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; PubMed: 30978288; DOI: 10.1021/acs.jmedchem.9b00058

Experimental method

X-RAY DIFFRACTION (2.1 Å)