4A95

Plasmodium vivax N-myristoyltransferase with quinoline inhibitor

4A95 の概要

• エントリーDOI: 10.2210/pdb4a95/pdb
• 分子名称: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, 3-(3-BUTYL-6-METHOXY-2-METHYL-QUINOLIN-4-YL)SULFANYLPROPANENITRILE, 2-oxopentadecyl-CoA, ... (7 entities in total)
• 機能のキーワード: transferase, malaria
• 由来する生物種: PLASMODIUM VIVAX
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 139033.63

構造登録者

Goncalves, V.,Brannigan, J.A.,Whalley, D.,Ansell, K.H.,Saxty, B.,Holder, A.A.,Wilkinson, A.J.,Tate, E.W.,Leatherbarrow, R.J. (登録日: 2011-11-24, 公開日: 2012-06-27, 最終更新日: 2024-05-01)

主引用文献

Goncalves, V.,Brannigan, J.A.,Whalley, D.,Ansell, K.H.,Saxty, B.,Holder, A.A.,Wilkinson, A.J.,Tate, E.W.,Leatherbarrow, R.J.
Discovery of Plasmodium Vivax N-Myristoyltransferase Inhibitors: Screening, Synthesis, and Structural Characterization of Their Binding Mode.
J.Med.Chem., 55:3578-, 2012

PubMed Abstract: N-Myristoyltransferase (NMT) is a prospective drug target against parasitic protozoa. Herein we report the successful discovery of a series of Plasmodium vivax NMT inhibitors by high-throughput screening. A high-resolution crystal structure of the hit compound in complex with NMT was obtained, allowing understanding of its novel binding mode. A set of analogues was designed and tested to define the chemical groups relevant for activity and selectivity.

PubMed: 22439843
DOI: 10.1021/JM300040P

実験手法

X-RAY DIFFRACTION (1.55 Å)