6P68
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6PL1
| TRK-A IN COMPLEX WITH LIGAND 1B | 分子名称: | High affinity nerve growth factor receptor, N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea | 著者 | Subramanian, G. | 登録日 | 2019-06-30 | 公開日 | 2019-10-09 | 最終更新日 | 2019-10-30 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Lead identification and characterization of hTrkA type 2 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
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6PMB
| TRK-A IN COMPLEX WITH LIGAND 1a | 分子名称: | 2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide, High affinity nerve growth factor receptor | 著者 | Subramanian, G, Brown, D.G. | 登録日 | 2019-07-01 | 公開日 | 2020-02-26 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA). Rsc Med Chem, 11, 2020
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6P1D
| Crystal structure of EGFR with mutant-selective dihydrodibenzodiazepinone allosteric inhibitor | 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, Eck, M.J. | 登録日 | 2019-05-19 | 公開日 | 2019-12-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6P3D
| The co-crystal structure of BRAF(V600E) with ponatinib | 分子名称: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, AMMONIUM ION, ... | 著者 | Agianian, B, Gavathiotis, E. | 登録日 | 2019-05-23 | 公開日 | 2020-09-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Inhibitors of BRAF dimers using an allosteric site. Nat Commun, 11, 2020
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6P8Q
| EGFR in complex with a dihydrodibenzodiazepinone allosteric inhibitor. | 分子名称: | 1,2-ETHANEDIOL, 10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, ADENOSINE MONOPHOSPHATE, ... | 著者 | Yun, C.H, Heppner, D.E, Eck, M.J. | 登録日 | 2019-06-07 | 公開日 | 2019-12-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6PL2
| TRK-A IN COMPLEX WITH LIGAND 1a | 分子名称: | High affinity nerve growth factor receptor, N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-2-{[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide | 著者 | Subramanian, G. | 登録日 | 2019-06-30 | 公開日 | 2019-09-04 | 最終更新日 | 2019-09-25 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Type 2 inhibitor leads of human tropomyosin receptor kinase (hTrkA). Bioorg.Med.Chem.Lett., 29, 2019
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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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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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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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6PL4
| TRK-A IN COMPLEX WITH LIGAND 1 | 分子名称: | High affinity nerve growth factor receptor, N-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-N'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea | 著者 | Subramanian, G, Brown, D.G. | 登録日 | 2019-06-30 | 公開日 | 2020-07-01 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | In Pursuit of an Allosteric Human Tropomyosin Kinase A (hTrkA) Inhibitor for Chronic Pain Acs Med.Chem.Lett., 2021
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6PME
| TRK-A IN COMPLEX WITH LIGAND | 分子名称: | High affinity nerve growth factor receptor, N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide, S,R MESO-TARTARIC ACID, ... | 著者 | Subramanian, G, Brown, D.G. | 登録日 | 2019-07-01 | 公開日 | 2020-02-26 | 最終更新日 | 2021-02-03 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA). Rsc Med Chem, 11, 2020
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6PDJ
| Tyrosine-protein kinase LCK bound to Compound 11 | 分子名称: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide, NICKEL (II) ION, ... | 著者 | Critton, D.A. | 登録日 | 2019-06-19 | 公開日 | 2019-10-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Discovery of Pyridazinone and Pyrazolo[1,5-a]pyridine Inhibitors of C-Terminal Src Kinase. Acs Med.Chem.Lett., 10, 2019
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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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6PL3
| TRK-A IN COMPLEX WITH LIGAND 2a | 分子名称: | 2-[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(1H-tetrazol-1-yl)benzoate, High affinity nerve growth factor receptor | 著者 | Subramanian, G. | 登録日 | 2019-06-30 | 公開日 | 2019-09-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Type 2 inhibitor leads of human tropomyosin receptor kinase (hTrkA). Bioorg.Med.Chem.Lett., 29, 2019
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6PNX
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6PMC
| TRK-A IN COMPLEX WITH LIGAND 1a | 分子名称: | High affinity nerve growth factor receptor, N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide | 著者 | Subramanian, G, Brown, D.G. | 登録日 | 2019-07-01 | 公開日 | 2020-02-26 | 最終更新日 | 2021-02-03 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA). Rsc Med Chem, 11, 2020
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8PQC
| c-KIT kinase domain in complex with avapritinib derivative 9 | 分子名称: | (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, Mast/stem cell growth factor receptor Kit | 著者 | Teuber, A, Kleinboelting, S.B, Mueller, M.P, Rauh, D. | 登録日 | 2023-07-11 | 公開日 | 2023-12-27 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQH
| PDGFRA T674I mutant kinase domain in complex with avapritinib | 分子名称: | (1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, DI(HYDROXYETHYL)ETHER, Platelet-derived growth factor receptor alpha | 著者 | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | 登録日 | 2023-07-11 | 公開日 | 2023-12-27 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQD
| c-KIT kinase domain in complex with avapritinib derivative 10 | 分子名称: | Mast/stem cell growth factor receptor Kit, ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]ethanamide | 著者 | Teuber, A, Mueller, M.P, Rauh, D. | 登録日 | 2023-07-11 | 公開日 | 2023-12-27 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQ9
| c-KIT kinase domain in complex with avapritinib | 分子名称: | (1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, Mast/stem cell growth factor receptor Kit, SULFATE ION | 著者 | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | 登録日 | 2023-07-11 | 公開日 | 2023-12-27 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQA
| c-KIT kinase domain in complex with avapritinib derivative 4 | 分子名称: | 6-(1-methylpyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine, Mast/stem cell growth factor receptor Kit | 著者 | Teuber, A, Mueller, M.P, Rauh, D. | 登録日 | 2023-07-11 | 公開日 | 2023-12-27 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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