8TL6
| Cryo-EM structure of DDB1deltaB-DDA1-DCAF5 | 分子名称: | DDB1- and CUL4-associated factor 5, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1 | 著者 | Yue, H, Hunkeler, M, Roy Burman, S.S, Fischer, E.S. | 登録日 | 2023-07-26 | 公開日 | 2024-04-03 | 最終更新日 | 2024-04-17 | 実験手法 | ELECTRON MICROSCOPY (2.63 Å) | 主引用文献 | Targeting DCAF5 suppresses SMARCB1-mutant cancer by stabilizing SWI/SNF. Nature, 628, 2024
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5ACB
| Crystal Structure of the Human Cdk12-Cyclink Complex | 分子名称: | CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | 著者 | Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Mackenzie, A, Goubin, S, Strain-Damerell, C, Mahajan, P, Tallant, C, Chalk, R, Wiggers, H, Kopec, J, Fitzpatrick, F, Burgess-Brown, N, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | 登録日 | 2015-08-14 | 公開日 | 2016-06-15 | 最終更新日 | 2016-10-05 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors. Nat.Chem.Biol., 12, 2016
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5E7R
| Crystal structure of TL10-81 bound to TAK1-TAB1 | 分子名称: | 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide, TAK1 kinase - TAB1 chimera fusion protein | 著者 | Gurbani, D, Hunter, J.C, Tan, L, Chen, Z, Westover, K.D. | 登録日 | 2015-10-13 | 公開日 | 2016-09-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
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5TWY
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5TWZ
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5V9L
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5V71
| KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder | 分子名称: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Westover, K, Lu, J. | 登録日 | 2017-03-17 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.228 Å) | 主引用文献 | KRAS G12C Drug Development: Discrimination between Switch II Pocket Configurations Using Hydrogen/Deuterium-Exchange Mass Spectrometry. Structure, 25, 2017
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5V9O
| KRAS G12C inhibitor | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Westover, K, Lu, J. | 登録日 | 2017-03-23 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C. Cell Chem Biol, 24, 2017
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5WA5
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD11-50 | 分子名称: | 1,2-ETHANEDIOL, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | 著者 | Xu, X, Blacklow, S.C. | 登録日 | 2017-06-24 | 公開日 | 2018-07-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.172 Å) | 主引用文献 | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6YG5
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6YG0
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6YZ4
| Crystal structure of MKK7 (MAP2K7) with ibrutinib bound at allosteric site | 分子名称: | 1,2-ETHANEDIOL, 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, DIMETHYL SULFOXIDE, ... | 著者 | Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-05-06 | 公開日 | 2020-08-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities. Cell Chem Biol, 27, 2020
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6UX9
| Crystal Structure Analysis of PIP4K2A | 分子名称: | N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | 著者 | Seo, H.-S, Dhe-Paganon, S. | 登録日 | 2019-11-07 | 公開日 | 2020-12-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Discovery and Structure-Activity Relationship Study of ( Z )-5-Methylenethiazolidin-4-one Derivatives as Potent and Selective Pan-phosphatidylinositol 5-Phosphate 4-Kinase Inhibitors. J.Med.Chem., 63, 2020
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6VAJ
| Crystal Structure Analysis of human PIN1 | 分子名称: | 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ... | 著者 | Seo, H.-S, Dhe-Paganon, S. | 登録日 | 2019-12-17 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Sulfopin is a covalent inhibitor of Pin1 that blocks Myc-driven tumors in vivo. Nat.Chem.Biol., 17, 2021
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8ELC
| Human JNK2 bound to covalent inhibitor YL2056 | 分子名称: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide, Mitogen-activated protein kinase 9 | 著者 | Li, L, Gurbani, D, Westover, K.D. | 登録日 | 2022-09-23 | 公開日 | 2023-06-28 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.072 Å) | 主引用文献 | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1. J.Med.Chem., 66, 2023
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8EME
| EGFR(T790M/V948R) in complex with ZNL-0056 | 分子名称: | Epidermal growth factor receptor, N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide | 著者 | Beyett, T.S, Eck, M.J. | 登録日 | 2022-09-27 | 公開日 | 2023-10-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | 主引用文献 | Molecular Bidents with Two Electrophilic Warheads as a New Pharmacological Modality Acs Cent.Sci., 2024
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3K5V
| Structure of Abl kinase in complex with imatinib and GNF-2 | 分子名称: | 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... | 著者 | Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A. | 登録日 | 2009-10-08 | 公開日 | 2010-01-19 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors. Nature, 463, 2010
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7SZC
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7SZD
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7SZB
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7SZA
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7TEU
| Crystal structure of JAK2 JH1 with type II inhibitor YLIU-04-105-1 | 分子名称: | 3-{(4S)-2-[(cyclopropanecarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide, GLYCEROL, Tyrosine-protein kinase JAK2 | 著者 | Hubbard, S.R. | 登録日 | 2022-01-05 | 公開日 | 2023-06-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | New scaffolds for type II JAK2 inhibitors overcome the acquired G993A resistance mutation. Cell Chem Biol, 30, 2023
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6XL4
| EGFR(T790M/V948R) in complex with AZD9291 and DDC4002 | 分子名称: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ... | 著者 | Heppner, D.E, Beyett, T.S, Eck, M.J. | 登録日 | 2020-06-28 | 公開日 | 2021-06-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors. Nat Commun, 13, 2022
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6YG1
| Crystal structure of MKK7 (MAP2K7) in an active state, allosterically triggered by the N-terminal helix | 分子名称: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, SODIUM ION | 著者 | Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC), Scottish Structural Proteomics Facility (SSPF) | 登録日 | 2020-03-27 | 公開日 | 2020-08-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities. Cell Chem Biol, 27, 2020
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6YFZ
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