8PO0
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![BU of 8po0 by Molmil](/molmil-images/mine/8po0) | |
8PO3
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![BU of 8po3 by Molmil](/molmil-images/mine/8po3) | |
8PO1
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![BU of 8po1 by Molmil](/molmil-images/mine/8po1) | |
8PO4
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![BU of 8po4 by Molmil](/molmil-images/mine/8po4) | |
8PNZ
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![BU of 8pnz by Molmil](/molmil-images/mine/8pnz) | |
8QQG
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![BU of 8qqg by Molmil](/molmil-images/mine/8qqg) | Structure of BRAF in Complex With Exarafenib (KIN-2787). | 分子名称: | (3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf | 著者 | Schmitt, A, Costanzi, E, Kania, R, Chen, Y.K. | 登録日 | 2023-10-04 | 公開日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.979 Å) | 主引用文献 | Structure of BRAF in Complex With Exarafenib (KIN-2787). To Be Published
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8PYI
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![BU of 8pyi by Molmil](/molmil-images/mine/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
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![BU of 8pyj by Molmil](/molmil-images/mine/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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8PYK
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![BU of 8pyk by Molmil](/molmil-images/mine/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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8PYN
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![BU of 8pyn by Molmil](/molmil-images/mine/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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8PYL
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![BU of 8pyl by Molmil](/molmil-images/mine/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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8PYM
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![BU of 8pym by Molmil](/molmil-images/mine/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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8QQY
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![BU of 8qqy by Molmil](/molmil-images/mine/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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8PQE
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![BU of 8pqe by Molmil](/molmil-images/mine/8pqe) | c-KIT kinase domain in complex with avapritinib derivative 11 | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | 著者 | Teuber, A, Niggenaber, J, 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 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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8PQJ
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8PQC
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![BU of 8pqc by Molmil](/molmil-images/mine/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
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![BU of 8pqh by Molmil](/molmil-images/mine/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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8PQI
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![BU of 8pqi by Molmil](/molmil-images/mine/8pqi) | PDGFRA T674I mutant 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, 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 (2.6 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
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![BU of 8pq9 by Molmil](/molmil-images/mine/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
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![BU of 8pqa by Molmil](/molmil-images/mine/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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8PQF
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![BU of 8pqf by Molmil](/molmil-images/mine/8pqf) | c-KIT kinase domain in complex with avapritinib derivative 12 | 分子名称: | Mast/stem cell growth factor receptor Kit, methyl ~{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]carbamate | 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 (1.9 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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8PQG
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![BU of 8pqg by Molmil](/molmil-images/mine/8pqg) | c-KIT T670I mutated 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 | 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 (2.4 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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8PQB
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![BU of 8pqb by Molmil](/molmil-images/mine/8pqb) | c-KIT kinase domain in complex with avapritinib derivative 8 | 分子名称: | (1~{S})-1-(4-fluorophenyl)-~{N},~{N}-dimethyl-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, Niggenaber, J, 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 (1.87 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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8PQK
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![BU of 8pqk by Molmil](/molmil-images/mine/8pqk) | |
8PQD
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![BU of 8pqd by Molmil](/molmil-images/mine/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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