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2uw9
From Proteopedia
STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH 4-(4-CHLORO-PHENYL)-4-(4-(1H-PYRAZOL-4-YL)-PHENYL)-PIPERIDINE
Overview
Using fragment-based screening techniques, 5-methyl-4-phenyl-1H-pyrazole (IC50 80 microM) was identified as a novel, low molecular weight inhibitor of protein kinase B (PKB). Herein we describe the rapid elaboration of highly potent and ligand efficient analogues using a fragment growing approach. Iterative structure-based design was supported by protein-ligand structure determinations using a PKA-PKB "chimera" and a final protein-ligand structure of a lead compound in PKBbeta itself.
About this Structure
2UW9 is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Identification of inhibitors of protein kinase B using fragment-based lead discovery., Saxty G, Woodhead SJ, Berdini V, Davies TG, Verdonk ML, Wyatt PG, Boyle RG, Barford D, Downham R, Garrett MD, Carr RA, J Med Chem. 2007 May 17;50(10):2293-6. Epub 2007 Apr 24. PMID:17451234 Page seeded by OCA on Wed Apr 30 13:33:23 2008
Categories: Homo sapiens | Non-specific serine/threonine protein kinase | Protein complex | Barford, D. | Berdini, V. | Boyle, R G. | Carr, R A. | Davies, T G. | Downham, R. | Garrett, M D. | Saxty, G. | Verdonk, M L. | Woodhead, S J. | Wyatt, P G. | Alternative splicing | Atp-binding | Kinase | Nucleotide-binding | Phosphorylation | Serine/threonine-protein kinase | Transferase | Transferase/inhibitor complex | Wnt signaling pathway
