3UWE

AKR1C3 complexed with 3-phenoxybenzoic acid

3UWE の概要

• エントリーDOI: 10.2210/pdb3uwe/pdb
• 分子名称: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-phenoxybenzoic acid, ... (5 entities in total)
• 機能のキーワード: tim barrel, oxidoreductase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P42330
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 39199.26

構造登録者

Jackson, V.J.,Yosaatmadja, Y.,Flanagan, J.U.,Squire, C.J. (登録日: 2011-12-01, 公開日: 2012-04-04, 最終更新日: 2023-11-08)

主引用文献

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

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

実験手法

X-RAY DIFFRACTION (1.68 Å)