Crystal structure of M. smegmatis DprE1 in complex with FAD and covalently bound BTZ043

Crystal structure of M. smegmatis DprE1 in complex with FAD and covalently bound BTZ043 Descriptor: 8-(hydroxyamino)-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one, DprE1, FLAVIN-ADENINE DINUCLEOTIDE, ... Authors: Neres, J, Pojer, F, Molteni, E, Chiarelli, L, Riccardi, G, Mattevi, A, Cole, S.T, Binda, C. Deposit date: 2012-05-11 Release date: 2012-09-05 Last modified: 2024-11-27 Method: X-RAY DIFFRACTION (2.619 Å) Cite: Structural Basis for Benzothiazinone-Mediated Killing of Mycobacterium tuberculosis. Sci Transl Med, 4, 2012

耻垢分枝杆菌（Mycobacterium smegmatis, M. smegmatis）DprE1与黄素腺嘌呤二核苷酸（FLAVIN-ADENINE DINUCLEOTIDE, FAD）以及共价结合配体BTZ043形成复合物的晶体结构，描述项包括：8-(羟基氨基)-2-[(2S)-2-甲基-1,4-二氧杂-8-氮杂螺[4.5]癸-8-基]-6-(三氟甲基)-4H-1,3-苯并噻嗪-4-酮、DprE1、黄素腺嘌呤二核苷酸（FLAVIN-ADENINE DINUCLEOTIDE）等；作者为Neres J、Pojer F、Molteni E、Chiarelli L、Riccardi G、Mattevi A、Cole ST、Binda C；存档日期2012-05-11，发布日期2012-09-05，最后修改日期2024-11-27；实验方法为X射线衍射（分辨率2.619埃）；引用文献为《苯并噻嗪酮介导结核分枝杆菌杀伤的结构基础》，发表于《科学·转化医学》（Sci Transl Med）2012年第4卷。