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6SDE
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BU of 6sde by Molmil
Crystal structure of wild-type cMET bound by savolitinib
分子名称: Hepatocyte growth factor receptor, volitinib
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 (2.49 Å)
主引用文献Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
8AN8
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BU of 8an8 by Molmil
Crystal structure of wild-type c-MET bound by compound 7.
分子名称: 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, Hepatocyte growth factor receptor, SULFATE ION
著者Collie, G.W.
登録日2022-08-04
公開日2022-08-31
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Discovery of a selective c-MET inhibitor with a novel binding mode.
Bioorg.Med.Chem.Lett., 75, 2022
8ANS
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BU of 8ans by Molmil
Crystal structure of D1228V c-MET bound by compound 1.
分子名称: 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, GLYCEROL, Hepatocyte growth factor receptor
著者Collie, G.W.
登録日2022-08-05
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of a selective c-MET inhibitor with a novel binding mode.
Bioorg.Med.Chem.Lett., 75, 2022
7B42
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BU of 7b42 by Molmil
Crystal structure of c-MET bound by compound 8
分子名称: 3-[(3-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 (1.8 Å)
主引用文献Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
7B3Q
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BU of 7b3q by Molmil
Crystal structure of c-MET bound by compound 1
分子名称: 1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one, Hepatocyte growth factor receptor, SULFATE ION
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 (1.75 Å)
主引用文献Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
7B40
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BU of 7b40 by Molmil
Crystal structure of c-MET bound by compound 6
分子名称: 3-(phenylmethyl)-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2020-12-01
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
7B3W
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BU of 7b3w by Molmil
Crystal structure of c-MET bound by compound 4
分子名称: 1,2-ETHANEDIOL, 3-(6-fluoranyl-1~{H}-indazol-4-yl)-4,5-dihydro-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 (2.02 Å)
主引用文献Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
7B43
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BU of 7b43 by Molmil
Crystal structure of c-MET bound by compound 9
分子名称: 3-[(4-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 (1.87 Å)
主引用文献Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
7B3Z
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BU of 7b3z by Molmil
Crystal structure of c-MET bound by compound 5
分子名称: 3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, DIMETHYL SULFOXIDE, 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 (1.8 Å)
主引用文献Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
4E67
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BU of 4e67 by Molmil
The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with hydrocinnamoyl-derivatized PLHSpTA peptide
分子名称: Serine/threonine-protein kinase PLK1, hydrocinnamoyl-derivatized PLHSpTA peptide
著者Sledz, P, Hyvonen, M, Tan, Y.S, Lang, S, Spring, D, Abell, C, Best, R.B.
登録日2012-03-15
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Using ligand-mapping simulations to design a ligand selectively targeting a cryptic surface pocket of polo-like kinase 1.
Angew.Chem.Int.Ed.Engl., 51, 2012
5CLP
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BU of 5clp by Molmil
Crystal Structure of CK2alpha with 3,4-dichlorophenethylamine bound
分子名称: 2-(3,4-dichlorophenyl)ethanamine, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-16
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.684 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CSV
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BU of 5csv by Molmil
Crystal Structure of CK2alpha with Compound 6 bound
分子名称: 3-AMINOBENZOIC ACID, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-23
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.375 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CU4
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BU of 5cu4 by Molmil
Crystal structure of CK2alpha bound to CAM4066
分子名称: ACETATE ION, Casein kinase II subunit alpha, N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-24
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CVG
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BU of 5cvg by Molmil
Crystal Structure of CK2alpha with a novel closed conformation of the aD loop
分子名称: ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-26
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CSP
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BU of 5csp by Molmil
Crystal Structure of CK2alpha with Compound 5 bound
分子名称: 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-23
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CS6
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BU of 5cs6 by Molmil
Crystal Structure of CK2alpha with Compound 3 bound
分子名称: 1-(3-chloro-4-propoxyphenyl)methanamine, ACETATE ION, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-23
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CU6
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BU of 5cu6 by Molmil
Crystal Structure of CK2alpha
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-24
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
8RPO
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BU of 8rpo by Molmil
BFL1 in complex with a reversible covalent ligand
分子名称: (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide, Bcl-2-related protein A1
著者Hargreaves, D.
登録日2024-01-16
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.791 Å)
主引用文献Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen.
Acs Med.Chem.Lett., 15, 2024
5CVH
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BU of 5cvh by Molmil
Crystal Structure of CK2alpha
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-26
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CU3
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BU of 5cu3 by Molmil
Crystal structure of CK2alpha bound to CAM4066
分子名称: ACETATE ION, Casein kinase II subunit alpha, DIMETHYL SULFOXIDE, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-24
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.787 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CSH
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BU of 5csh by Molmil
Crystal Structure of CK2alpha with Compound 4 bound
分子名称: 1-(2-chlorobiphenyl-4-yl)methanamine, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-23
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CVF
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BU of 5cvf by Molmil
Crystal Structure of CK2alpha with Compound 5 bound
分子名称: 1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-26
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
3P35
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BU of 3p35 by Molmil
Polo-like kinase I Polo-box domain in complex with MQSpSPL phosphopeptide
分子名称: GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide
著者Sledz, P, 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 (2.09 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
3P37
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BU of 3p37 by Molmil
Polo-like kinase I Polo-box domain in complex with FDPPLHSpTA phosphopeptide from PBIP1
分子名称: GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide
著者Sledz, P, 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 (2.38 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
3Q1I
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BU of 3q1i by Molmil
Polo-like kinase I Polo-box domain in complex with FMPPPMSpSM phosphopeptide from TCERG1
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
著者Sledz, P, Hyvonen, M, Abell, C.
登録日2010-12-17
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 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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