5NQC
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![BU of 5nqc by Molmil](/molmil-images/mine/5nqc) | CK2alpha in complex with NMR154 | 分子名称: | (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one, CHLORIDE ION, Casein kinase II subunit alpha | 著者 | Seetoh, W.-G, Stubbs, C.J. | 登録日 | 2017-04-19 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Disrupting the CK2alpha-CK2beta protein-protein interaction within the protein kinase CK2 heterotetramer using a fragment-based approach To Be Published
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4E9D
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![BU of 4e9d by Molmil](/molmil-images/mine/4e9d) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide | 分子名称: | 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide, GLYCEROL, Serine/threonine-protein kinase PLK1 | 著者 | Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C. | 登録日 | 2012-03-21 | 公開日 | 2012-10-10 | 最終更新日 | 2012-12-12 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | High-throughput interrogation of ligand binding mode using a fluorescence-based assay. Angew.Chem.Int.Ed.Engl., 51, 2012
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4E9C
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![BU of 4e9c by Molmil](/molmil-images/mine/4e9c) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with LDPPLHSpTA phosphopeptide | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, LDPPLHSpTA phosphopeptide, ... | 著者 | Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C. | 登録日 | 2012-03-21 | 公開日 | 2012-10-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | High-throughput interrogation of ligand binding mode using a fluorescence-based assay. Angew. Chem. Int. Ed. Engl., 51, 2012
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3P2Z
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![BU of 3p2z by Molmil](/molmil-images/mine/3p2z) | Polo-like kinase I Polo-box domain in complex with PLHSpTA phosphopeptide from PBIP1 | 分子名称: | GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide | 著者 | Sledz, P, Stubbs, C.J, Hyvonen, M, Abell, C. | 登録日 | 2010-10-04 | 公開日 | 2011-04-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1 Angew.Chem.Int.Ed.Engl., 50, 2011
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3P36
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![BU of 3p36 by Molmil](/molmil-images/mine/3p36) | Polo-like kinase I Polo-box domain in complex with DPPLHSpTA phosphopeptide from PBIP1 | 分子名称: | GLYCEROL, PHOSPHATE ION, Serine/threonine-protein kinase PLK1, ... | 著者 | Sledz, P, Stubbs, C.J, Hyvonen, M, Abell, C. | 登録日 | 2010-10-04 | 公開日 | 2011-04-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1 Angew.Chem.Int.Ed.Engl., 50, 2011
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9F9M
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![BU of 9f9m by Molmil](/molmil-images/mine/9f9m) | Crystal structure of MUS81-EME1 bound by compound 21. | 分子名称: | 5-oxidanyl-4-oxidanylidene-1-(4-piperazin-1-ylphenyl)pyridine-3-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | 著者 | Collie, G.W. | 登録日 | 2024-05-08 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (2.469 Å) | 主引用文献 | Fragment-Based Discovery of Novel MUS81 Inhibitors. Acs Med.Chem.Lett., 15, 2024
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7B3V
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![BU of 7b3v by Molmil](/molmil-images/mine/7b3v) | Crystal structure of c-MET bound by compound 3 | 分子名称: | 3-(3-methyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, Hepatocyte growth factor receptor | 著者 | Collie, G.W. | 登録日 | 2020-12-01 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET. Acs Med.Chem.Lett., 12, 2021
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7B44
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![BU of 7b44 by Molmil](/molmil-images/mine/7b44) | Crystal structure of c-MET bound by compound S1 | 分子名称: | 5-methoxy-1~{H}-indazole, DIMETHYL SULFOXIDE, Hepatocyte growth factor receptor, ... | 著者 | Collie, G.W. | 登録日 | 2020-12-02 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET. Acs Med.Chem.Lett., 12, 2021
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7B3T
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![BU of 7b3t by Molmil](/molmil-images/mine/7b3t) | Crystal structure of c-MET bound by compound 2 | 分子名称: | 3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridine, CHLORIDE ION, Hepatocyte growth factor receptor, ... | 著者 | Collie, G.W. | 登録日 | 2020-12-01 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET. Acs Med.Chem.Lett., 12, 2021
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7B41
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![BU of 7b41 by Molmil](/molmil-images/mine/7b41) | Crystal structure of c-MET bound by compound 7 | 分子名称: | 3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor | 著者 | Collie, G.W. | 登録日 | 2020-12-02 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET. Acs Med.Chem.Lett., 12, 2021
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8OWG
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![BU of 8owg by Molmil](/molmil-images/mine/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 | 2024-06-19 | 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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8OUU
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![BU of 8ouu by Molmil](/molmil-images/mine/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 | 2024-06-19 | 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
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![BU of 8ouv by Molmil](/molmil-images/mine/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 | 2024-06-19 | 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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8OVZ
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![BU of 8ovz by Molmil](/molmil-images/mine/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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8OV7
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![BU of 8ov7 by Molmil](/molmil-images/mine/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 | 2024-06-19 | 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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8OW3
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![BU of 8ow3 by Molmil](/molmil-images/mine/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 | 2024-06-19 | 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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8OOG
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![BU of 8oog by Molmil](/molmil-images/mine/8oog) | |
9F9A
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![BU of 9f9a by Molmil](/molmil-images/mine/9f9a) | Crystal structure of MUS81-EME1 bound by compound 12. | 分子名称: | 2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | 著者 | Collie, G.W. | 登録日 | 2024-05-07 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (2.911 Å) | 主引用文献 | Fragment-Based Discovery of Novel MUS81 Inhibitors. Acs Med.Chem.Lett., 15, 2024
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9F9K
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![BU of 9f9k by Molmil](/molmil-images/mine/9f9k) | Crystal structure of MUS81-EME1 bound by compound 15. | 分子名称: | 5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | 著者 | Collie, G.W. | 登録日 | 2024-05-07 | 公開日 | 2024-07-03 | 最終更新日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (2.728 Å) | 主引用文献 | Fragment-Based Discovery of Novel MUS81 Inhibitors. Acs Med.Chem.Lett., 15, 2024
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9F99
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![BU of 9f99 by Molmil](/molmil-images/mine/9f99) | Crystal structure of MUS81-EME1 bound by compound 10. | 分子名称: | 2-(4-chlorophenyl)-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | 著者 | Collie, G.W. | 登録日 | 2024-05-07 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (2.803 Å) | 主引用文献 | Fragment-Based Discovery of Novel MUS81 Inhibitors. Acs Med.Chem.Lett., 15, 2024
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9F9L
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![BU of 9f9l by Molmil](/molmil-images/mine/9f9l) | Crystal structure of MUS81-EME1 bound by compound 16. | 分子名称: | 2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | 著者 | Collie, G.W. | 登録日 | 2024-05-07 | 公開日 | 2024-07-03 | 最終更新日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Fragment-Based Discovery of Novel MUS81 Inhibitors. Acs Med.Chem.Lett., 15, 2024
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9F98
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![BU of 9f98 by Molmil](/molmil-images/mine/9f98) | Crystal structure of MUS81-EME1, apo form. | 分子名称: | Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81 | 著者 | Collie, G.W. | 登録日 | 2024-05-07 | 公開日 | 2024-07-03 | 最終更新日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Fragment-Based Discovery of Novel MUS81 Inhibitors. Acs Med.Chem.Lett., 15, 2024
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6SD9
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![BU of 6sd9 by Molmil](/molmil-images/mine/6sd9) | Crystal structure of wild-type cMET bound by foretinib | 分子名称: | CHLORIDE ION, Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | 著者 | Collie, G.W, Phillips, C. | 登録日 | 2019-07-26 | 公開日 | 2019-08-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6SDC
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![BU of 6sdc by Molmil](/molmil-images/mine/6sdc) | Crystal structure of D1228V cMET bound by foretinib | 分子名称: | Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | 著者 | Collie, G.W, Phillips, C. | 登録日 | 2019-07-26 | 公開日 | 2019-08-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6SDD
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![BU of 6sdd by Molmil](/molmil-images/mine/6sdd) | Crystal structure of D1228V cMET bound by BMS-777607 | 分子名称: | GLYCEROL, Hepatocyte growth factor receptor, N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide | 著者 | Collie, G.W, Phillips, C. | 登録日 | 2019-07-26 | 公開日 | 2019-08-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors. Acs Med.Chem.Lett., 10, 2019
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