4EWQ
Human p38 alpha MAPK in complex with a pyridazine based inhibitor
Summary for 4EWQ
Entry DOI | 10.2210/pdb4ewq/pdb |
Descriptor | Mitogen-activated protein kinase 14, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine, ... (10 entities in total) |
Functional Keywords | serine/threonine-protein kinase, structural genomics, center for structural genomics of infectious diseases, csgid, protein kinase domain, transferase, atp binding, phosphorylation, cytosol, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 45502.31 |
Authors | Grum-Tokars, V.,Minasov, G.,Roy, S.,Schavocky, J.,Winsor, J.,Watterson, D.M.,Anderson, W.F.,Center for Structural Genomics of Infectious Diseases (CSGID) (deposition date: 2012-04-27, release date: 2012-06-27, Last modification date: 2023-09-13) |
Primary citation | Roy, S.M.,Minasov, G.,Arancio, O.,Chico, L.W.,Van Eldik, L.J.,Anderson, W.F.,Pelletier, J.C.,Watterson, D.M. A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction. J.Med.Chem., 62:5298-5311, 2019 Cited by PubMed: 30978288DOI: 10.1021/acs.jmedchem.9b00058 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.1 Å) |
Structure validation
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