5NQC
 
 | | CK2alpha in complex with NMR154 | | Descriptor: | (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Seetoh, W.-G, Stubbs, C.J. | | Deposit date: | 2017-04-19 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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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3P2Z
 | | Polo-like kinase I Polo-box domain in complex with PLHSpTA phosphopeptide from PBIP1 | | Descriptor: | GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide | | Authors: | Sledz, P, Stubbs, C.J, Hyvonen, M, Abell, C. | | Deposit date: | 2010-10-04 | | Release date: | 2011-04-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | 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
 | | Polo-like kinase I Polo-box domain in complex with DPPLHSpTA phosphopeptide from PBIP1 | | Descriptor: | GLYCEROL, PHOSPHATE ION, Serine/threonine-protein kinase PLK1, ... | | Authors: | Sledz, P, Stubbs, C.J, Hyvonen, M, Abell, C. | | Deposit date: | 2010-10-04 | | Release date: | 2011-04-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | 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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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 | | Descriptor: | 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide, GLYCEROL, Serine/threonine-protein kinase PLK1 | | Authors: | Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C. | | Deposit date: | 2012-03-21 | | Release date: | 2012-10-10 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | High-throughput interrogation of ligand binding mode using a fluorescence-based assay.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4E9C
 | | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with LDPPLHSpTA phosphopeptide | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, LDPPLHSpTA phosphopeptide, ... | | Authors: | Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C. | | Deposit date: | 2012-03-21 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High-throughput interrogation of ligand binding mode using a fluorescence-based assay.
Angew. Chem. Int. Ed. Engl., 51, 2012
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5CSH
 | | Crystal Structure of CK2alpha with Compound 4 bound | | Descriptor: | 1-(2-chlorobiphenyl-4-yl)methanamine, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-23 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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5CVF
 | | Crystal Structure of CK2alpha with Compound 5 bound | | Descriptor: | 1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-26 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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5CVH
 | | Crystal Structure of CK2alpha | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-26 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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6SD9
 | | Crystal structure of wild-type cMET bound by foretinib | | Descriptor: | 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 | | Authors: | Collie, G.W, Phillips, C. | | Deposit date: | 2019-07-26 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6SDC
 | | Crystal structure of D1228V cMET bound by foretinib | | Descriptor: | 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 | | Authors: | Collie, G.W, Phillips, C. | | Deposit date: | 2019-07-26 | | Release date: | 2019-08-14 | | Last modified: | 2019-10-02 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6SDD
 | | Crystal structure of D1228V cMET bound by BMS-777607 | | Descriptor: | 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 | | Authors: | Collie, G.W, Phillips, C. | | Deposit date: | 2019-07-26 | | Release date: | 2019-08-14 | | Last modified: | 2019-10-02 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6SDE
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8AN8
 | | Crystal structure of wild-type c-MET bound by compound 7. | | Descriptor: | 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 | | Authors: | Collie, G.W. | | Deposit date: | 2022-08-04 | | Release date: | 2022-08-31 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.394 Å) | | Cite: | Discovery of a selective c-MET inhibitor with a novel binding mode.
Bioorg.Med.Chem.Lett., 75, 2022
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8ANS
 | | Crystal structure of D1228V c-MET bound by compound 1. | | Descriptor: | 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 | | Authors: | Collie, G.W. | | Deposit date: | 2022-08-05 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Discovery of a selective c-MET inhibitor with a novel binding mode.
Bioorg.Med.Chem.Lett., 75, 2022
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5CLP
 | | Crystal Structure of CK2alpha with 3,4-dichlorophenethylamine bound | | Descriptor: | 2-(3,4-dichlorophenyl)ethanamine, ACETATE ION, Casein kinase II subunit alpha | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-16 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.684 Å) | | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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5CSV
 | | Crystal Structure of CK2alpha with Compound 6 bound | | Descriptor: | 3-AMINOBENZOIC ACID, ACETATE ION, Casein kinase II subunit alpha | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-23 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.375 Å) | | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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5CU4
 | | Crystal structure of CK2alpha bound to CAM4066 | | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-24 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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5CVG
 | | Crystal Structure of CK2alpha with a novel closed conformation of the aD loop | | Descriptor: | ACETATE ION, Casein kinase II subunit alpha | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-26 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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5CSP
 | | Crystal Structure of CK2alpha with Compound 5 bound | | Descriptor: | 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-23 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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5CS6
 | | Crystal Structure of CK2alpha with Compound 3 bound | | Descriptor: | 1-(3-chloro-4-propoxyphenyl)methanamine, ACETATE ION, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-23 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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5CU6
 | | Crystal Structure of CK2alpha | | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-24 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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5CU3
 | | Crystal structure of CK2alpha bound to CAM4066 | | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, DIMETHYL SULFOXIDE, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-24 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.787 Å) | | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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8OWG
 | | Crystal structure of D1228V c-MET bound by compound 2 | | Descriptor: | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2023-04-27 | | Release date: | 2023-07-05 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (2.631 Å) | | Cite: | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
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8OUU
 | | Crystal structure of D1228V c-MET bound by compound 29 | | Descriptor: | 1,2-ETHANEDIOL, 5-(3-ethynyl-5-fluoranyl-1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, FORMIC ACID, ... | | Authors: | Collie, G.W. | | Deposit date: | 2023-04-24 | | Release date: | 2023-07-05 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
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8OUV
 | | Crystal structure of D1228V c-MET bound by compound 15 | | Descriptor: | 5-(1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, CHLORIDE ION, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2023-04-24 | | Release date: | 2023-07-05 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (1.783 Å) | | Cite: | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
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