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: 31702918DOI: 10.1021/acs.jmedchem.9b01227 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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