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PDBsum entry 2c1a
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Transferase/inhibitor
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PDB id
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2c1a
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References listed in PDB file
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Key reference
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Title
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Structure-Based design of isoquinoline-5-Sulfonamide inhibitors of protein kinase b.
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Authors
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I.Collins,
J.Caldwell,
T.Fonseca,
A.Donald,
V.Bavetsias,
L.J.Hunter,
M.D.Garrett,
M.G.Rowlands,
G.W.Aherne,
T.G.Davies,
V.Berdini,
S.J.Woodhead,
D.Davis,
L.C.Seavers,
P.G.Wyatt,
P.Workman,
E.Mcdonald.
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Ref.
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Bioorg Med Chem Lett, 2006,
14,
1255-1273.
[DOI no: ]
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PubMed id
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Abstract
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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.
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