2c1b
From Proteopedia
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STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE
Overview
Structure-based drug design of novel isoquinoline-5-sulfonamide inhibitors of PKB as potential antitumour agents was investigated. Constrained pyrrolidine analogues that mimicked the bound conformation of linear prototypes were identified and investigated by co-crystal structure determinations with the related protein PKA. Detailed variation in the binding modes between inhibitors with similar overall conformations was observed. Potent PKB inhibitors from this series inhibited GSK3beta phosphorylation in cellular assays, consistent with inhibition of PKB kinase activity in cells.
About this Structure
2C1B is a Protein complex structure of sequences from Bos taurus and Homo sapiens with as ligand. Active as Transferred entry: 2.7.11.1, with EC number 2.7.1.37 Known structural/functional Site: . Full crystallographic information is available from OCA.
Reference
Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B., Collins I, Caldwell J, Fonseca T, Donald A, Bavetsias V, Hunter LJ, Garrett MD, Rowlands MG, Aherne GW, Davies TG, Berdini V, Woodhead SJ, Davis D, Seavers LC, Wyatt PG, Workman P, McDonald E, Bioorg Med Chem. 2006 Feb 15;14(4):1255-73. Epub 2005 Oct 24. PMID:16249095
Page seeded by OCA on Thu Feb 21 16:43:48 2008
Categories: Bos taurus | Homo sapiens | Protein complex | Transferred entry: 2 7.11 1 | Aherne, G W. | Bavetsias, V. | Berdini, V. | Caldwell, J. | Collins, I. | Davies, T G. | Donald, A. | Fonseca, T. | Garrett, M D. | Hunter, L J. | Mcdonald, E. | Rowlands, M G. | Seavers, L C.A. | Woodhead, S. | Workman, P. | Wyatt, P G. | CQP | Atp-binding | Camp | Complex (transferase/inhibitor) | Phosphorylation | Protein kinase inhibitor | Serine/threonine-protein kinase | Transferase
