8QRT

Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam

これはPDB形式変換不可エントリーです。

8QRT の概要

• エントリーDOI: 10.2210/pdb8qrt/pdb
• 分子名称: Acyl-acp thioesterase, (5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one (3 entities in total)
• 機能のキーワード: inhibitor, herbicide, hydrolase
• 由来する生物種: Lemna aequinoctialis
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 147962.59

構造登録者

Freigang, J. (登録日: 2023-10-09, 公開日: 2024-02-21, 最終更新日: 2025-04-16)

主引用文献

Asmus, E.,Barber, D.M.,Bojack, G.,Bollenbach-Wahl, B.,Brown, R.W.,Doller, U.,Freigang, J.,Gatzweiler, E.,Getachew, R.,Heinemann, I.,Hohmann, S.,Ko, K.Y.,Laber, B.,Lange, G.,Mattison, R.L.,Minn, K.,Muller, T.,Petry, T.,Reingruber, A.M.,Schmutzler, D.,Svejda, A.,Frackenpohl, J.
Discovery and optimization of spirocyclic lactams that inhibit acyl-ACP thioesterase.
Pest Manag Sci, 81:2598-2616, 2025

PubMed Abstract: There are various methods to control weeds, that represent considerable challenges for farmers around the globe, although applying small molecular compounds is still the most effective and versatile technology to date. In the search for novel chemical entities with new modes-of-action that can control weeds displaying resistance, we have investigated two spirocyclic classes of acyl-ACP thioesterase inhibitors based on X-ray co-crystal structures and subsequent modelling studies.

PubMed: 38334233
DOI: 10.1002/ps.8015

実験手法

X-RAY DIFFRACTION (2 Å)