6SFK

Crystal structure of p38 alpha in complex with compound 81 (MCP42)

Summary for 6SFK

Entry DOI	10.2210/pdb6sfk/pdb
Descriptor	Mitogen-activated protein kinase 14, 1,2-ETHANEDIOL, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide, ... (4 entities in total)
Functional Keywords	p38a, mapk, mapk14, kinase inhibitor, structural genomics, structural genomics consortium, sgc, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	42199.07
Authors	Chaikuad, A.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2019-08-01, release date: 2019-09-11, Last modification date: 2024-01-24)
Primary citation	Rohm, S.,Berger, B.T.,Schroder, M.,Chaikuad, A.,Winkel, R.,Hekking, K.F.W.,Benningshof, J.J.C.,Muller, G.,Tesch, R.,Kudolo, M.,Forster, M.,Laufer, S.,Knapp, S. Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62:10757-10782, 2019 Cited by PubMed: 31702918 DOI: 10.1021/acs.jmedchem.9b01227 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation