6GNV

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

6GNV の概要

• エントリーDOI: 10.2210/pdb6gnv/pdb
• 分子名称: Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ~{N}-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide, ... (5 entities in total)
• 機能のキーワード: acyltransferase, transferase, drug discovery
• 由来する生物種: Leishmania major
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 48830.54

構造登録者

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. (登録日: 2018-05-31, 公開日: 2018-10-10, 最終更新日: 2024-01-17)

• 主引用文献: Harrison, J.R.,Brand, S.,Smith, V.,Robinson, D.A.,Thompson, S.,Smith, A.,Davies, K.,Mok, N.,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.; A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.; J. Med. Chem., 61:8374-8389, 2018; PubMed: 30207721; DOI: 10.1021/acs.jmedchem.8b00884

実験手法

X-RAY DIFFRACTION (2.2 Å)