Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP

Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine), Bifunctional dihydrofolate reductase-thymidylate synthase, ... Authors: Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y. Deposit date: 2018-06-12 Release date: 2019-04-24 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance. ACS Med Chem Lett, 9, 2018

四重突变体（N51I+C59R+S108N+I164L）恶性疟原虫（Plasmodium falciparum）二氢叶酸还原酶-胸苷酸合成酶（dihydrofolate reductase-thymidylate synthase，DHFR-TS）与BT3、烟酰胺腺嘌呤二核苷酸磷酸（nicotinamide adenine dinucleotide phosphate，NADPH）及2'-脱氧尿苷5'-单磷酸（2'-DEOXYURIDINE 5'-MONOPHOSPHATE）形成复合物的晶体结构。描述项：2'-脱氧尿苷5'-单磷酸（2'-DEOXYURIDINE 5'-MONOPHOSPHATE）、5,5'-[丙烷-1,3-二基双(氧基-4,1-亚苯基)]双(6-乙基嘧啶-2,4-二胺)、双功能二氢叶酸还原酶-胸苷酸合成酶（Bifunctional dihydrofolate reductase-thymidylate synthase）……。作者：Chitnumsub P、Jaruwat A、Tarnchampoo B、Yuthavong Y。提交日期：2018年6月12日；发布日期：2019年4月24日；最后修改日期：2023年11月22日。检测方法：X射线衍射（分辨率2.6 Å）。引用文献：《具有双重结合模式可延缓抗药性的疟疾二氢叶酸还原酶杂交抑制剂》（Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance），刊载于《ACS药物化学快报》（ACS Med Chem Lett），2018年，第9卷。