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PDBsum entry 2uw4
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References listed in PDB file
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Key reference
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Title
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Identification of inhibitors of protein kinase b using fragment-Based lead discovery.
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Authors
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G.Saxty,
S.J.Woodhead,
V.Berdini,
T.G.Davies,
M.L.Verdonk,
P.G.Wyatt,
R.G.Boyle,
D.Barford,
R.Downham,
M.D.Garrett,
R.A.Carr.
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Ref.
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J Med Chem, 2007,
50,
2293-2296.
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PubMed id
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Note In the PDB file this reference is
annotated as "TO BE PUBLISHED".
The citation details given above were identified by an automated
search of PubMed on title and author
names, giving a
perfect match.
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Abstract
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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.
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