Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-1,4,5-trihydroxy-3-((5-methylbenzo(b) thiophen-2-yl)methoxy)cyclohex-2-enecarboxylate

Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-1,4,5-trihydroxy-3-((5-methylbenzo(b) thiophen-2-yl)methoxy)cyclohex-2-enecarboxylate Descriptor: (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SODIUM ION, ... Authors: Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J. Deposit date: 2011-01-28 Release date: 2011-08-17 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors. J. Med. Chem., 54, 2011

结核分枝杆菌II型脱氢奎尼酸酶与(1R,4S,5R)-1,4,5-三羟基-3-((5-甲基苯并[b]噻吩-2-基)甲氧基)环己-2-烯羧酸形成的复合物的结构。配体描述：(1R,4S,5R)-1,4,5-三羟基-3-[(5-甲基-1-苯并噻吩-2-基)甲氧基]环己-2-烯-1-羧酸、3-脱氢奎尼酸脱水酶（3-dehydroquinate dehydratase）、钠离子等。作者：Otero, J.M.、Llamas-Saiz, A.L.、Fox, G.C.、Tizon, L.、Prazeres, V.F.V.、Lamb, H.、Hawkins, A.R.、Ainsa, J.A.、Castedo, L.、Gonzalez-Bello, C.、van Raaij, M.J.。沉积日期：2011年1月28日；发布日期：2011年8月17日；最后修改日期：2023年12月20日。实验方法：X射线衍射（分辨率1.5埃）。引用文献：《改善强效结核分枝杆菌II型脱氢奎尼酸酶抑制剂抗结核活性的前药策略》，《药物化学杂志》，第54卷，2011年。