Abstract
Aldo-keto reductase 1C3 (AKR1C3) is a human enzyme that catalyzes the NADPH-dependent reduction of steroids and prostaglandins. AKR1C3 overexpression is associated with the proliferation of hormone-dependent cancers, most notably breast and prostate cancers. Nonsteroidal anti-inflammatory drugs (NSAIDs) and their analogues are well characterized inhibitors of AKR1C3. Here, the X-ray crystal structure of 3-phenoxybenzoic acid in complex with AKR1C3 is presented. This structure provides useful information for the future development of new anticancer agents by structure-guided drug design.
© 2012 International Union of Crystallography. All rights reserved.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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3-Hydroxysteroid Dehydrogenases / chemistry*
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3-Hydroxysteroid Dehydrogenases / metabolism
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Aldo-Keto Reductase Family 1 Member C3
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Benzoates / chemistry*
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Benzoates / metabolism
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Catalytic Domain
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Enzyme Inhibitors / chemistry*
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Enzyme Inhibitors / metabolism
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Humans
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Hydroxyprostaglandin Dehydrogenases / chemistry*
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Hydroxyprostaglandin Dehydrogenases / metabolism
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Ligands
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Models, Molecular
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Protein Binding
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Protein Interaction Domains and Motifs*
Substances
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Benzoates
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Enzyme Inhibitors
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Ligands
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3-phenoxybenzoic acid
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3-Hydroxysteroid Dehydrogenases
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Hydroxyprostaglandin Dehydrogenases
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AKR1C3 protein, human
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Aldo-Keto Reductase Family 1 Member C3