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TitleFlavonoid-based inhibitors of the Phi-class glutathione transferase from black-grass to combat multiple herbicide resistance.
Journal, issue, pagesOrg. Biomol. Chem., Vol. 19, Page 9211-9222, Year 2021
Publish dateDec 11, 2019 (structure data deposition date)
AuthorsSchwarz, M. / Eno, R.F.M. / Freitag-Pohl, S. / Coxon, C.R. / Straker, H.E. / Wortley, D.J. / Hughes, D.J. / Mitchell, G. / Moore, J. / Cummins, I. ...Schwarz, M. / Eno, R.F.M. / Freitag-Pohl, S. / Coxon, C.R. / Straker, H.E. / Wortley, D.J. / Hughes, D.J. / Mitchell, G. / Moore, J. / Cummins, I. / Onkokesung, N. / Brazier-Hicks, M. / Edwards, R. / Pohl, E. / Steel, P.G.
External linksOrg. Biomol. Chem. / PubMed:34643629
MethodsX-ray diffraction
Resolution2.3 - 2.798 Å
Structure data

PDB-6to3:
GSTF1 from Alopecurus myosuroides - covalently modified
Method: X-RAY DIFFRACTION / Resolution: 2.798 Å

PDB-7obo:
GSTF1 from Alopecurus myosuroides
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-7odm:
AmGSTF1 Y118S variant
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-5Z8:
4-chloro-7-nitrobenzofurazan

ChemComp-HOH:
WATER

ChemComp-V7K:
(2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

ChemComp-VDW:
[(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium

Source
  • alopecurus myosuroides (plant)
KeywordsTRANSFERASE / Glutathione-S-transferase / Ligandin / flavonoid binding / mult-herbicide resistence / Glutathione

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