4ZTH

Structure of human p38aMAPK-arylpyridazinylpyridine fragment complex used in inhibitor discovery

Summary for 4ZTH

Entry DOI	10.2210/pdb4zth/pdb
Descriptor	Mitogen-activated protein kinase 14, 6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ... (5 entities in total)
Functional Keywords	transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	44541.00
Authors	Grum-Tokars, V.L.,Roy, S.M.,Watterson, D.M. (deposition date: 2015-05-14, release date: 2016-06-22, Last modification date: 2024-03-06)
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: 30978288 DOI: 10.1021/acs.jmedchem.9b00058 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.15 Å)

Structure validation