6G8X
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Summary for 6G8X
Entry DOI | 10.2210/pdb6g8x/pdb |
Descriptor | Mitogen-activated protein kinase 1, SULFATE ION, 4-chloranyl-1~{H}-indazol-3-amine, ... (4 entities in total) |
Functional Keywords | erk2 kinase inhibitor, signaling protein |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 43079.24 |
Authors | O'Reilly, M. (deposition date: 2018-04-10, release date: 2018-05-30, Last modification date: 2018-06-27) |
Primary citation | Heightman, T.D.,Berdini, V.,Braithwaite, H.,Buck, I.M.,Cassidy, M.,Castro, J.,Courtin, A.,Day, J.E.H.,East, C.,Fazal, L.,Graham, B.,Griffiths-Jones, C.M.,Lyons, J.F.,Martins, V.,Muench, S.,Munck, J.M.,Norton, D.,O'Reilly, M.,Palmer, N.,Pathuri, P.,Reader, M.,Rees, D.C.,Rich, S.J.,Richardson, C.,Saini, H.,Thompson, N.T.,Wallis, N.G.,Walton, H.,Wilsher, N.E.,Woolford, A.J.,Cooke, M.,Cousin, D.,Onions, S.,Shannon, J.,Watts, J.,Murray, C.W. Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61:4978-4992, 2018 Cited by PubMed: 29775310DOI: 10.1021/acs.jmedchem.8b00421 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.76 Å) |
Structure validation
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