2X39

Structure of 4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin- 4-yl)piperidine-4-carboxamide bound to PKB

Summary for 2X39

• Entry DOI: 10.2210/pdb2x39/pdb
• Related: 1GNG 1H8F 1I09 1J1B 1J1C 1O6K 1O6L 1O9U 1PYX 1Q3D 1Q3W 1Q41 1Q4L 1Q5K 1R0E 1UV5 2JDO 2JDR 2JLD 2UW9 2X37
• Descriptor: RAC-BETA SERINE/THREONINE-PROTEIN KINASE, GLYCOGEN SYNTHASE KINASE-3 BETA, 4-AMINO-N-(4-CHLOROBENZYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE, ... (4 entities in total)
• Functional Keywords: serine/threonine-protein kinase, nucleotide-binding, wnt signaling pathway, kinase, transferase, phosphoprotein
• Biological source: HOMO SAPIENS (HUMAN); More
• Cellular location: Cytoplasm: P49841
• Total number of polymer chains: 2
• Total formula weight: 41368.47

Authors

Davies, T.G.,McHardy, T.,Caldwell, J.J.,Cheung, K.M.,Hunter, L.J.,Taylor, K.,Rowlands, M.,Ruddle, R.,Henley, A.,Brandon, A.D.,Valenti, M.,Fazal, L.,Seavers, L.,Raynaud, F.I.,Eccles, S.A.,Aherne, G.W.,Garrett, M.D.,Collins, I. (deposition date: 2010-01-22, release date: 2010-02-23, Last modification date: 2011-09-21)

• Primary citation: Mchardy, T.,Caldwell, J.J.,Cheung, K.M.,Hunter, L.J.,Taylor, K.,Rowlands, M.,Ruddle, R.,Henley, A.,De Haven Brandon, A.,Valenti, M.,Davies, T.G.,Fazal, L.,Seavers, L.,Raynaud, F.I.,Eccles, S.A.,Aherne, G.W.,Garrett, M.D.,Collins, I.; Discovery of 4-Amino-1-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Piperidine-4-Carboxamides as Selective, Orally Active Inhibitors of Protein Kinase B (Akt).; J.Med.Chem., 53:2239-, 2010; PubMed: 20151677; DOI: 10.1021/JM901788J

Experimental method

X-RAY DIFFRACTION (1.93 Å)