Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with(1R,4R,5R)-1,4,5-trihydroxy-3-((1S)-1-hydroxy-2-phenyl) ethylcyclohex-2-en-1-carboxylic acid

Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with(1R,4R,5R)-1,4,5-trihydroxy-3-((1S)-1-hydroxy-2-phenyl) ethylcyclohex-2-en-1-carboxylic acid Descriptor: (1R,4R,5R)-1,4,5-trihydroxy-3-[(1S)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION Authors: Otero, J.M, Llamas-Saiz, A.L, Lamb, H, Hawkins, A.R, Blanco, B, Sedes, A, Peon, A, Gonzalez-Bello, C, van Raaij, M.J. Deposit date: 2013-12-17 Release date: 2014-04-16 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors. J. Med. Chem., 57, 2014

结核分枝杆菌(Mycobacterium tuberculosis)2型脱氢奎尼酸酶与(1R,4R,5R)-1,4,5-三羟基-3-[(1S)-1-羟基-2-苯基]乙基环己-2-烯-1-羧酸形成复合物的晶体结构。描述符：(1R,4R,5R)-1,4,5-三羟基-3-[(1S)-1-羟基-2-苯基]乙基环己-2-烯-1-羧酸、3-脱氢奎尼酸脱水酶(3-dehydroquinate dehydratase)、硫酸根离子。作者：Otero, J.M.、Llamas-Saiz, A.L.、Lamb, H.、Hawkins, A.R.、Blanco, B.、Sedes, A.、Peon, A.、Gonzalez-Bello, C.、van Raaij, M.J.。沉积日期：2013-12-17。发布日期：2014-04-16。最后修改日期：2023-12-20。实验方法：X射线衍射（分辨率2.9 Å）。引用文献：《探索II型脱氢奎尼酸酶的水结合口袋以开展抑制剂的基于结构设计》，《药物化学杂志》，57卷，2014年。