Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM787

Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM787 Descriptor: 3-[2-(3-{[2,4-diamino-6-(4-hydroxybutyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2022-11-21 Release date: 2023-12-13 Last modified: 2024-11-27 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens. J.Med.Chem., 67, 2024源自溃疡分枝杆菌Agy99的二氢叶酸还原酶（Dihydrofolate reductase, DHFR）与烟酰胺腺嘌呤二核苷酸磷酸（NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP）及抑制剂MAM787形成复合物的晶体结构。描述：3-[2-(3-{[2,4-二氨基-6-(4-羟基丁基)嘧啶-5-基]氧基}丙氧基)苯基]丙酸、二氢叶酸还原酶、烟酰胺腺嘌呤二核苷酸磷酸。作者：西雅图传染病结构基因组学中心（Seattle Structural Genomics Center for Infectious Disease, SSGCID）。存放日期：2022年11月21日；发布日期：2023年12月13日；最后修改日期：2024年11月27日。实验方法：X射线衍射（分辨率1.1 Å）。引用文献：《针对脓肿分枝杆菌与鸟分枝杆菌这两种新发人类病原体的活性二氢叶酸还原酶抑制剂2,4-二氨基嘧啶类化合物的理性探索》，《药物化学杂志》（J.Med.Chem.），第67卷，2024年。