Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand

Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand Descriptor: 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA Authors: Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. Deposit date: 2018-05-31 Release date: 2018-09-26 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.54 Å) Cite: A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018

本数据集为利什曼原虫（Leishmania major）N-肉豆蔻酰转移酶（N-Myristoyltransferase, NMT）结合肉豆蔻酰辅酶A与喹啉基芳基磺酰胺配体的晶体结构。配体信息：4-[4-(1-甲基哌啶-4-基)丁基]-N-[6-(2-甲基丙基)喹啉-5-基]苯磺酰胺；相关蛋白：甘氨酰肽N-十四烷酰转移酶（Glycylpeptide N-tetradecanoyltransferase）、十四烷酰辅酶A（TETRADECANOYL-COA）。作者：Robinson, D.A、Harrison, J.R、Brand, S、Smith, V.C、Thompson, S、Smith, A、Davies, K、Mok, N.Y、Torrie, L.S、Collie, I、Hallyburton, I、Norval, S、Simeons, F.R.C、Stojanovski, L、Frearson, J.A、Brenk, R、Wyatt, P.G、Gilbert, I.H、Read, K.D。入库日期：2018-05-31；发布日期：2018-09-26；最后修改日期：2024-01-17。检测方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.54埃（Å）。引用文献：《用于设计强效、高选择性且可透过血脑屏障的N-肉豆蔻酰转移酶抑制剂的分子杂交策略》，《药物化学杂志》（J. Med. Chem.），第61卷，2018年。