5T6E

Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dichloro-dimethylpyridyl-methoxy-phenyl-pyridyl-piperazine ligand

5T6E の概要

• エントリーDOI: 10.2210/pdb5t6e/pdb
• 分子名称: Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, 1-(4-{3,5-dichloro-4-[(2,4-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine, ... (4 entities in total)
• 機能のキーワード: acyltransferase, transferase, drug discovery
• 由来する生物種: Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 48864.51

構造登録者

Robinson, D.A.,Wyatt, P.G. (登録日: 2016-09-01, 公開日: 2017-09-13, 最終更新日: 2024-01-17)

• 主引用文献: Bayliss, T.,Robinson, D.A.,Smith, V.C.,Brand, S.,McElroy, S.P.,Torrie, L.S.,Mpamhanga, C.,Norval, S.,Stojanovski, L.,Brenk, R.,Frearson, J.A.,Read, K.D.,Gilbert, I.H.,Wyatt, P.G.; Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.; J. Med. Chem., 60:9790-9806, 2017; PubMed: 29125744; DOI: 10.1021/acs.jmedchem.7b01255

実験手法

X-RAY DIFFRACTION (2.3 Å)