8CI0
Maize Transketolase in complex with TPP and hydrolyzed (+)-Cornexistin
This is a non-PDB format compatible entry.
Summary for 8CI0
| Entry DOI | 10.2210/pdb8ci0/pdb |
| Descriptor | Transketolase, chloroplastic, MAGNESIUM ION, THIAMINE DIPHOSPHATE, ... (6 entities in total) |
| Functional Keywords | herbicide, transferase |
| Biological source | Zea mays |
| Total number of polymer chains | 3 |
| Total formula weight | 226166.67 |
| Authors | Freigang, J. (deposition date: 2023-02-08, release date: 2023-03-22, Last modification date: 2024-06-19) |
| Primary citation | Steinborn, C.,Tancredi, A.,Habiger, C.,Diederich, C.,Kramer, J.,Reingruber, A.M.,Laber, B.,Freigang, J.,Lange, G.,Schmutzler, D.,Machettira, A.,Besong, G.,Magauer, T.,Barber, D.M. Investigations into Simplified Analogues of the Herbicidal Natural Product (+)-Cornexistin. Chemistry, 29:e202300199-e202300199, 2023 Cited by PubMed Abstract: We report the design, synthesis and biological evaluation of simplified analogues of the herbicidal natural product (+)-cornexistin. Guided by an X-Ray co-crystal structure of cornexistin bound to transketolase from Zea mays, we attempted to identify the key interactions that are necessary for cornexistin to maintain its herbicidal profile. This resulted in the preparation of three novel analogues investigating the importance of substituents that are located on the nine-membered ring of cornexistin. One analogue maintained a good level of biological activity and could provide researchers insights in how to further optimize the structure of cornexistin for commercialization in the future. PubMed: 36807428DOI: 10.1002/chem.202300199 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.902 Å) |
Structure validation
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