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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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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6A32
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8S98
| Crystal structure of the TYK2 pseudokinase domain in complex with compound 8 | 分子名称: | (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | 登録日 | 2023-03-27 | 公開日 | 2023-07-26 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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8S9A
| Crystal structure of the TYK2 pseudokinase domain in complex with TAK-279 | 分子名称: | (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | 著者 | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | 登録日 | 2023-03-27 | 公開日 | 2023-07-26 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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8S99
| Crystal structure of the TYK2 pseudokinase domain in complex with compound 11 | 分子名称: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | 著者 | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | 登録日 | 2023-03-27 | 公開日 | 2023-07-26 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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8S9F
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7B8W
| Structure of LIMK1 Kinase domain with allosteric inhibitor TH-470 | 分子名称: | 1,2-ETHANEDIOL, 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide, LIM domain kinase 1 | 著者 | Lee, H, Yosaatmadja, Y, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Elkins, J.M. | 登録日 | 2020-12-13 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of LIMK1 Kinase domain with allosteric inhibitor TH-470 To Be Published
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8QQY
| Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with JG165 | 分子名称: | 1,2-ETHANEDIOL, 6-(4-fluoranyl-3-methoxy-phenyl)-13$l^{6}-thia-2,4,8,12,19-pentazatricyclo[12.3.1.1^{3,7}]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide, Ephrin type-A receptor 2 | 著者 | Zhubi, R, Gerninghaus, J, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | 登録日 | 2023-10-06 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with JG165 To Be Published
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8RRQ
| Crystal structure of human SYK in complex with compound 24 | 分子名称: | GLYCEROL, N-[(1S,2R)-2-azanylcyclohexyl]-5-[2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide, Tyrosine-protein kinase SYK | 著者 | Canevari, G. | 登録日 | 2024-01-23 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery and optimization of 4-pyrazolyl-2-aminopyrimidine derivatives as potent spleen tyrosine kinase (SYK) inhibitors. Eur.J.Med.Chem., 270, 2024
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7CQE
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8RRZ
| Crystal structure of SYK kinase in complex with compound 1 | 分子名称: | GLYCEROL, N-[(2S)-1-(azetidin-1-yl)propan-2-yl]-3-{2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl}-1-methyl-1H-pyrazole-5-carboxamide, Tyrosine-protein kinase SYK | 著者 | Canevari, G. | 登録日 | 2024-01-24 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery and optimization of 4-pyrazolyl-2-aminopyrimidine derivatives as potent spleen tyrosine kinase (SYK) inhibitors. Eur.J.Med.Chem., 270, 2024
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7CC2
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8TB5
| TYK2 JH2 bound to Compound7 | 分子名称: | ACETATE ION, N-{(3P)-3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-5-yl}cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Argiriadi, M.A, Van Epps, S.A, Breinlinger, E.C. | 登録日 | 2023-06-28 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Targeting the Tyrosine Kinase 2 (TYK2) Pseudokinase Domain: Discovery of the Selective TYK2 Inhibitor ABBV-712. J.Med.Chem., 66, 2023
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8TB6
| TYK2 JH2 bound to Compound14 | 分子名称: | N-[(3M)-3-{6-[(3R)-3-methoxyoxolan-3-yl]pyridin-2-yl}-1-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]urea, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Argiriadi, M.A, Van Epps, S.A, Breinlinger, E.C. | 登録日 | 2023-06-28 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Targeting the Tyrosine Kinase 2 (TYK2) Pseudokinase Domain: Discovery of the Selective TYK2 Inhibitor ABBV-712. J.Med.Chem., 66, 2023
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8SLZ
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8SWE
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7DT2
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7D5O
| C-Src in complex with TAS-120 | 分子名称: | 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src | 著者 | Qu, L.Z, Chen, Y.H. | 登録日 | 2020-09-27 | 公開日 | 2021-12-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors Commun Chem, 5, 2022
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7DXL
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7DTZ
| FGFR4 complex with a covalent inhibitor | 分子名称: | Fibroblast growth factor receptor 4, N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide, SULFATE ION | 著者 | Chen, X.J, Dai, S.Y, Chen, Y.H. | 登録日 | 2021-01-07 | 公開日 | 2021-04-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Investigation of Covalent Warheads in the Design of 2-Aminopyrimidine-based FGFR4 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7DU8
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7DHL
| Crystal structure of FGFR3 in complex with pyrimidine derivative | 分子名称: | 5-[2-(3,5-dimethoxyphenyl)ethyl]-N-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine, Fibroblast growth factor receptor 3 | 著者 | Echizen, Y, Tateishi, Y, Amano, Y. | 登録日 | 2020-11-16 | 公開日 | 2021-02-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Synthesis and structure-activity relationships of pyrimidine derivatives as potent and orally active FGFR3 inhibitors with both increased systemic exposure and enhanced in vitro potency. Bioorg.Med.Chem., 33, 2021
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