6GDM

Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2

Summary for 6GDM

• Entry DOI: 10.2210/pdb6gdm/pdb
• Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, DIMETHYL SULFOXIDE, ... (5 entities in total)
• Functional Keywords: erk2 kinase inhibitor, signaling protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 43638.21

Authors

O'Reilly, M. (deposition date: 2018-04-24, 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; PubMed: 29775310; DOI: 10.1021/acs.jmedchem.8b00421

Experimental method

X-RAY DIFFRACTION (1.91 Å)