2XH5

Structure of 4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4- yl)piperidin-4-amine bound to PKB

Replaces:  2X37

Summary for 2XH5

• Entry DOI: 10.2210/pdb2xh5/pdb
• Related: 1GNG 1GZK 1GZN 1GZO 1H8F 1I09 1J1B 1J1C 1MRV 1MRY 1O6K 1O6L 1O9U 1P6S 1PYX 1Q3D 1Q3W 1Q41 1Q4L 1Q5K 1R0E 1UV5 2JDO 2JDR 2JLD 2UW9 2X39
• Descriptor: RAC-BETA SERINE/THREONINE-PROTEIN KINASE, GLYCOGEN SYNTHASE KINASE-3 BETA, 4-(4-tert-butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, ... (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: 41348.11

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: 2010-06-09, release date: 2010-06-16, Last modification date: 2011-07-13)

• 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 (2.72 Å)