Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin

Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin Descriptor: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid Authors: Chen, M, Christianson, D.W, Marnett, L.J, Penning, T.M. Deposit date: 2012-01-16 Release date: 2013-03-06 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.802 Å) Cite: Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17 beta-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer. J.Med.Chem., 56, 2013

人类17β-羟类固醇脱氢酶5型（AKR1C3）与烟酰胺腺嘌呤二核苷酸磷酸（nicotinamide adenine dinucleotide phosphate, NADP+）及2'-去甲基吲哚美辛形成的复合物晶体结构。描述符：醛酮还原酶家族1成员C3（Aldo-keto reductase family 1 member C3）、烟酰胺腺嘌呤二核苷酸磷酸、[1-(4-氯苯甲酰基)-5-甲氧基-1H-吲哚-3-基]乙酸。作者：Chen M、Christianson D.W.、Marnett L.J.、Penning T.M.。沉积日期：2012-01-16，发布日期：2013-03-06，最后修改日期：2023-09-13。实验方法：X射线衍射（分辨率1.802 Å）。引用文献：《用于抑制去势抵抗性前列腺癌中AKR1C3（5型17β-羟类固醇脱氢酶/前列腺素F合酶）的强效选择性吲哚美辛类似物的开发》，《药物化学杂志》（J.Med.Chem.），2013年，第56卷。