3BU6
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![BU of 3bu6 by Molmil](/molmil-images/mine/3bu6) | |
6VQM
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![BU of 6vqm by Molmil](/molmil-images/mine/6vqm) | Crystal Structure Analysis of human ACK1 | 分子名称: | 2-({4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl}amino)-9-methyl-5,7-dihydro-6H-pyrimido[5,4-d][1,3]benzodiazepin-6-one, Activated CDC42 kinase 1, SULFATE ION | 著者 | Seo, H.-S, Dhe-Paganon, S. | 登録日 | 2020-02-05 | 公開日 | 2021-02-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | 主引用文献 | Crystal Structure Analysis of human ACK1 To Be Published
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3C7Q
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![BU of 3c7q by Molmil](/molmil-images/mine/3c7q) | Structure of VEGFR2 kinase domain in complex with BIBF1120 | 分子名称: | SULFATE ION, Vascular endothelial growth factor receptor 2, methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate | 著者 | Hilberg, F, Roth, G.J, Krssak, M, Kautschitsch, S, Sommergruber, W, Tontsch-Grunt, U, Garin-Chesa, P, Bader, G, Zoephel, A, Quant, J, Heckel, A, Rettig, W.J. | 登録日 | 2008-02-08 | 公開日 | 2008-12-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res., 68, 2008
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6VNB
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![BU of 6vnb by Molmil](/molmil-images/mine/6vnb) | JAK2 JH1 in complex with BL2-084 | 分子名称: | (3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | 著者 | Davis, R.R, Schonbrunn, E. | 登録日 | 2020-01-29 | 公開日 | 2021-02-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNE
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![BU of 6vne by Molmil](/molmil-images/mine/6vne) | JAK2 JH1 in complex with Fedratinib | 分子名称: | N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide, Tyrosine-protein kinase JAK2 | 著者 | Davis, R.R, Schonbrunn, E. | 登録日 | 2020-01-29 | 公開日 | 2021-02-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNC
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![BU of 6vnc by Molmil](/molmil-images/mine/6vnc) | JAK2 JH1 in complex with BL2-096 | 分子名称: | (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | 著者 | Davis, R.R, Schonbrunn, E. | 登録日 | 2020-01-29 | 公開日 | 2021-02-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNG
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![BU of 6vng by Molmil](/molmil-images/mine/6vng) | JAK2 JH1 in complex with PN2-118 | 分子名称: | N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide, Tyrosine-protein kinase JAK2 | 著者 | Davis, R.R, Schonbrunn, E. | 登録日 | 2020-01-29 | 公開日 | 2021-02-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNH
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![BU of 6vnh by Molmil](/molmil-images/mine/6vnh) | JAK2 JH1 in complex with PN2-123 | 分子名称: | N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide, Tyrosine-protein kinase JAK2 | 著者 | Davis, R.R, Schonbrunn, E. | 登録日 | 2020-01-29 | 公開日 | 2021-02-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNF
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![BU of 6vnf by Molmil](/molmil-images/mine/6vnf) | JAK2 JH1 in complex with MA9-086 | 分子名称: | N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine, Tyrosine-protein kinase JAK2 | 著者 | Davis, R.R, Schonbrunn, E. | 登録日 | 2020-01-29 | 公開日 | 2021-02-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VN8
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![BU of 6vn8 by Molmil](/molmil-images/mine/6vn8) | JAK2 JH1 in complex with baricitinib | 分子名称: | Baricitinib, Tyrosine-protein kinase JAK2 | 著者 | Davis, R.R, Schonbrunn, E. | 登録日 | 2020-01-29 | 公開日 | 2021-02-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNJ
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![BU of 6vnj by Molmil](/molmil-images/mine/6vnj) | JAK2 JH1 in complex with PN4-014 | 分子名称: | 3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | 著者 | Davis, R.R, Schonbrunn, E. | 登録日 | 2020-01-29 | 公開日 | 2021-02-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNM
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![BU of 6vnm by Molmil](/molmil-images/mine/6vnm) | JAK2 JH1 in complex with SY5-103 | 分子名称: | 4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine, Tyrosine-protein kinase JAK2 | 著者 | Davis, R.R, Schonbrunn, E. | 登録日 | 2020-01-29 | 公開日 | 2021-02-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNI
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![BU of 6vni by Molmil](/molmil-images/mine/6vni) | JAK2 JH1 in complex with PN3-115 | 分子名称: | 2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione, Tyrosine-protein kinase JAK2 | 著者 | Davis, R.R, Schonbrunn, E. | 登録日 | 2020-01-29 | 公開日 | 2021-02-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNL
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![BU of 6vnl by Molmil](/molmil-images/mine/6vnl) | JAK2 JH1 in complex with SG3-179 | 分子名称: | 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide, Tyrosine-protein kinase JAK2 | 著者 | Davis, R.R, Schonbrunn, E. | 登録日 | 2020-01-29 | 公開日 | 2021-02-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNK
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![BU of 6vnk by Molmil](/molmil-images/mine/6vnk) | JAK2 JH1 in complex with PN4-073 | 分子名称: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | 著者 | Davis, R.R, Schonbrunn, E. | 登録日 | 2020-01-29 | 公開日 | 2021-02-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VS3
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![BU of 6vs3 by Molmil](/molmil-images/mine/6vs3) | JAK2 JH1 in complex with BL2-057 | 分子名称: | (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | 著者 | Davis, R.R, Schonbrunn, E. | 登録日 | 2020-02-10 | 公開日 | 2021-02-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VSN
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![BU of 6vsn by Molmil](/molmil-images/mine/6vsn) | JAK2 JH1 in complex with BL2-110 | 分子名称: | (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | 著者 | Davis, R.R, Schonbrunn, E. | 登録日 | 2020-02-11 | 公開日 | 2021-02-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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3CE3
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6WA2
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![BU of 6wa2 by Molmil](/molmil-images/mine/6wa2) | Crystal structure of EGFR(T790M/V948R) in complex with LN3753 | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide | 著者 | Heppner, D.E, Eck, M.J. | 登録日 | 2020-03-24 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites. J.Med.Chem., 65, 2022
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3CD8
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![BU of 3cd8 by Molmil](/molmil-images/mine/3cd8) | X-ray Structure of c-Met with triazolopyridazine Inhibitor. | 分子名称: | 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline, Hepatocyte growth factor receptor | 著者 | Bellon, S.F, Albrecht, B.K, Harmange, J.-C, Bauer, D, Choquette, D, Dussault, I. | 登録日 | 2008-02-26 | 公開日 | 2008-04-29 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase. J.Med.Chem., 51, 2008
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6WAK
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![BU of 6wak by Molmil](/molmil-images/mine/6wak) | A crystal structure of EGFR(T790M/V948R) in complex with LN3754 | 分子名称: | Epidermal growth factor receptor, MAGNESIUM ION, N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide, ... | 著者 | Heppner, D.E, Eck, M.J. | 登録日 | 2020-03-25 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites. J.Med.Chem., 65, 2022
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8TJL
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8U2D
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![BU of 8u2d by Molmil](/molmil-images/mine/8u2d) | Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide | 分子名称: | (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Gajewski, S, Clifton, M.C. | 登録日 | 2023-09-05 | 公開日 | 2024-01-31 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies. J.Med.Chem., 67, 2024
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2R2P
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![BU of 2r2p by Molmil](/molmil-images/mine/2r2p) | Kinase domain of human ephrin type-A receptor 5 (EphA5) | 分子名称: | CHLORIDE ION, Ephrin type-A receptor 5, SULFATE ION | 著者 | Walker, J.R, Cuerrier, D, Butler-Cole, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | 登録日 | 2007-08-27 | 公開日 | 2007-09-25 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Kinase Domain of Human Ephrin Type-A Receptor 5 (EphA5). To be Published
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8U1F
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![BU of 8u1f by Molmil](/molmil-images/mine/8u1f) | FGFR2 Kinase Domain Bound to Irreversible Inhibitor Cmpd 10 | 分子名称: | Fibroblast growth factor receptor 2, GLYCEROL, N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide, ... | 著者 | Valverde, R, Foster, L. | 登録日 | 2023-08-31 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (3.33 Å) | 主引用文献 | Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2. Proc.Natl.Acad.Sci.USA, 121, 2024
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