3UWE

AKR1C3 complexed with 3-phenoxybenzoic acid

Summary for 3UWE

Entry DOI	10.2210/pdb3uwe/pdb
Descriptor	Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-phenoxybenzoic acid, ... (5 entities in total)
Functional Keywords	tim barrel, oxidoreductase
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: P42330
Total number of polymer chains	1
Total formula weight	39199.26
Authors	Jackson, V.J.,Yosaatmadja, Y.,Flanagan, J.U.,Squire, C.J. (deposition date: 2011-12-01, release date: 2012-04-04, Last modification date: 2023-11-08)
Primary citation	Jackson, V.J.,Yosaatmadja, Y.,Flanagan, J.U.,Squire, C.J. Structure of AKR1C3 with 3-phenoxybenzoic acid bound Acta Crystallogr.,Sect.F, 68:409-413, 2012 Cited by PubMed 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. PubMed: 22505408 DOI: 10.1107/S1744309112009049 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.68 Å)

Structure validation