7YC9
| Co-crystal structure of BTK kinase domain with inhibitor | 分子名称: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK | 著者 | Zhou, X. | 登録日 | 2022-07-01 | 公開日 | 2023-05-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases. J.Med.Chem., 66, 2023
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7XHY
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7YAW
| Crystal structure of ZAK in complex with compound YH-180 | 分子名称: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide | 著者 | Kong, L.L, Yun, C.H. | 登録日 | 2022-06-28 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov). J.Med.Chem., 66, 2023
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7YAZ
| Crystal structure of ZAK in complex with compound YH-186 | 分子名称: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-[3-[(3~{S})-1-propanoylpyrrolidin-3-yl]oxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl]-1,2,3-triazol-1-yl]phenyl]-3-phenyl-benzenesulfonamide | 著者 | Kong, L.L, Yun, C.H. | 登録日 | 2022-06-28 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov). J.Med.Chem., 66, 2023
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8I2N
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8J61
| The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.05065274 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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8J5W
| The crystal structure of TrkA(F589L) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.28041458 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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8J5X
| The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.09192252 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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8J63
| The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.0005 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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8JF3
| C-Src in complex with compound 9 | 分子名称: | 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Proto-oncogene tyrosine-protein kinase Src | 著者 | Zhang, Z.M, Huang, H.S. | 登録日 | 2023-05-17 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.84647632 Å) | 主引用文献 | Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development. Angew.Chem.Int.Ed.Engl., 63, 2024
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8JMZ
| FGFR1 kinase domain with sulfatinib | 分子名称: | Fibroblast growth factor receptor 1, GLYCEROL, N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide, ... | 著者 | Chen, X.J, Lin, Q.M, Chen, Y.H. | 登録日 | 2023-06-05 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.988 Å) | 主引用文献 | Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R. Commun Chem, 7, 2024
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8JOT
| Crystal structure of CSF-1R kinase domain with sulfatinib | 分子名称: | GLYCEROL, Macrophage colony-stimulating factor 1 receptor, N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide | 著者 | Lin, Q.M, Chen, X.J, Chen, Y.H. | 登録日 | 2023-06-08 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R. Commun Chem, 7, 2024
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8OUU
| Crystal structure of D1228V c-MET bound by compound 29 | 分子名称: | 1,2-ETHANEDIOL, 5-(3-ethynyl-5-fluoranyl-1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, FORMIC ACID, ... | 著者 | Collie, G.W. | 登録日 | 2023-04-24 | 公開日 | 2023-07-05 | 最終更新日 | 2023-07-26 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor. J.Med.Chem., 66, 2023
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8OUV
| Crystal structure of D1228V c-MET bound by compound 15 | 分子名称: | 5-(1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, CHLORIDE ION, Hepatocyte growth factor receptor | 著者 | Collie, G.W. | 登録日 | 2023-04-24 | 公開日 | 2023-07-05 | 最終更新日 | 2023-07-26 | 実験手法 | X-RAY DIFFRACTION (1.783 Å) | 主引用文献 | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor. J.Med.Chem., 66, 2023
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8OV7
| Crystal structure of D1228V c-MET bound by compound 10 | 分子名称: | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-[3-(1H-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor | 著者 | Collie, G.W. | 登録日 | 2023-04-25 | 公開日 | 2023-07-05 | 最終更新日 | 2023-07-26 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor. J.Med.Chem., 66, 2023
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8OVZ
| Crystal structure of D1228V c-MET bound by compound 16 | 分子名称: | 1-[(1S)-1-[3-(1H-imidazol-4-yl)phenyl]ethyl]-5-(1H-indazol-7-yl)pyrimidine-2,4-dione, Hepatocyte growth factor receptor, IODIDE ION | 著者 | Collie, G.W. | 登録日 | 2023-04-26 | 公開日 | 2023-07-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.206 Å) | 主引用文献 | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor. J.Med.Chem., 66, 2023
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8OW3
| Crystal structure of wild-type c-MET bound by compound 2 | 分子名称: | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor | 著者 | Collie, G.W. | 登録日 | 2023-04-26 | 公開日 | 2023-07-05 | 最終更新日 | 2023-07-26 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor. J.Med.Chem., 66, 2023
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8OWG
| Crystal structure of D1228V c-MET bound by compound 2 | 分子名称: | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor | 著者 | Collie, G.W. | 登録日 | 2023-04-27 | 公開日 | 2023-07-05 | 最終更新日 | 2023-07-26 | 実験手法 | X-RAY DIFFRACTION (2.631 Å) | 主引用文献 | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor. J.Med.Chem., 66, 2023
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8PYI
| Human IGF1R with inhibitor 6 | 分子名称: | 3-[8-azanyl-1-(4-ethoxy-8-fluoranyl-2-phenyl-quinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methyl-cyclobutan-1-ol, Insulin-like growth factor 1 receptor beta chain | 著者 | Dreyer, M.K, Wang, J, Elkins, J.M. | 登録日 | 2023-07-25 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | 主引用文献 | Human IGF1R with inhibitor 6 To Be Published
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8PYJ
| Human IGF1R with inhibitor 8 | 分子名称: | 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione, CADMIUM ION, Insulin-like growth factor 1 receptor beta chain, ... | 著者 | Dreyer, M.K, Wang, J, Elkins, J.M. | 登録日 | 2023-07-25 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.702 Å) | 主引用文献 | Human IGF1R with inhibitor 8 To Be Published
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8PYN
| Human IGF1R with inhibitor 56 | 分子名称: | 5,5-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione, CADMIUM ION, Insulin-like growth factor 1 receptor beta chain, ... | 著者 | Dreyer, M.K, Wang, J, Elkins, J.M. | 登録日 | 2023-07-25 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Human IGF1R with inhibitor 56 To Be Published
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8PYM
| Human IGF1R with inhibitor 54 | 分子名称: | 5,5-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione, CADMIUM ION, Insulin-like growth factor 1 receptor beta chain, ... | 著者 | Dreyer, M.K, Wang, J, Elkins, J.M. | 登録日 | 2023-07-25 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.652 Å) | 主引用文献 | Human IGF1R with inhibitor 54 To Be Published
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8PYL
| Human IGF1R with inhibitor 53 | 分子名称: | (5S)-5-methyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione, CADMIUM ION, Insulin-like growth factor 1 receptor beta chain, ... | 著者 | Dreyer, M.K, Wang, J, Elkins, J.M. | 登録日 | 2023-07-25 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Human IGF1R with inhibitor 53 To Be Published
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8PYK
| Human IGF1R with inhibitor 47 | 分子名称: | 5,5-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione, Insulin-like growth factor 1 receptor beta chain, NICKEL (II) ION | 著者 | Dreyer, M.K, Wang, J, Elkins, J.M. | 登録日 | 2023-07-25 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Human IGF1R with inhibitor 47 To Be Published
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8OUT
| CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 22 | 分子名称: | (1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol, Mitogen-activated protein kinase kinase kinase 12 | 著者 | Zebisch, M, Akkermans, O, Barker, J.J, Cross, J.B. | 登録日 | 2023-04-24 | 公開日 | 2023-07-26 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.935 Å) | 主引用文献 | Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy. J.Med.Chem., 66, 2023
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