Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and an Azepanyl Phenyl Benzylsulphonamide Ligand

Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and an Azepanyl Phenyl Benzylsulphonamide Ligand Descriptor: Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate 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: 2018-05-30 Release date: 2018-09-26 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.89 Å) Cite: A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018

本数据集包含利什曼原虫（Leishmania major）N-肉豆蔻酰基转移酶（N-Myristoyltransferase, NMT）结合肉豆蔻酰辅酶A（Myristoyl-CoA）与氮杂环庚基苯基苄基磺酰胺配体的晶体结构相关信息。
配体描述：甘氨酰肽N-十四碳酰基转移酶、十四烷酰辅酶A、4-(氮杂环庚烷-1-基)-3-[(4-甲氧基苯基)磺酰氨基]苯甲酸甲酯。
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。
提交日期：2018-05-30
发布日期：2018-09-26
最后修改日期：2024-01-17
实验方法：X射线衍射（X-RAY DIFFRACTION，分辨率1.89埃）
引用文献：《用于设计强效、高选择性且可透过血脑屏障的N-肉豆蔻酰基转移酶抑制剂的分子杂交策略》，《药物化学杂志（Journal of Medicinal Chemistry, J. Med. Chem.）》，2018年，第61卷。