3ROC

Crystal structure of human p38 alpha complexed with a pyrimidinone compound

Summary for 3ROC

Entry DOI	10.2210/pdb3roc/pdb
Descriptor	Mitogen-activated protein kinase 14, 3-{5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6H)-yl}-N-(2-hydroxyethyl)-4-methylbenzamide, 4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, ... (4 entities in total)
Functional Keywords	transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm (By similarity): Q16539
Total number of polymer chains	1
Total formula weight	42032.28
Authors	Shieh, H.-S.,Xing, L. (deposition date: 2011-04-25, release date: 2011-06-15, Last modification date: 2024-02-28)
Primary citation	Devadas, B.,Selness, S.R.,Xing, L.,Madsen, H.M.,Marrufo, L.D.,Shieh, H.,Messing, D.M.,Yang, J.Z.,Morgan, H.M.,Anderson, G.D.,Webb, E.G.,Zhang, J.,Devraj, R.V.,Monahan, J.B. Substituted N-aryl-6-pyrimidinones: A new class of potent, selective, and orally active p38 MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 21:3856-3860, 2011 Cited by PubMed: 21620699 DOI: 10.1016/j.bmcl.2011.05.006 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation