6CZ3
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![BU of 6cz3 by Molmil](/molmil-images/mine/6cz3) | Structure of the PTK6 kinase domain bound to a type I inhibitor (3-fluoro-4-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone | 分子名称: | (3-fluoro-4-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone, ACETATE ION, POTASSIUM ION, ... | 著者 | Gajiwala, K.S, Johnson, E, Cronin, C.N. | 登録日 | 2018-04-07 | 公開日 | 2018-06-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Small molecule inhibitors reveal PTK6 kinase is not an oncogenic driver in breast cancers. PLoS ONE, 13, 2018
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6CZ2
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6CPY
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![BU of 6cpy by Molmil](/molmil-images/mine/6cpy) | Structure of apo GRMZM2G135359 pseudokinase | 分子名称: | GRMZM2G135359 pseudokinase | 著者 | Aquino, B, Counago, R.M, Godoi, P.H.C, Massirer, K.B, Elkins, J.M, Arruda, P, Structural Genomics Consortium (SGC) | 登録日 | 2018-03-14 | 公開日 | 2018-04-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure of apo GRMZM2G135359 pseudokinase To be Published
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6CDT
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6CAD
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![BU of 6cad by Molmil](/molmil-images/mine/6cad) | Crystal structure of RAF kinase domain bound to the inhibitor 2a | 分子名称: | 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Serine/threonine-protein kinase B-raf | 著者 | Maisonneuve, P, Kurinov, I, Assadieskandar, A, Yu, C, Liu, X, Chen, Y.-C, Prakash, G.K.S, Zhang, C, SIcheri, F. | 登録日 | 2018-01-30 | 公開日 | 2018-02-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Effects of rigidity on the selectivity of protein kinase inhibitors. Eur J Med Chem, 146, 2018
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6C7Y
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![BU of 6c7y by Molmil](/molmil-images/mine/6c7y) | Crystal structure of inhibitory protein SOCS1 in complex with JAK1 kinase domain | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Liau, N.P.D, Laktyushin, A, Lucet, I.S, Murphy, J.M, Yao, S, Callaghan, K, Nicola, N.A, Kershaw, N.J, Babon, J.J. | 登録日 | 2018-01-23 | 公開日 | 2018-05-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.499 Å) | 主引用文献 | The molecular basis of JAK/STAT inhibition by SOCS1. Nat Commun, 9, 2018
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6C4D
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![BU of 6c4d by Molmil](/molmil-images/mine/6c4d) | Structure based design of RIP1 kinase inhibitors | 分子名称: | (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1 | 著者 | Saikatendu, K.S, Yoshikawa, M. | 登録日 | 2018-01-11 | 公開日 | 2018-03-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships. J. Med. Chem., 61, 2018
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6C3E
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![BU of 6c3e by Molmil](/molmil-images/mine/6c3e) | CRYSTAL STRUCTURE OF RIP1 KINASE BOUND TO INHIBITOR | 分子名称: | 2-benzyl-5-nitro-1H-benzimidazole, Receptor-interacting serine/threonine-protein kinase 1 | 著者 | Saikatendu, K.S, Yoshikawa, M. | 登録日 | 2018-01-09 | 公開日 | 2018-03-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships. J. Med. Chem., 61, 2018
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6C1O
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![BU of 6c1o by Molmil](/molmil-images/mine/6c1o) | FGFR1 kinase domain complexed with FIIN-1 | 分子名称: | Fibroblast growth factor receptor 1, N-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)prop-2-enamide, SULFATE ION | 著者 | Kalyukina, M, Yosaatmadja, Y, Smaill, J.B, Squire, C.J. | 登録日 | 2018-01-05 | 公開日 | 2019-01-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | A new class of FGFR1 inhibitors To Be Published
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6C1C
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![BU of 6c1c by Molmil](/molmil-images/mine/6c1c) | FGFR1 kinase complex with inhibitor SN37116 | 分子名称: | 7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1, SULFATE ION | 著者 | Yosaatmadja, Y, Smaill, J.B, Squire, C.J. | 登録日 | 2018-01-04 | 公開日 | 2019-01-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Understanding the structural requirements for covalent inhibition of FGFR1-3 To Be Published
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6C1B
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![BU of 6c1b by Molmil](/molmil-images/mine/6c1b) | FGFR1 kinase complex with inhibitor SN37118 | 分子名称: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1 | 著者 | Yosaatmadja, Y, Smaill, J.B, Squire, C.J. | 登録日 | 2018-01-04 | 公開日 | 2019-01-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Understanding the structural requirements for covalent inhibition of FGFR1-3 To Be Published
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6C19
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![BU of 6c19 by Molmil](/molmil-images/mine/6c19) | FGFR1 kinase complex with inhibitor SN36985 | 分子名称: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1, SULFATE ION | 著者 | Yosaatmadja, Y, Smaill, J.B, Squire, C.J. | 登録日 | 2018-01-04 | 公開日 | 2019-01-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Understanding the structural requirements for covalent inhibition of FGFR1-3 To Be Published
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6C18
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![BU of 6c18 by Molmil](/molmil-images/mine/6c18) | FGFR1 kinase complex with inhibitor SN37115 | 分子名称: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1, SULFATE ION | 著者 | Yosaatmadja, Y, Smaill, J.B, Squire, C.J. | 登録日 | 2018-01-04 | 公開日 | 2019-01-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Understanding the structural requirements for covalent inhibition of FGFR1-3 To Be Published
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6BWK
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6BSS
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6BSD
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![BU of 6bsd by Molmil](/molmil-images/mine/6bsd) | DDR1 bound to Dasatinib | 分子名称: | Epithelial discoidin domain-containing receptor 1, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | 著者 | Georghiou, G, Seeliger, M.A. | 登録日 | 2017-12-02 | 公開日 | 2018-12-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.606 Å) | 主引用文献 | What Makes a Kinase Promiscuous for Inhibitors? Cell Chem Biol, 26, 2019
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6BS0
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6BRW
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![BU of 6brw by Molmil](/molmil-images/mine/6brw) | JAK2 JH2 in complex with XMU-MP-1 | 分子名称: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, ACETATE ION, GLYCEROL, ... | 著者 | Puleo, D.E, Schlessinger, J. | 登録日 | 2017-12-01 | 公開日 | 2018-08-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.031 Å) | 主引用文献 | JAK2 JH2 Binders To Be Published
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6BRJ
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![BU of 6brj by Molmil](/molmil-images/mine/6brj) | DDR1 bound to VX-680 | 分子名称: | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, Epithelial discoidin domain-containing receptor 1 | 著者 | Georghiou, G, Seeliger, M.A. | 登録日 | 2017-11-30 | 公開日 | 2018-12-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.231 Å) | 主引用文献 | What Makes a Kinase Promiscuous for Inhibitors? Cell Chem Biol, 26, 2019
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6BLN
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![BU of 6bln by Molmil](/molmil-images/mine/6bln) | BTK complex with compound 13 | 分子名称: | GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ... | 著者 | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | 登録日 | 2017-11-10 | 公開日 | 2018-11-07 | 最終更新日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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6BL8
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6BKW
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![BU of 6bkw by Molmil](/molmil-images/mine/6bkw) | BTK complex with compound 12 | 分子名称: | GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ... | 著者 | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | 登録日 | 2017-11-09 | 公開日 | 2018-11-07 | 最終更新日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (1.499 Å) | 主引用文献 | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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6BKH
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![BU of 6bkh by Molmil](/molmil-images/mine/6bkh) | BTK complex with compound 11 | 分子名称: | N-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | 著者 | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | 登録日 | 2017-11-08 | 公開日 | 2018-11-07 | 最終更新日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (1.792 Å) | 主引用文献 | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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6BKE
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![BU of 6bke by Molmil](/molmil-images/mine/6bke) | BTK complex with compound 10 | 分子名称: | N-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | 著者 | Kiefer, J.R, Eigenbrot, C, Yu, C.L, Wang, G.X. | 登録日 | 2017-11-08 | 公開日 | 2018-11-07 | 最終更新日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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6BIK
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![BU of 6bik by Molmil](/molmil-images/mine/6bik) | BTK complex with compound 7 | 分子名称: | 4-tert-butyl-N-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide, GLYCEROL, SULFATE ION, ... | 著者 | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | 登録日 | 2017-11-02 | 公開日 | 2018-11-07 | 最終更新日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | 主引用文献 | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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