8C1K
 
 | | Aurora A kinase in complex with TPX2-inhibitor CAM2602 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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8C1H
 | | Aurora A kinase in complex with TPX2-inhibitor 8 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.233 Å) | | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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3G0G
 | | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3 | | 分子名称: | 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | | 登録日 | 2009-01-27 | | 公開日 | 2010-02-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
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3G0D
 | | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2 | | 分子名称: | 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | | 登録日 | 2009-01-27 | | 公開日 | 2010-02-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
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3G0C
 | | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione, ... | | 著者 | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | | 登録日 | 2009-01-27 | | 公開日 | 2010-02-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
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3G0B
 | | Crystal structure of dipeptidyl peptidase IV in complex with TAK-322 | | 分子名称: | 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | | 登録日 | 2009-01-27 | | 公開日 | 2010-02-16 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
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3Q7J
 | | Engineered Thermoplasma Acidophilum F3 factor mimics human aminopeptidase N (APN) as a target for anticancer drug development | | 分子名称: | L-phenylalanyl-N6-[(benzyloxy)carbonyl]-N1-hydroxy-L-lysinamide, Tricorn protease-interacting factor F3, ZINC ION | | 著者 | Su, J, Wang, Q, Feng, J, Zhang, C, Zhu, D, We, T, Xu, W, Gu, L. | | 登録日 | 2011-01-05 | | 公開日 | 2011-07-27 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Engineered Thermoplasma acidophilum factor F3 mimics human aminopeptidase N (APN) as a target for anticancer drug development
Bioorg.Med.Chem., 19, 2011
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5V9U
 | | Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C | | 分子名称: | (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | | 著者 | Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y. | | 登録日 | 2017-03-23 | | 公開日 | 2018-02-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
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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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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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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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8KG6
 | | Yeast replisome in state I | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, Chromosome segregation in meiosis protein 3, ... | | 著者 | Dang, S, Zhai, Y, Feng, J, Yu, D, Xu, Z. | | 登録日 | 2023-08-17 | | 公開日 | 2023-12-06 | | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | | 主引用文献 | Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
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8KG8
 | | Yeast replisome in state II | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, DNA (61-mer), ... | | 著者 | Dang, S, Zhai, Y, Feng, J, Yu, D, Xu, Z. | | 登録日 | 2023-08-17 | | 公開日 | 2023-12-06 | | 実験手法 | ELECTRON MICROSCOPY (4.23 Å) | | 主引用文献 | Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
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8KG9
 | | Yeast replisome in state III | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, DNA (61-mer), ... | | 著者 | Dang, S, Zhai, Y, Feng, J, Yu, D, Xu, Z. | | 登録日 | 2023-08-17 | | 公開日 | 2023-12-06 | | 実験手法 | ELECTRON MICROSCOPY (4.52 Å) | | 主引用文献 | Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
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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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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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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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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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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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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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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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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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8P7L
 | | Cryo-EM structure of CDK7 subunit of CAK in complex with inhibitor LDC4297 | | 分子名称: | 2-[(3S)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine, CDK-activating kinase assembly factor MAT1, 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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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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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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