Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a capped pyrazole sulphonamide ligand

Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a capped pyrazole sulphonamide ligand Descriptor: 2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA Authors: Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D. Deposit date: 2014-08-12 Release date: 2014-12-03 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis. J. Med. Chem., 57, 2014

烟曲霉（Aspergillus fumigatus）N-肉豆蔻酰基转移酶与肉豆蔻酰辅酶A（myristoyl CoA）及封端型吡唑磺酰胺配体复合物的晶体结构
描述符：2,6-二氯-N-(二氟甲基)-4-[3-(哌啶-4-基)丙基]-N-(1,3,5-三甲基-1H-吡唑-4-基)苯磺酰胺、甘油肽N-十四烷酰基转移酶、十四烷酰辅酶A
作者：Robinson, D.A、Brand, S、Norcross, N.R、Thompson, S、Harrison, J.R、Smith, V.C、Torrie, L.S、McElroy, S.P、Hallyburton, I、Norval, S、Stojanovski, L、Simeons, F.R.C、Frearson, J.A、Brenk, R、Fairlamb, A.H、Ferguson, M.A.J、Wyatt, P.G、Gilbert, I.H、Read, K.D.
提交日期：2014-08-12
发布日期：2014-12-03
最后修改日期：2024-05-08
实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.7埃（Å）
引用文献：吡唑磺酰胺类布氏锥虫（Trypanosoma brucei）N-肉豆蔻酰基转移酶抑制剂系列的先导化合物优化：鉴定并评估可穿透中枢神经系统（CNS）的化合物作为人类非洲锥虫病第二阶段的潜在治疗药物，《Journal of Medicinal Chemistry》，57卷，2014年