation. Nat Commun. 2021 Nov 16;12(1):6607. | ||||
| REF 18 | Pyrido[2,3-d]pyrimidines: discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg Med Chem Lett. 2013 Dec 15;23(24):6610-5. | ||||
| REF 19 | Mining Public Domain Data to Develop Selective DYRK1A Inhibitors. ACS Med Chem Lett. 2020 Jun 30;11(8):1620-1626. | ||||
| REF 20 | Structure-activity relationship for the folding intermediate-selective inhibition of DYRK1A. Eur J Med Chem. 2022 Jan 5;227:113948. | ||||
| REF 21 | Kinase Scaffold Repurposing in the Public Domain | ||||
| REF 22 | [b]-Annulated Halogen-Substituted Indoles as Potential DYRK1A Inhibitors. Molecules. 2019 Nov 13;24(22):4090. | ||||
| REF 23 | How to Separate Kinase Inhibition from Undesired Monoamine Oxidase A Inhibition-The Development of the DYRK1A Inhibitor AnnH75 from the Alkaloid Harmine. Molecules. 2020 Dec 16;25(24):5962. | ||||
| REF 24 | Crystal structure of DYRK1A complexed with FC162 inhibitor | ||||
| REF 25 | Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human beta-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor. J Med Chem. 2020 Mar 26;63(6):2986-3003. | ||||
| REF 26 | Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133. J Med Chem. 2020 Mar 26;63(6):2958-2973. | ||||
| REF 27 | Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives. Bioorg Med Chem Lett. 2018 Nov 1;28(20):3333-3337. | ||||
| REF 28 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J Med Chem. 2021 May 27;64(10):6745-6764. | ||||
| REF 29 | 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 30 | A natural DYRK1A inhibitor as a potential stimulator for beta-cell proliferation in diabetes. Clin Transl Med. 2021 Jul;11(7):e494. | ||||
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