title: Structure of AKR1C3 with 3-phenoxybenzoic acid bound.
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.
authors.affiliation: School of Biological Sciences, University of Auckland, Private Bag 92019, Victoria St. West, Auckland, New Zealand.
authors.forename: Victoria J
authors.initials: VJ
authors.lastname: Jackson
authors.forename: Yuliana
authors.initials: Y
authors.lastname: Yosaatmadja
authors.forename: Jack U
authors.initials: JU
authors.lastname: Flanagan
authors.forename: Christopher J
authors.initials: CJ
authors.lastname: Squire
mesh_terms: D015096:3-Hydroxysteroid Dehydrogenases / Q000737:chemistry* / Q000378:metabolism; D000074425:Aldo-Keto Reductase Family 1 Member C3; D001565:Benzoates / Q000737:chemistry* / Q000378:metabolism; D020134:Catalytic Domain; D004791:Enzyme Inhibitors / Q000737:chemistry* / Q000378:metabolism; D006801:Humans; D006911:Hydroxyprostaglandin Dehydrogenases / Q000737:chemistry* / Q000378:metabolism; D008024:Ligands; D008958:Models, Molecular; D011485:Protein Binding; D054730:Protein Interaction Domains and Motifs
chemical_list: D001565:Benzoates; D004791:Enzyme Inhibitors; D008024:Ligands; C017618:3-phenoxybenzoic acid; D015096:3-Hydroxysteroid Dehydrogenases; D006911:Hydroxyprostaglandin Dehydrogenases; C487341:AKR1C3 protein, human; D000074425:Aldo-Keto Reductase Family 1 Member C3