2c1b
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STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE
OverviewOverview
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 StructureAbout this Structure
2C1B is a [Protein complex] structure of sequences from [Bos taurus] and [Homo sapiens] with CQP as [ligand]. Active as [[1]], with EC number [2.7.1.37]. Full crystallographic information is available from [OCA].
ReferenceReference
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
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- Bos taurus
- Homo sapiens
- Protein complex
- 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