Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T58470 | Target Info | |||
| Target Name | Cyclin A2 (CCNA2) | ||||
| Synonyms | Cyclin-A2; Cyclin-A; Cyclin A; CCNA | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | CCNA2 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphonothreonine | Ligand Info | |||
| Canonical SMILES | CC(C(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 | ||||
| InChIKey | USRGIUJOYOXOQJ-GBXIJSLDSA-N | ||||
| PubChem Compound ID | 3246323 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7MKX Crystal Structure Analysis of human CDK2 and CCNA2 complex | ||||||
| Method | X-ray diffraction | Resolution | 3.08 Å | Mutation | No | [1] |
| PDB Sequence |
VNEVPDYHED
181 IHTYLREMEV191 KCKPKVGYMK201 KQPDITNSMR211 AILVDWLVEV221 GEEYKLQNET 231 LHLAVNYIDR241 FLSSMSVLRG251 KLQLVGTAAM261 LLASKFEEIY271 PPEVAEFVYI 281 TDDTYTKKQV291 LRMEHLVLKV301 LTFDLAAPTV311 NQFLTQYFLH321 QQPANCKVES 331 LAMFLGELSL341 IDADPYLKYL351 PSVIAGAAFH361 LALYTVTGQS371 WPESLIRKTG 381 YTLESLKPCL391 MDLHQTYLKA401 PQHAQQSIRE411 KYKNSKYHGV421 SLLNPPETLN 431 L
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| PDB ID: 4CFV Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [2] |
| PDB Sequence |
GVNEVPDYHE
180 DIHTYLREME190 VKCKPKVGYM200 KKQPDITNSM210 RAILVDWLVE220 VGEEYKLQNE 230 TLHLAVNYID240 RFLSSMSVLR250 GKLQLVGTAA260 MLLASKFEEI270 YPPEVAEFVY 280 ITDDTYTKKQ290 VLRMEHLVLK300 VLTFDLAAPT310 INQFLTQYFL320 HQQPANCKVE 330 SLAMFLGELS340 LIDADPYLKY350 LPSVIAAAAF360 HLALYTVTGQ370 SWPESLVQKT 380 GYTLETLKPC390 LLDLHQTYLR400 APQHAQQSIR410 EKYKNSKYHG420 VSLLNPPETL 430 NL
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| PDB ID: 4BCK Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [3] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITDDT 285 YTKKQVLRME295 HLVLKVLTFD305 LAAPTVNQFL315 TQYFLHQQPA325 NCKVESLAMF 335 LGELSLIDAD345 PYLKYLPSVI355 AGAAFHLALY365 TVTGQSWPES375 LIRKTGYTLE 385 SLKPCLMDLH395 QTYLKAPQHA405 QQSIREKYKN415 SKYHGVSLLN425 PPETLNL |
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| PDB ID: 4BCN Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [3] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITDDT 285 YTKKQVLRME295 HLVLKVLTFD305 LAAPTVNQFL315 TQYFLHQQPA325 NCKVESLAMF 335 LGELSLIDAD345 PYLKYLPSVI355 AAAAFHLALY365 TVTGQSWPES375 LIRKTGYTLE 385 SLKPCLLDLH395 QTYLRAPKHA405 QQSIREKYKN415 SKYHGVSLLN425 PPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4CFU Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [2] |
| PDB Sequence |
GVNEVPDYHE
180 DIHTYLREME190 VKCKPKVGYM200 KKQPDITNSM210 RAILVDWLVE220 VGEEYKLQNE 230 TLHLAVNYID240 RFLSSMSVLR250 GKLQLVGTAA260 MLLASKFEEI270 YPPEVAEFVY 280 ITDDTYTKKQ290 VLRMEHLVLK300 VLAFDLAAPT310 INQFLTQYFL320 HQQPANCKVE 330 SLAMFLGELS340 LIDADPYLKY350 LPSVIAAAAF360 HLALYTVTGQ370 SWPESLVQKT 380 GYTLETLKPC390 LLDLHQTYLR400 APQHAQQSIR410 EKYKNSKYHG420 VSLLNPPETL 430 NL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4BCP Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [4] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITDDT 285 YTKKQVLRME295 HLVLKVLTFD305 LAAPTVNQFL315 TQYFLHQQPA325 NCKVESLAMF 335 LGELSLIDAD345 PYLKYLPSVI355 AGAAFHLALY365 TVTGQSWPES375 LIRKTGYTLE 385 SLKPCLMDLH395 QTYLKAPQHA405 QQSIREKYKN415 SKYHGVSLLN425 PPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4BCM Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [3] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITDDT 285 YTKKQVLRME295 HLVLKVLTFD305 LAAPTVNQFL315 TQYFLHQQPA325 NCKVESLAMF 335 LGELSLIDAD345 PYLKYLPSVI355 AGAAFHLALY365 TVTGQSWPES375 LIRKTGYTLE 385 SLKPCLMDLH395 QTYLKAPQHA405 QQSIREKYKN415 SKYHGVSLLN425 PPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1E9H Thr 160 phosphorylated CDK2 - Human cyclin A3 complex with the inhibitor indirubin-5-sulphonate bound | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [5] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2CCH The crystal structure of CDK2 cyclin A in complex with a substrate peptide derived from CDC modified with a gamma-linked ATP analogue | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [6] |
| PDB Sequence |
NEVPDYHEDI
182 HTYLREMEVK192 CKPKVGYMKK202 QPDITNSMRA212 ILVDWLVEVG222 EEYKLQNETL 232 HLAVNYIDRF242 LSSMSVLRGK252 LQLVGTAAML262 LASKFEEIYP272 PEVAEFVYIT 282 DDTYTKKQVL292 RMEHLVLKVL302 TFDLAAPTVN312 QFLTQYFLHQ322 QPANCKVESL 332 AMFLGELSLI342 DADPYLKYLP352 SVIAGAAFHL362 ALYTVTGQSW372 PESLIRKTGY 382 TLESLKPCLM392 DLHQTYLKAP402 QHAQQSIREK412 YKNSKYHGVS422 LLNPPETLNL 432
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1OIU Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [7] |
| PDB Sequence |
DYHEDIHTYL
186 REMEVKCKPK196 VGYMKKQPDI206 TNSMRAILVD216 WLVEVGEEYK226 LQNETLHLAV 236 NYIDRFLSSM246 SVLRGKLQLV256 GTAAMLLASK266 FEEIYPPEVA276 EFVYITDDTY 286 TKKQVLRMEH296 LVLKVLTFDL306 AAPTVNQFLT316 QYFLHQQPAN326 CKVESLAMFL 336 GELSLIDADP346 YLKYLPSVIA356 GAAFHLALYT366 VTGQSWPESL376 IRKTGYTLES 386 LKPCLMDLHQ396 TYLKAPQHAQ406 QSIREKYKNS416 KYHGVSLLNP426 PETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:268 or .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2IW9 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [8] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITTYT 287 KKQVLRMEHL297 VLKVLTFDLA307 APTVNQFLTQ317 YFLHQQPANC327 KVESLAMFLG 337 ELSLIDADPY347 LKYLPSVIAG357 AAFHLALYTV367 TGQSWPESLI377 RKTGYTLESL 387 KPCLMDLHQT397 YLKAPQHAQQ407 SIREKYKNSK417 YHGVSLLNPP427 ETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5CYI CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300) | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [9] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1OI9 Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [7] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2IW6 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [8] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITDDT 285 YTKKQVLRME295 HLVLKVLTFD305 LAAPTVNQFL315 TQYFLHQQPA325 NCKVESLAMF 335 LGELSLIDAD345 PYLKYLPSVI355 AGAAFHLALY365 TVTGQSWPES375 LIRKTGYTLE 385 SLKPCLMDLH395 QTYLKAPQHA405 QQSIREKYKN415 SKYHGVSLLN425 PPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2IW8 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A F82H-L83V-H84D MUTANT WITH AN O6-CYCLOHEXYLMETHYLGUANINE INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [8] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITTYT 287 KKQVLRMEHL297 VLKVLTFDLA307 APTVNQFLTQ317 YFLHQQPANC327 KVESLAMFLG 337 ELSLIDADPY347 LKYLPSVIAG357 AAFHLALYTV367 TGQSWPESLI377 RKTGYTLESL 387 KPCLMDLHQT397 YLKAPQHAQQ407 SIREKYKNSK417 YHGVSLLNPP427 ETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1OIY Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [7] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:268 or .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1OGU STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 2-ARYLAMINO-4-CYCLOHEXYLMETHYL-5-NITROSO-6-AMINOPYRIMIDINE INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [10] |
| PDB Sequence |
YHEDIHTYLR
187 EMEVKCKPKV197 GYMKKQPDIT207 NSMRAILVDW217 LVEVGEEYKL227 QNETLHLAVN 237 YIDRFLSSMS247 VLRGKLQLVG257 TAAMLLASKF267 EEIYPPEVAE277 FVYITTYTKK 289 QVLRMEHLVL299 KVLTFDLAAP309 TVNQFLTQYF319 LHQQPANCKV329 ESLAMFLGEL 339 SLIDADPYLK349 YLPSVIAGAA359 FHLALYTVTG369 QSWPESLIRK379 TGYTLESLKP 389 CLMDLHQTYL399 KAPQHAQQSI409 REKYKNSKYH419 GVSLLNPPET429 LNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5NEV CDK2/Cyclin A in complex with compound 73 | ||||||
| Method | X-ray diffraction | Resolution | 2.97 Å | Mutation | No | [11] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPET |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4CFX Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | ||||||
| Method | X-ray diffraction | Resolution | 3.50 Å | Mutation | No | [2] |
| PDB Sequence |
NEVPDYHEDI
182 HTYLREMEVK192 CKPKVGYMKK202 QPDITNSMRA212 ILVDWLVEVG222 EEYKLQNETL 232 HLAVNYIDRF242 LSSMSVLRGK252 LQLVGTAAML262 LASKFEEIYP272 PEVAEFVYIT 282 DDTYTKKQVL292 RMEHLVLKVL302 TFDLAAPTVN312 QFLTQYFLHQ322 QPANCKVESL 332 AMFLGELSLI342 DADPYLKYLP352 SVIAGAAFHL362 ALYTVTGQSW372 PESLIRKTGY 382 TLESLKPCLM392 DLHQTYLKAP402 QHAQQSIREK412 YKNSKYHGVS422 LLNPPETLNL 432
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:268 or .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1QMZ PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [12] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4EOJ Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with ATP | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [13] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITDDT 285 YTKKQVLRME295 HLVLKVLTFD305 LAAPTVNQFL315 TQYFLHQQPA325 NCKVESLAMF 335 LGELSLIDAD345 PYLKYLPSVI355 AGAAFHLALY365 TVTGQSWPES375 LIRKTGYTLE 385 SLKPCLMDLH395 QTYLKAPQHA405 QQSIREKYKN415 SKYHGVSLLN425 PPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7QHL Crystal structure of Cyclin-dependent kinase 2/cyclin A in complex with 3,5,7-Substituted pyrazolo[4,3-d]pyrimidine inhibitor 24 | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [14] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7ACK CDK2/cyclin A2 in complex with an imidazo[1,2-c]pyrimidin-5-one inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [15] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4EOP Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with the inhibitor RO3306 | ||||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | Yes | [13] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITDDT 285 YTKKQVLRME295 HLVLKVLTFD305 LAAPTVNQFL315 TQYFLHQQPA325 NCKVESLAMF 335 LGELSLIDAD345 PYLKYLPSVI355 AGAAFHLALY365 TVTGQSWPES375 LIRKTGYTLE 385 SLKPCLMDLH395 QTYLKAPQHA405 QQSIREKYKN415 SKYHGVSLLN425 PPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:268 or .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1H1R Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6086 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [16] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1H1S Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6102 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [16] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4EOI Thr 160 phosphorylated CDK2 K89D, Q131E - human cyclin A3 complex with the inhibitor RO3306 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [13] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1H1P Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU2058 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [16] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4EOM Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with ATP | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [13] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITDDT 285 YTKKQVLRME295 HLVLKVLTFD305 LAAPTVNQFL315 TQYFLHQQPA325 NCKVESLAMF 335 LGELSLIDAD345 PYLKYLPSVI355 AGAAFHLALY365 TVTGQSWPES375 LIRKTGYTLE 385 SLKPCLMDLH395 QTYLKAPQHA405 QQSIREKYKN415 SKYHGVSLLN425 PPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4EOO Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with ATP | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [13] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4EOQ Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with ATP | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [13] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITDDT 285 YTKKQVLRME295 HLVLKVLTFD305 LAAPTVNQFL315 TQYFLHQQPA325 NCKVESLAMF 335 LGELSLIDAD345 PYLKYLPSVI355 AGAAFHLALY365 TVTGQSWPES375 LIRKTGYTLE 385 SLKPCLMDLH395 QTYLKAPQHA405 QQSIREKYKN415 SKYHGVSLLN425 PPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6GVA CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR4455 | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [17] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4CFN Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [2] |
| PDB Sequence |
DYHEDIHTYL
186 REMEVKCKPK196 VGYMKKQPDI206 TNSMRAILVD216 WLVEVGEEYK226 LQNETLHLAV 236 NYIDRFLSSM246 SVLRGKLQLV256 GTAAMLLASK266 FEEIYPPEVA276 EFVYITTYTK 288 KQVLRMEHLV298 LKVLTFDLAA308 PTVNQFLTQY318 FLHQQPANCK328 VESLAMFLGE 338 LSLIDADPYL348 KYLPSVIAGA358 AFHLALYTVT368 GQSWPESLIR378 KTGYTLESLK 388 PCLMDLHQTY398 LKAPQHAQQS408 IREKYKNSKY418 HGVSLLNPPE428 TLNL |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4EOR Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor NU6102 | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [13] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITDDT 285 YTKKQVLRME295 HLVLKVLTFD305 LAAPTVNQFL315 TQYFLHQQPA325 NCKVESLAMF 335 LGELSLIDAD345 PYLKYLPSVI355 AGAAFHLALY365 TVTGQSWPES375 LIRKTGYTLE 385 SLKPCLMDLH395 QTYLKAPQHA405 QQSIREKYKN415 SKYHGVSLLN425 PPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6RIJ CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436 | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [18] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITDDT 285 YTKKQVLRME295 HLVLKVLTFD305 LAAPTVNQFL315 TQYFLHQQPA325 NCKVESLAMF 335 LGELSLIDAD345 PYLKYLPSVI355 AGAAFHLALY365 TVTGQSWPES375 LIRKTGYTLE 385 SLKPCLMDLH395 QTYLKAPQHA405 QQSIREKYKN415 SKYHGVSLLN425 PPETLN |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1P5E The structure of phospho-CDK2/cyclin A in complex with the inhibitor 4,5,6,7-tetrabromobenzotriazole (TBS) | ||||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | Yes | [19] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1PKD THE CRYSTAL STRUCTURE OF UCN-01 IN COMPLEX WITH PHOSPHO-CDK2/CYCLIN A | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [20] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2CJM Mechanism of CDK inhibition by active site phosphorylation: CDK2 Y15p T160p in complex with cyclin A structure | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [21] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITDDT 285 YTKKQVLRME295 HLVLKVLTFD305 LAAPTVNQFL315 TQYFLHQQPA325 NCKVESLAMF 335 LGELSLIDAD345 PYLKYLPSVI355 AGAAFHLALY365 TVTGQSWPES375 LIRKTGYTLE 385 SLKPCLMDLH395 QTYLKAPQHA405 QQSIREKYKN415 SKYHGVSLLN425 PPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:268 or .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2UZE Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [22] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2UZL Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [22] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITDDT 285 YTKKQVLRME295 HLVLKVLTFD305 LAAPTVNQFL315 TQYFLHQQPA325 NCKVESLAMF 335 LGELSLIDAD345 PYLKYLPSVI355 AGAAFHLALY365 TVTGQSWPES375 LIRKTGYTLE 385 SLKPCLMDLH395 QTYLKAPQHA405 QQSIREKYKN415 SKYHGVSLLN425 PPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4EOL Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor RO3306 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [13] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITDDT 285 YTKKQVLRME295 HLVLKVLTFD305 LAAPTVNQFL315 TQYFLHQQPA325 NCKVESLAMF 335 LGELSLIDAD345 PYLKYLPSVI355 AGAAFHLALY365 TVTGQSWPES375 LIRKTGYTLE 385 SLKPCLMDLH395 QTYLKAPQHA405 QQSIREKYKN415 SKYHGVSLLN425 PPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:268 or .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4EON Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with the inhibitor RO3306 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [13] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITDDT 285 YTKKQVLRME295 HLVLKVLTFD305 LAAPTVNQFL315 TQYFLHQQPA325 NCKVESLAMF 335 LGELSLIDAD345 PYLKYLPSVI355 AGAAFHLALY365 TVTGQSWPES375 LIRKTGYTLE 385 SLKPCLMDLH395 QTYLKAPQHA405 QQSIREKYKN415 SKYHGVSLLN425 PPETLNL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5LMK Structure of phopsho-CDK2-cyclin A in complex with an ATP-competitive inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [23] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4CFW Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | ||||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [2] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1H1Q Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6094 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [16] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7B7S CDK2/cyclin A2 in complex with 3H-pyrazolo[4,3-f]quinoline-based derivative HSD1368 | ||||||
| Method | X-ray diffraction | Resolution | 2.54 Å | Mutation | No | [24] |
| PDB Sequence |
DYHEDIHTYL
186 REMEVKCKPK196 VGYMKKQPDI206 TNSMRAILVD216 WLVEVGEEYK226 LQNETLHLAV 236 NYIDRFLSSM246 SVLRGKLQLV256 GTAAMLLASK266 FEEIYPPEVA276 EFVYITDDTY 286 TKKQVLRMEH296 LVLKVLTFDL306 AAPTVNQFLT316 QYFLHQQPAN326 CKVESLAMFL 336 GELSLIDADP346 YLKYLPSVIA356 GAAFHLALYT366 VTGQSWPESL376 IRKTGYTLES 386 LKPCLMDLHQ396 TYLKAPQHAQ406 QSIREKYKNS416 KYHGVSLLNP426 PETL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4EOK Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor NU6102 | ||||||
| Method | X-ray diffraction | Resolution | 2.57 Å | Mutation | Yes | [13] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:268 or .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4EOS Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor RO3306 | ||||||
| Method | X-ray diffraction | Resolution | 2.57 Å | Mutation | No | [13] |
| PDB Sequence |
PDYHEDIHTY
185 LREMEVKCKP195 KVGYMKKQPD205 ITNSMRAILV215 DWLVEVGEEY225 KLQNETLHLA 235 VNYIDRFLSS245 MSVLRGKLQL255 VGTAAMLLAS265 KFEEIYPPEV275 AEFVYITDDT 285 YTKKQVLRME295 HLVLKVLTFD305 LAAPTVNQFL315 TQYFLHQQPA325 NCKVESLAMF 335 LGELSLIDAD345 PYLKYLPSVI355 AGAAFHLALY365 TVTGQSWPES375 LIRKTGYTLE 385 SLKPCLMDLH395 QTYLKAPQHA405 QQSIREKYKN415 SKYHGVSLLN425 PPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1JST PHOSPHORYLATED CYCLIN-DEPENDENT KINASE-2 BOUND TO CYCLIN A | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [25] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:268 or .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2C6T Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.61 Å | Mutation | No | [26] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1GY3 pCDK2/cyclin A in complex with MgADP, nitrate and peptide substrate | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [27] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2CCI Crystal structure of phospho-CDK2 Cyclin A in complex with a peptide containing both the substrate and recruitment sites of CDC6 | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [6] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2UZB Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [22] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2UZD Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.72 Å | Mutation | No | [22] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4CFM Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | ||||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [2] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:269 or .B:270; 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 | Crystal Structure Analysis of human CDK2 and CCNA2 complex | ||||
| REF 2 | 8-Substituted O(6)-cyclohexylmethylguanine CDK2 inhibitors: using structure-based inhibitor design to optimize an alternative binding mode. J Med Chem. 2014 Jan 9;57(1):56-70. | ||||
| REF 3 | Comparative structural and functional studies of 4-(thiazol-5-yl)-2-(phenylamino)pyrimidine-5-carbonitrile CDK9 inhibitors suggest the basis for isotype selectivity. J Med Chem. 2013 Feb 14;56(3):660-70. | ||||
| REF 4 | Substituted 4-(thiazol-5-yl)-2-(phenylamino)pyrimidines are highly active CDK9 inhibitors: synthesis, X-ray crystal structures, structure-activity relationship, and anticancer activities. J Med Chem. 2013 Feb 14;56(3):640-59. | ||||
| REF 5 | Inhibitor binding to active and inactive CDK2: the crystal structure of CDK2-cyclin A/indirubin-5-sulphonate. Structure. 2001 May 9;9(5):389-97. | ||||
| REF 6 | The role of the phospho-CDK2/cyclin A recruitment site in substrate recognition. J Biol Chem. 2006 Aug 11;281(32):23167-79. | ||||
| REF 7 | N2-substituted O6-cyclohexylmethylguanine derivatives: potent inhibitors of cyclin-dependent kinases 1 and 2. J Med Chem. 2004 Jul 15;47(15):3710-22. | ||||
| REF 8 | Dissecting the determinants of cyclin-dependent kinase 2 and cyclin-dependent kinase 4 inhibitor selectivity. J Med Chem. 2006 Sep 7;49(18):5470-7. | ||||
| REF 9 | Identification and Characterization of an Irreversible Inhibitor of CDK2. Chem Biol. 2015 Sep 17;22(9):1159-64. | ||||
| REF 10 | Structure-based design of 2-arylamino-4-cyclohexylmethyl-5-nitroso-6-aminopyrimidine inhibitors of cyclin-dependent kinases 1 and 2. Bioorg Med Chem Lett. 2003 Sep 15;13(18):3079-82. | ||||
| REF 11 | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines. J Med Chem. 2017 Mar 9;60(5):1746-1767. | ||||
| REF 12 | The structural basis for specificity of substrate and recruitment peptides for cyclin-dependent kinases. Nat Cell Biol. 1999 Nov;1(7):438-43. | ||||
| REF 13 | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem Biol. 2012 Aug 24;19(8):1028-40. | ||||
| REF 14 | 3,5,7-Substituted Pyrazolo[4,3-d]Pyrimidine Inhibitors of Cyclin-Dependent Kinases and Cyclin K Degraders. J Med Chem. 2022 Jul 14;65(13):8881-8896. | ||||
| REF 15 | Imidazo[1,2-c]pyrimidin-5(6H)-one inhibitors of CDK2: Synthesis, kinase inhibition and co-crystal structure. Eur J Med Chem. 2021 Apr 15;216:113309. | ||||
| REF 16 | Structure-based design of a potent purine-based cyclin-dependent kinase inhibitor. Nat Struct Biol. 2002 Oct;9(10):745-9. | ||||
| REF 17 | 3,5,7-Substituted Pyrazolo[4,3- d]pyrimidine Inhibitors of Cyclin-Dependent Kinases and Their Evaluation in Lymphoma Models. J Med Chem. 2019 May 9;62(9):4606-4623. | ||||
| REF 18 | CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436 | ||||
| REF 19 | Alternative binding modes of an inhibitor to two different kinases. Eur J Biochem. 2003 Aug;270(15):3174-81. | ||||
| REF 20 | The Crystal Structure of UCN-01 in Complex with Phospho-CDK2/Cyclin A | ||||
| REF 21 | How tyrosine 15 phosphorylation inhibits the activity of cyclin-dependent kinase 2-cyclin A. J Biol Chem. 2007 Feb 2;282(5):3173-81. | ||||
| REF 22 | Discovery of a potent CDK2 inhibitor with a novel binding mode, using virtual screening and initial, structure-guided lead scoping. Bioorg Med Chem Lett. 2007 Jul 15;17(14):3880-5. | ||||
| REF 23 | Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines. Eur J Med Chem. 2017 Jan 27;126:1118-1128. | ||||
| REF 24 | 3H-Pyrazolo[4,3-f]quinoline-Based Kinase Inhibitors Inhibit the Proliferation of Acute Myeloid Leukemia Cells In Vivo. J Med Chem. 2021 Aug 12;64(15):10981-10996. | ||||
| REF 25 | Structural basis of cyclin-dependent kinase activation by phosphorylation. Nat Struct Biol. 1996 Aug;3(8):696-700. | ||||
| REF 26 | Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1353-7. | ||||
| REF 27 | Structural studies on phospho-CDK2/cyclin A bound to nitrate, a transition state analogue: implications for the protein kinase mechanism. Biochemistry. 2002 Jun 11;41(23):7301-11. | ||||
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