8QRT
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
This is a non-PDB format compatible entry.
Summary for 8QRT
| Entry DOI | 10.2210/pdb8qrt/pdb |
| Descriptor | 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) |
| Functional Keywords | inhibitor, herbicide, hydrolase |
| Biological source | Lemna aequinoctialis |
| Total number of polymer chains | 4 |
| Total formula weight | 147962.59 |
| Authors | Freigang, J. (deposition date: 2023-10-09, release date: 2024-02-21, Last modification date: 2025-04-16) |
| Primary citation | 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 Cited by 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: 38334233DOI: 10.1002/ps.8015 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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