8VQ4
| CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | 分子名称: | (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 | 著者 | 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. | 登録日 | 2024-01-17 | 公開日 | 2024-01-31 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 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. | 分子名称: | (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 | 著者 | 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. | 登録日 | 2024-01-17 | 公開日 | 2024-01-31 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Expanding the ligandable proteome by paralog hopping with covalent probes. Biorxiv, 2024
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8ROZ
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8PYR
| Crystal structure of the dual T-loop phosphorylated Cdk7/CycH/Mat1 complex | 分子名称: | 1,2-ETHANEDIOL, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | 著者 | Anand, K, Duster, R, Geyer, M. | 登録日 | 2023-07-26 | 公開日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural basis of Cdk7 activation by dual T-loop phosphorylation. Biorxiv, 2024
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8K5R
| CDK9/cyclin T1 in complex with KB-0742 | 分子名称: | (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine, Cyclin-T1, Cyclin-dependent kinase 9 | 著者 | Zhou, M, Li, H, Gao, H, Trotter, B.W, Freeman, D. | 登録日 | 2023-07-24 | 公開日 | 2023-12-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.751 Å) | 主引用文献 | 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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8PLZ
| Cryo-EM structure of CAK in complex with inhibitor CT7030 | 分子名称: | (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, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-06-27 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8P81
| Crystal structure of human Cdk12/Cyclin K in complex with inhibitor SR-4835 | 分子名称: | 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 | 著者 | Anand, K, Schmitz, M, Geyer, M. | 登録日 | 2023-05-31 | 公開日 | 2023-11-22 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | The reversible inhibitor SR-4835 binds Cdk12/cyclin K in a noncanonical G-loop conformation. J.Biol.Chem., 300, 2023
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8P6Y
| Cryo-EM structure of CAK in complex with nucleotide analogue ATPgS | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2023-08-30 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8P6V
| Cryo-EM structure of CAK in complex with inhibitor ICEC0942 | 分子名称: | (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, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2023-08-30 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8P71
| Cryo-EM structure of CAK in complex with inhibitor ICEC0574 | 分子名称: | (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, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2 Å) | 主引用文献 | 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 | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7 | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (1.7 Å) | 主引用文献 | 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 | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | 主引用文献 | 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 | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | 主引用文献 | 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 | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2 Å) | 主引用文献 | 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 | 分子名称: | (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, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2 Å) | 主引用文献 | 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) | 分子名称: | (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, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | 主引用文献 | 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) | 分子名称: | (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, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2 Å) | 主引用文献 | 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 | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2 Å) | 主引用文献 | 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 | 分子名称: | (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, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | 主引用文献 | 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 | 分子名称: | (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, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (1.8 Å) | 主引用文献 | 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 | 分子名称: | 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, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | 主引用文献 | 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 | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8ORM
| Cryo-EM structure of CAK-THZ1 | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-04-14 | 公開日 | 2023-08-30 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8I0L
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8BVW
| RNA polymerase II pre-initiation complex with the distal +1 nucleosome (PIC-Nuc18W) | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | 著者 | Abril-Garrido, J, Dienemann, C, Grabbe, F, Velychko, T, Lidschreiber, M, Wang, H, Cramer, P. | 登録日 | 2022-12-20 | 公開日 | 2023-05-03 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Structural basis of transcription reduction by a promoter-proximal +1 nucleosome. Mol.Cell, 83, 2023
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