5K5N

Crystal structure of GSK-3beta complexed with PF-04802367, a highly selective brain-penetrant kinase inhibitor

Summary for 5K5N

• Entry DOI: 10.2210/pdb5k5n/pdb
• Descriptor: Glycogen synthase kinase-3 beta, 5-(3-chloranyl-4-methoxy-phenyl)-~{N}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide, SULFATE ION, ... (4 entities in total)
• Functional Keywords: protein kinase, alzhimer's disease, tau kinase, transferase
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: P49841
• Total number of polymer chains: 2
• Total formula weight: 85170.04

Authors

Kurumbail, R.G.,Chang, J.S. (deposition date: 2016-05-23, release date: 2016-09-21)

• Primary citation: Liang, S.H.,Chen, J.M.,Normandin, M.D.,Chang, J.S.,Chang, G.C.,Taylor, C.K.,Trapa, P.,Plummer, M.S.,Para, K.S.,Conn, E.L.,Lopresti-Morrow, L.,Lanyon, L.F.,Cook, J.M.,Richter, K.E.,Nolan, C.E.,Schachter, J.B.,Janat, F.,Che, Y.,Shanmugasundaram, V.,Lefker, B.A.,Enerson, B.E.,Livni, E.,Wang, L.,Guehl, N.J.,Patnaik, D.,Wagner, F.F.,Perlis, R.,Holson, E.B.,Haggarty, S.J.,El Fakhri, G.,Kurumbail, R.G.,Vasdev, N.; Discovery of a Highly Selective Glycogen Synthase Kinase-3 Inhibitor (PF-04802367) That Modulates Tau Phosphorylation in the Brain: Translation for PET Neuroimaging.; Angew.Chem.Int.Ed.Engl., 55:9601-9605, 2016; PubMed: 27355874; DOI: 10.1002/anie.201603797

Experimental method

X-RAY DIFFRACTION (2.2 Å)