8P8K

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

This is a non-PDB format compatible entry.

Summary for 8P8K

• Entry DOI: 10.2210/pdb8p8k/pdb
• Descriptor: Acyl-ACP thioesterase, 5-[2,6-bis(fluoranyl)phenyl]-6-chloranyl-[1,3]thiazolo[4,5-b]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... (4 entities in total)
• Functional Keywords: herbicide, hydrolase
• Biological source: Lemna aequinoctialis
• Total number of polymer chains: 2
• Total formula weight: 74017.14

Authors

Freigang, J. (deposition date: 2023-06-01, release date: 2023-09-20, Last modification date: 2023-12-06)

• Primary citation: Abel, S.A.G.,Alnafta, N.,Asmus, E.,Bollenbach-Wahl, B.,Braun, R.,Dittgen, J.,Endler, A.,Frackenpohl, J.,Freigang, J.,Gatzweiler, E.,Heinemann, I.,Helmke, H.,Laber, B.,Lange, G.,Machettira, A.,McArthur, G.,Muller, T.,Odaybat, M.,Reingruber, A.M.,Roth, S.,Rosinger, C.H.,Schmutzler, D.,Schulte, W.,Stoppel, R.,Tiebes, J.,Volpin, G.,Barber, D.M.; A Study in Scaffold Hopping: Discovery and Optimization of Thiazolopyridines as Potent Herbicides That Inhibit Acyl-ACP Thioesterase.; J.Agric.Food Chem., 71:18212-18226, 2023; PubMed: 37677080; DOI: 10.1021/acs.jafc.3c02490

Experimental method