7BE4

Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR159

Summary for 7BE4

Entry DOI	10.2210/pdb7be4/pdb
Descriptor	Mitogen-activated protein kinase 14, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide (3 entities in total)
Functional Keywords	mapk14, kinase inhibitor, structure-guided design, structural genomics consortium, sgc, transferase
Biological source	Mus musculus (Mouse)
Total number of polymer chains	1
Total formula weight	42059.04
Authors	Joerger, A.C.,Schroeder, M.,Roehm, S.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2020-12-22, release date: 2021-03-03, Last modification date: 2024-01-31)
Primary citation	Rohm, S.,Berger, B.T.,Schroder, M.,Chatterjee, D.,Mathea, S.,Joerger, A.C.,Pinkas, D.M.,Bufton, J.C.,Tjaden, A.,Kovooru, L.,Kudolo, M.,Pohl, C.,Bullock, A.N.,Muller, S.,Laufer, S.,Knapp, S. Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe. J.Med.Chem., 64:13451-13474, 2021 Cited by PubMed: 34506142 DOI: 10.1021/acs.jmedchem.1c00868 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation