Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead

Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead Descriptor: 1,2-ETHANEDIOL, 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... Authors: Finzel, B.C, Dai, R. Deposit date: 2015-01-08 Release date: 2016-01-20 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis. J. Med. Chem., 60, 2017

结核分枝杆菌（Mycobacterium tuberculosis）来源的7,8-二氨基壬酸合酶（BioA）的晶体结构，该酶与从高通量筛选（High Throughput Screening, HTS）先导物优化得到的抑制剂结合。复合物组分包括：1,2-乙二醇、5-[4-(3-氯苯甲酰基)哌嗪-1-基]-1H-茚-1-酮、腺苷甲硫氨酸-8-氨基-7-氧代壬酸转氨酶等。作者：Finzel, B.C.、Dai, R.；沉积日期：2015-01-08；发布日期：2016-01-20；最后修改日期：2023-09-27；实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.5 Å；引用文献：《靶向结核分枝杆菌生物素生物合成的吡哆醛5'-磷酸依赖性转氨酶（BioA）抑制剂的基于结构优化》，《药物化学杂志》（J. Med. Chem.），第60卷，2017年。