3RWQ

Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1)

Summary for 3RWQ

• Entry DOI: 10.2210/pdb3rwq/pdb
• Related: 3RWP 3SC1
• Descriptor: 3-phosphoinositide-dependent protein kinase 1, [4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[2-(pyridin-3-yl)ethyl]amino}pyrazin-2-yl)methanone, GLYCEROL, ... (5 entities in total)
• Functional Keywords: kinase domain, transferase, phosphoserine: sep, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: O15530
• Total number of polymer chains: 1
• Total formula weight: 36906.91

Authors

Kazmirski, S.,Kohls, D. (deposition date: 2011-05-09, release date: 2011-11-16, Last modification date: 2011-12-28)

• Primary citation: Murphy, S.T.,Alton, G.,Bailey, S.,Baxi, S.M.,Burke, B.J.,Chappie, T.A.,Ermolieff, J.,Ferre, R.,Greasley, S.,Hickey, M.,Humphrey, J.,Kablaoui, N.,Kath, J.,Kazmirski, S.,Kraus, M.,Kupchinsky, S.,Li, J.,Lingardo, L.,Marx, M.A.,Richter, D.,Tanis, S.P.,Tran, K.,Vernier, W.,Xie, Z.,Yin, M.J.,Yu, X.H.; Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).; J.Med.Chem., 54:8490-8500, 2011; PubMed: 22040023; DOI: 10.1021/jm201019k

Experimental method

X-RAY DIFFRACTION (2.55 Å)