3S3I

p38 kinase crystal structure in complex with small molecule inhibitor

Summary for 3S3I

Entry DOI	10.2210/pdb3s3i/pdb
Descriptor	Mitogen-activated protein kinase 14, 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide (3 entities in total)
Functional Keywords	p38 map kinase, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: Q16539
Total number of polymer chains	1
Total formula weight	40383.25
Authors	Segarra, V.,Aiguade, J.,Roca, R.,Fisher, M.,Lamers, M. (deposition date: 2011-05-18, release date: 2012-04-04, Last modification date: 2023-09-13)
Primary citation	Aiguade, J.,Balague, C.,Carranco, I.,Caturla, F.,Dominguez, M.,Eastwood, P.,Esteve, C.,Gonzalez, J.,Lumeras, W.,Orellana, A.,Preciado, S.,Roca, R.,Vidal, L.,Vidal, B. Novel triazolopyridylbenzamides as potent and selective p38 alpha inhibitors. Bioorg.Med.Chem.Lett., 22:3431-3436, 2012 Cited by PubMed: 22521646 DOI: 10.1016/j.bmcl.2012.03.099 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation