3L9P
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3POZ
| EGFR Kinase domain complexed with tak-285 | 分子名称: | Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide, SULFATE ION | 著者 | Aertgeerts, K, Skene, R, Sogabe, S. | 登録日 | 2010-11-23 | 公開日 | 2011-03-30 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural Analysis of the Mechanism of Inhibition and Allosteric Activation of the Kinase Domain of HER2 Protein. J.Biol.Chem., 286, 2011
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3PYY
| Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site | 分子名称: | (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ... | 著者 | Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B. | 登録日 | 2010-12-13 | 公開日 | 2011-03-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site. Chem.Biol., 18, 2011
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3PIY
| Crystal structure of BTK kinase domain complexed with R406 | 分子名称: | 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, Tyrosine-protein kinase BTK | 著者 | Kuglstatter, A, Wong, A. | 登録日 | 2010-11-08 | 公開日 | 2011-01-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011
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3PIZ
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3PJ3
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3PJ1
| Crystal structure of BTK kinase domain complexed with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one | 分子名称: | 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Tyrosine-protein kinase BTK | 著者 | Kuglstatter, A, Wong, A. | 登録日 | 2010-11-08 | 公開日 | 2011-01-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011
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5ZTO
| Crystal structure of EGFR 696-1022 T790M/C797S in complex with D3003 | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide | 著者 | Zhu, S.J, Yun, C.H. | 登録日 | 2018-05-04 | 公開日 | 2019-06-12 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.649 Å) | 主引用文献 | Crystal structure of EGFR 696-1022 T790M/C797S in complex with D3003 To Be Published
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6AAJ
| Crystal structure of JAK2 in complex with peficitinib | 分子名称: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK2 | 著者 | Amano, Y, Tateishi, Y. | 登録日 | 2018-07-18 | 公開日 | 2018-08-15 | 最終更新日 | 2023-03-08 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor Bioorg. Med. Chem., 26, 2018
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5ZXB
| Crystal structure of ACK1 with compound 10d | 分子名称: | Activated CDC42 kinase 1, N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide | 著者 | Hong, E.M, Kim, H.L, Sim, T.B. | 登録日 | 2018-05-18 | 公開日 | 2018-09-26 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | 主引用文献 | First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia. J. Med. Chem., 61, 2018
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5ZV2
| FGFR-1 in complex with ligand lenvatinib | 分子名称: | 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide, Fibroblast growth factor receptor 1 | 著者 | Matsuki, M, Hoshi, T, Yamamoto, Y, Ikemori-Kawada, M, Minoshima, Y, Funahashi, Y, Matsui, J. | 登録日 | 2018-05-09 | 公開日 | 2018-07-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Lenvatinib inhibits angiogenesis and tumor fibroblast growth factor signaling pathways in human hepatocellular carcinoma models. Cancer Med, 7, 2018
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6AGX
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5ZZ4
| Crystal structure of bruton's tyrosine kinase in complex with inhibitor 2e | 分子名称: | N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide, Tyrosine-protein kinase BTK | 著者 | Kawahata, W, Asami, T, Irie, T, Kiyoi, T, Taniguchi, H, Asamitsu, Y, Inoue, T, Miyake, T, Sawa, M. | 登録日 | 2018-05-30 | 公開日 | 2018-09-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Design and Synthesis of Novel Amino-triazine Analogues as Selective Bruton's Tyrosine Kinase Inhibitors for Treatment of Rheumatoid Arthritis. J. Med. Chem., 61, 2018
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5ZWJ
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6AAM
| Crystal structure of TYK2 in complex with peficitinib | 分子名称: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Nomura, N, Tomimoto, Y. | 登録日 | 2018-07-18 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor Bioorg. Med. Chem., 26, 2018
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6A32
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6AAH
| Crystal structure of JAK1 in complex with peficitinib | 分子名称: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK1 | 著者 | Amano, Y. | 登録日 | 2018-07-18 | 公開日 | 2018-08-15 | 最終更新日 | 2018-10-24 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor Bioorg. Med. Chem., 26, 2018
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6AAK
| Crystal structure of JAK3 in complex with peficitinib | 分子名称: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK3 | 著者 | Amano, Y. | 登録日 | 2018-07-18 | 公開日 | 2018-08-15 | 最終更新日 | 2018-10-24 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor Bioorg. Med. Chem., 26, 2018
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6AUB
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6AUA
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6ATE
| SRC kinase bound to covalent inhibitor | 分子名称: | N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, Proto-oncogene tyrosine-protein kinase Src | 著者 | Gurbani, D, Westover, K.D. | 登録日 | 2017-08-28 | 公開日 | 2019-02-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | 主引用文献 | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol, 26, 2019
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6B5J
| TNNI3K complexed with a 4,6-diaminopyrimidine | 分子名称: | N-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide, Serine/threonine-protein kinase TNNI3K | 著者 | Shewchuk, L.M, Philp, J. | 登録日 | 2017-09-29 | 公開日 | 2018-04-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | 主引用文献 | 4,6-Diaminopyrimidines as Highly Preferred Troponin I-Interacting Kinase (TNNI3K) Inhibitors. J. Med. Chem., 61, 2018
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6B8U
| Crystals Structure of B-Raf kinase domain in complex with an Imidazopyridinyl benzamide inhibitor | 分子名称: | Serine/threonine-protein kinase B-raf, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide | 著者 | Appleton, B.A, Murray, J, Shafer, C.M. | 登録日 | 2017-10-09 | 公開日 | 2017-11-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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6BBU
| Crystal Structure of JAK1 in complex with compound 25 | 分子名称: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK1 | 著者 | Han, S. | 登録日 | 2017-10-19 | 公開日 | 2018-01-17 | 最終更新日 | 2018-02-21 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases. J. Med. Chem., 61, 2018
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6BBV
| Crystal Structure of JAK2 in complex with compound 25 | 分子名称: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK2 | 著者 | Han, S. | 登録日 | 2017-10-19 | 公開日 | 2018-01-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases. J. Med. Chem., 61, 2018
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