Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid

Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid Descriptor: 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M. Deposit date: 2012-01-16 Release date: 2012-03-28 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.528 Å) Cite: Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer. Bioorg.Med.Chem.Lett., 22, 2012

人类17β-羟类固醇脱氢酶5型（17beta-hydroxysteroid dehydrogenase type 5，AKR1C3）与烟酰胺腺嘌呤二核苷酸磷酸（NADP+）和3-[(4-(三氟甲基)苯基)氨基]苯甲酸形成复合物的晶体结构。相关信息：配体为3-{[4-(三氟甲基)苯基]氨基}苯甲酸，涉及醛酮还原酶家族1成员C3（Aldo-keto reductase family 1 member C3）与烟酰胺腺嘌呤二核苷酸磷酸（NADP）。作者：Chen, M、Christianson, D.W、Winkler, J.D、Penning, T.M。沉积日期：2012年1月16日；发布日期：2012年3月28日；最后修改日期：2023年9月13日。实验方法：X射线衍射（分辨率2.528埃）。引用文献：AKR1C3包含N-（芳基）氨基苯甲酸酯抑制剂与双功能AKR1C3抑制剂及雄激素受体拮抗剂的晶体结构：针对去势抵抗性前列腺癌的治疗先导化合物，发表于《Bioorg.Med.Chem.Lett.》，22卷，2012年。