4B11

Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 13)

4B11 の概要

• エントリーDOI: 10.2210/pdb4b11/pdb
• 関連するPDBエントリー: 4A95 4B10 4B12 4B13 4B14
• 分子名称: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, 3-methyl-N-(naphthalen-1-ylmethyl)-4-piperidin-4-yloxy-1-benzofuran-2-carboxamide, 2-oxopentadecyl-CoA, ... (8 entities in total)
• 機能のキーワード: transferase, myristoyltransferase, malaria, drug design
• 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: 139997.21

構造登録者

Yu, Z.,Brannigan, J.A.,Moss, D.K.,Brzozowski, A.M.,Wilkinson, A.J.,Holder, A.A.,Tate, E.W.,Leatherbarrow, R.J. (登録日: 2012-07-06, 公開日: 2012-10-17, 最終更新日: 2023-12-20)

主引用文献

Yu, Z.,Brannigan, J.A.,Moss, D.K.,Brzozowski, A.M.,Wilkinson, A.J.,Holder, A.A.,Tate, E.W.,Leatherbarrow, R.J.
Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery.
J.Med.Chem., 55:8879-, 2012

PubMed Abstract: Design of inhibitors for N-myristoyltransferase (NMT), an enzyme responsible for protein trafficking in Plasmodium falciparum , the most lethal species of parasites that cause malaria, is described. Chemistry-driven optimization of compound 1 from a focused NMT inhibitor library led to the identification of two early lead compounds 4 and 25, which showed good enzyme and cellular potency and excellent selectivity over human NMT. These molecules provide a valuable starting point for further development.

PubMed: 23035716
DOI: 10.1021/JM301160H

実験手法

X-RAY DIFFRACTION (1.59 Å)