8ROZ
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8P71
| 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
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8P79
| 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
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8P6Z
| 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
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8P6W
| 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
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8P70
| 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
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8P73
| 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
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8P74
| 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
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8P75
| 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
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8P76
| 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
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8P6X
| 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
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8P77
| 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
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8P78
| 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
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8P72
| 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
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8PLZ
| 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
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8PYR
| 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
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8VQ4
| CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | Descriptor: | (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | Deposit date: | 2024-01-17 | Release date: | 2024-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes. Biorxiv, 2024
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8VQ3
| CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | Descriptor: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | Deposit date: | 2024-01-17 | Release date: | 2024-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes. Biorxiv, 2024
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8I0L
| Structure of CDK9/cyclin T1 in complex with inhibitor | Descriptor: | 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-T1, Cyclin-dependent kinase 9 | Authors: | Jiang, C, Ye, Y, Huang, Y. | Deposit date: | 2023-01-11 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structure of CDK9/cyclin T1 in complex with inhibitor To Be Published
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8K5R
| 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
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8P81
| Crystal structure of human Cdk12/Cyclin K in complex with inhibitor SR-4835 | Descriptor: | Cyclin-K, Cyclin-dependent kinase 12, ~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine | Authors: | Anand, K, Schmitz, M, Geyer, M. | Deposit date: | 2023-05-31 | Release date: | 2023-11-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | The reversible inhibitor SR-4835 binds Cdk12/cyclin K in a noncanonical G-loop conformation. J.Biol.Chem., 300, 2023
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8H4R
| The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, G1/S-specific cyclin-E1, ... | Authors: | Gui, W, Wang, F, Cheng, W, Gao, J, Huang, Y, Ouyang, Z. | Deposit date: | 2022-10-11 | Release date: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus To Be Published
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8BUM
| Structure of DDB1 bound to DS15-engaged CDK12-cyclin K | Descriptor: | (2R)-2-[[6-(5-naphthalen-1-ylpentylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | Deposit date: | 2022-11-30 | Release date: | 2023-09-20 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BU2
| Structure of DDB1 bound to DS18-engaged CDK12-cyclin K | Descriptor: | Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ... | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | Deposit date: | 2022-11-30 | Release date: | 2023-09-13 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUI
| Structure of DDB1 bound to DRF-053-engaged CDK12-cyclin K | Descriptor: | (2~{R})-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)amino]purin-2-yl]amino]butan-1-ol, 1,2-ETHANEDIOL, Cyclin-K, ... | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | Deposit date: | 2022-11-30 | Release date: | 2023-09-13 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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