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PDBsum entry 4jii
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Oxidoreductase/oxidoreductase inhibitor
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PDB id
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4jii
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References listed in PDB file
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Key reference
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Title
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Inhibitor selectivity between aldo-Keto reductase superfamily members akr1b10 and akr1b1: role of trp112 (trp111).
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Authors
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L.Zhang,
H.Zhang,
Y.Zhao,
Z.Li,
S.Chen,
J.Zhai,
Y.Chen,
W.Xie,
Z.Wang,
Q.Li,
X.Zheng,
X.Hu.
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Ref.
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Febs Lett, 2013,
587,
3681-3686.
[DOI no: ]
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PubMed id
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Abstract
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The antineoplastic target aldo-keto reductase family member 1B10 (AKR1B10) and
the critical polyol pathway enzyme aldose reductase (AKR1B1) share high
structural similarity. Crystal structures reported here reveal a surprising
Trp112 native conformation stabilized by a specific Gln114-centered hydrogen
bond network in the AKR1B10 holoenzyme, and suggest that AKR1B1 inhibitors could
retain their binding affinities toward AKR1B10 by inducing Trp112 flip to result
in an "AKR1B1-like" active site in AKR1B10, while selective AKR1B10
inhibitors can take advantage of the broader active site of AKR1B10 provided by
the native Trp112 side-chain orientation.
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