4UWI

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

4UWI の概要

• エントリーDOI: 10.2210/pdb4uwi/pdb
• 関連するPDBエントリー: 4UWJ
• 分子名称: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, TETRADECANOYL-COA, ... (4 entities in total)
• 機能のキーワード: transferase, drug discovery
• 由来する生物種: ASPERGILLUS FUMIGATUS
• 細胞内の位置: Cytoplasm: Q9UVX3
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 48497.15

構造登録者

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. (登録日: 2014-08-12, 公開日: 2014-12-03, 最終更新日: 2024-05-08)

• 主引用文献: Brand, S.,Norcross, N.R.,Thompson, S.,Harrison, J.R.,Smith, V.C.,Robinson, D.A.,Torrie, L.S.,McElroy, S.P.,Hallyburton, I.,Norval, S.,Scullion, P.,Stojanovski, L.,Simeons, F.R.,van Aalten, D.,Frearson, J.A.,Brenk, R.,Fairlamb, A.H.,Ferguson, M.A.,Wyatt, P.G.,Gilbert, I.H.,Read, K.D.; 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., 57:9855-9869, 2014; PubMed: 25412409; DOI: 10.1021/jm500809c

実験手法

X-RAY DIFFRACTION (1.8 Å)