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3cqu
From Proteopedia
Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor
Overview
Based on a high throughput screening hit, pyrrolopyrimidine inhibitors of the Akt kinase are explored. X-ray co-crystal structures of two lead series results in the understanding of key binding interactions, the design of new lead series, and enhanced potency. The syntheses of these series and their biological activities are described. Spiroindoline 13j is found to have an Akt1 kinase IC(50) of 2.4+/-0.6nM, Akt cell potency of 50+/-19nM, and provides 68% inhibition of tumor growth in a mouse xenograft model (50mg/kg, qd, po).
About this Structure
3CQU is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Synthesis and structure based optimization of novel Akt inhibitors., Lippa B, Pan G, Corbett M, Li C, Kauffman GS, Pandit J, Robinson S, Wei L, Kozina E, Marr ES, Borzillo G, Knauth E, Barbacci-Tobin EG, Vincent P, Troutman M, Baker D, Rajamohan F, Kakar S, Clark T, Morris J, Bioorg Med Chem Lett. 2008 Apr 15;. PMID:18456494 Page seeded by OCA on Wed May 28 09:22:49 2008
Categories: Homo sapiens | Non-specific serine/threonine protein kinase | Protein complex | Pandit, J. | Alternative splicing | Apoptosis | Atp-binding | Carbohydrate metabolism | Cytoplasm | Glucose metabolism | Glycogen biosynthesis | Glycogen metabolism | Kinase | Membrane | Nucleotide-binding | Nucleus | Phosphoprotein | Serine/threonine-protein kinase | Sugar transport | Transferase | Translation regulation | Transport | Wnt signaling pathway
