2uw3
STRUCTURE OF PKA-PKB CHIMERA COMPLEXED WITH 5-METHYL-4-PHENYL-1H-PYRAZOLE
OverviewOverview
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 StructureAbout this Structure
2UW3 is a Protein complex structure of sequences from Bos taurus. Full crystallographic information is available from OCA.
ReferenceReference
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 13:32:13 2008
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- Bos taurus
- Protein complex
- CAMP-dependent protein kinase
- 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.
- Atp-binding
- Camp
- Kinase
- Lipoprotein
- Myristate
- Nuclear protein
- Nucleotide-binding
- Phosphorylation
- Protein kinase inhibitor
- Serine/threonine-protein kinase
- Transferase
- Transferase/inhibitor complex