3HP2

Crystal Structure of Human p38alpha complexed with a pyridinone compound

Summary for 3HP2

• Entry DOI: 10.2210/pdb3hp2/pdb
• Related: 3HLL 3HP5
• Descriptor: Mitogen-activated protein kinase 14, 1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, ... (4 entities in total)
• Functional Keywords: two lobes, two ligands, two binding sites, atp site and distal site, peptide flip, atp-binding, kinase, nucleotide-binding, nucleus, phosphoprotein, serine/threonine-protein kinase, transferase
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm : Q16539
• Total number of polymer chains: 1
• Total formula weight: 42227.91

Authors

Shieh, H.-S.,Williams, J.M.,Stegeman, R.A.,Kurumbail, R.G. (deposition date: 2009-06-03, release date: 2009-09-29, Last modification date: 2024-02-21)

• Primary citation: Selness, S.R.,Devraj, R.V.,Monahan, J.B.,Boehm, T.L.,Walker, J.K.,Devadas, B.,Durley, R.C.,Kurumbail, R.,Shieh, H.,Xing, L.,Hepperle, M.,Rucker, P.V.,Jerome, K.D.,Benson, A.G.,Marrufo, L.D.,Madsen, H.M.,Hitchcock, J.,Owen, T.J.,Christie, L.,Promo, M.A.,Hickory, B.S.,Alvira, E.,Naing, W.,Blevis-Bal, R.; Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase.; Bioorg.Med.Chem.Lett., 19:5851-5856, 2009; PubMed: 19751974; DOI: 10.1016/j.bmcl.2009.08.082

Experimental method

X-RAY DIFFRACTION (2.15 Å)