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Structure paper

TitleStructure-Guided Discovery of Silicon-Containing Subnanomolar Inhibitor of Hydroxyphenylpyruvate Dioxygenase as a Potential Herbicide.
Journal, issue, pagesJ. Agric. Food Chem., Vol. 69, Page 459-473, Year 2021
Publish dateNov 29, 2017 (structure data deposition date)
AuthorsQu, R.Y. / Nan, J.X. / Yan, Y.C. / Chen, Q. / Ndikuryayo, F. / Wei, X.F. / Yang, W.C. / Lin, H.Y. / Yang, G.F.
External linksJ. Agric. Food Chem. / PubMed:33395281
MethodsX-ray diffraction
Resolution1.842 - 2.804 Å
Structure data

PDB-5ywk:
Crystal structure of Arabidopsis thaliana HPPD complexed with Benquitrione-Methyl
Method: X-RAY DIFFRACTION / Resolution: 2.804 Å

PDB-6m6d:
Structure of HPPD complexed with a synthesized inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.842 Å

Chemicals

ChemComp-CO:
Unknown entry

ChemComp-92X:
1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione

ChemComp-HOH:
WATER

ChemComp-NJX:
1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-trimethylsilylprop-2-ynyl)quinazoline-2,4-dione

Source
  • arabidopsis thaliana (thale cress)
KeywordsOXIDOREDUCTASE / 4-hydroxyphenylpyruvate dioxygenase / Herbicide / drug discovery / inhibitor / complex

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