Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-4-OH-phenyldiketoacid
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Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-4-OH-phenyldiketoacid Descriptor: (2Z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G Authors: Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) Deposit date: 2018-01-19 Release date: 2018-09-05 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids. J Chem Inf Model, 58, 2018
结核分枝杆菌(Mycobacterium tuberculosis)苹果酸合酶(malate synthase)与2-溴-4-羟基苯基二酮酸(2-Br-4-OH-phenyldiketoacid)结合的晶体复合物,其组成描述为:(2Z)-4-(2-溴-4-羟基苯基)-2-羟基-4-氧代丁-2-烯酸、镁离子(MAGNESIUM ION)与苹果酸合酶G(Malate synthase G)。
作者:Krieger, I.V.、Sacchettini, J.C.、结核分枝杆菌结构基因组学联盟(TB Structural Genomics Consortium, TBSGC)
提交日期:2018-01-19
发布日期:2018-09-05
最后修改日期:2023-10-04
实验方法:X射线衍射(X-RAY DIFFRACTION),分辨率2.3埃
引用文献:《计算机辅助药物设计中的阴离子-π相互作用:苯基二酮酸类化合物对苹果酸合酶抑制作用的建模》,《化学信息与建模杂志》,58卷,2018年
创建时间:
2018-01-19



