4L8M

Human p38 MAP kinase in complex with a Dibenzoxepinone

Summary for 4L8M

Entry DOI	10.2210/pdb4l8m/pdb
Related	3QUD 3QUE
Descriptor	Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside, N-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide, ... (4 entities in total)
Functional Keywords	protein kinase, selective p38 inhibitor, sar, dibenzoxepinone derivative, dibenzoxepinone, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	42421.40
Authors	Richters, A.,Mayer-Wrangowski, S.C.,Gruetter, C.,Rauh, D. (deposition date: 2013-06-17, release date: 2013-10-30, Last modification date: 2023-09-20)
Primary citation	Baur, B.,Storch, K.,Martz, K.E.,Goettert, M.I.,Richters, A.,Rauh, D.,Laufer, S.A. Metabolically Stable Dibenzo[b,e]oxepin-11(6H)-ones as Highly Selective p38 MAP Kinase Inhibitors: Optimizing Anti-Cytokine Activity in Human Whole Blood. J.Med.Chem., 56:8561-8578, 2013 Cited by PubMed: 24131218 DOI: 10.1021/jm401276h PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation