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PDB: 307 results

4BCP
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BU of 4bcp by Molmil
Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-04-17
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56, 2013
4BCK
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BU of 4bck by Molmil
Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-03-06
Method:X-RAY DIFFRACTION (2.052 Å)
Cite: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., 56, 2013
4CFW
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BU of 4cfw by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
Descriptor: 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylbenzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2
Authors:Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
Deposit date:2013-11-19
Release date:2013-12-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4BCJ
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BU of 4bcj by Molmil
Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-01-09
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (3.162 Å)
Cite: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., 56, 2013
4CXA
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BU of 4cxa by Molmil
Crystal structure of the human CDK12-cyclin K complex bound to AMPPNP
Descriptor: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Nowak, R, Goubin, S, Mahajan, R.P, Kopec, J, Froese, S, Tallant, C, Carpenter, E.P, Mackenzie, A, Faust, B, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2014-04-04
Release date:2014-05-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding.
Sci.Rep., 5, 2015
4CRL
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BU of 4crl by Molmil
Crystal structure of human CDK8-Cyclin C in complex with cortistatin A
Descriptor: CORTISTATIN A, CYCLIN-C, CYCLIN-DEPENDENT KINASE 8, ...
Authors:Myers, A.G, Shair, M.D.
Deposit date:2014-02-27
Release date:2015-09-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mediator Kinase Inhibition Further Activates Super-Enhancer- Associated Genes in Aml
Nature, 526, 2015
8ORM
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BU of 8orm by Molmil
Cryo-EM structure of CAK-THZ1
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-04-14
Release date:2023-08-30
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
8K5R
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BU of 8k5r by Molmil
CDK9/cyclin T1 in complex with KB-0742
Descriptor: (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine, Cyclin-T1, Cyclin-dependent kinase 9
Authors:Zhou, M, Li, H, Gao, H, Trotter, B.W, Freeman, D.
Deposit date:2023-07-24
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.751 Å)
Cite:Discovery of KB-0742, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of CDK9 for MYC-Dependent Cancers.
J.Med.Chem., 66, 2023
8P6Y
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BU of 8p6y by Molmil
Cryo-EM structure of CAK in complex with nucleotide analogue ATPgS
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2023-08-30
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
8P6V
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BU of 8p6v by Molmil
Cryo-EM structure of CAK in complex with inhibitor ICEC0942
Descriptor: (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2023-08-30
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
8PYR
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BU of 8pyr by Molmil
Crystal structure of the dual T-loop phosphorylated Cdk7/CycH/Mat1 complex
Descriptor: 1,2-ETHANEDIOL, CDK-activating kinase assembly factor MAT1, Cyclin-H, ...
Authors:Anand, K, Duster, R, Geyer, M.
Deposit date:2023-07-26
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis of Cdk7 activation by dual T-loop phosphorylation.
Biorxiv, 2024
8P72
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BU of 8p72 by Molmil
Cryo-EM structure of CAK in complex with inhibitor ICEC0768
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
8PLZ
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BU of 8plz by Molmil
Cryo-EM structure of CAK in complex with inhibitor CT7030
Descriptor: (3~{R},4~{R})-4-[[[7-[(2-methoxyphenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-06-27
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
8P6W
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BU of 8p6w by Molmil
Cryo-EM structure of CAK in complex with inhibitor BS-181
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
8P70
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BU of 8p70 by Molmil
Cryo-EM structure of CAK in complex with inhibitor ICEC0510-S
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
8P6Z
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BU of 8p6z by Molmil
Cryo-EM structure of CAK in complex with inhibitor ICEC0510-R
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
8P73
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BU of 8p73 by Molmil
Cryo-EM structure of CAK in complex with inhibitor ICEC0829
Descriptor: (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol, (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol, CDK-activating kinase assembly factor MAT1, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
8P6X
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BU of 8p6x by Molmil
Cryo-EM structure of CAK in complex with inhibitor BS-194
Descriptor: (2S,3S)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
8P74
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BU of 8p74 by Molmil
Cryo-EM structure of CAK in complex with inhibitor ICEC0880 (ring-up conformation)
Descriptor: (2S,3S)-3-[[7-[(2-bromophenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
8P75
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BU of 8p75 by Molmil
Cryo-EM structure of CAK in complex with inhibitor ICEC0880 (ring-down conformation)
Descriptor: (2S,3S)-3-[[7-[(2-bromophenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
8P71
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BU of 8p71 by Molmil
Cryo-EM structure of CAK in complex with inhibitor ICEC0574
Descriptor: (3R,4S)-4-[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
8P77
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BU of 8p77 by Molmil
Cryo-EM structure of CAK in complex with inhibitor ICEC0943
Descriptor: (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (1.8 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
8P76
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BU of 8p76 by Molmil
Cryo-EM structure of CAK in complex with inhibitor ICEC0914
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
8P78
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BU of 8p78 by Molmil
Cryo-EM structure of CAK in complex with inhibitor dinaciclib
Descriptor: 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, CDK-activating kinase assembly factor MAT1, Cyclin-H, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
8P79
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BU of 8p79 by Molmil
Cryo-EM structure of CAK with averaged inhibitor density
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (1.7 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024

221716

數據於2024-06-26公開中

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