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TitleStructural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1.
Journal, issue, pagesFebs J., Vol. 288, Page 1599-1613, Year 2021
Publish dateJan 16, 2020 (structure data deposition date)
AuthorsUnni, S. / Deshmukh, P. / Krishnappa, G. / Kommu, P. / Padmanabhan, B.
External linksFebs J. / PubMed:32672401
MethodsX-ray diffraction
Resolution1.54 - 1.95 Å
Structure data

PDB-6lrz:
Crystal structure of Keap1 in complex with dimethyl fumarate (DMF)
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

PDB-7c5e:
Crystal structure of Keap1 in complex with fumarate (FUM)
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-7c60:
Crystal structure of Keap1 in complex with monoethyl fumarate (MEF)
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-EOU:
dimethyl (~{E})-but-2-enedioate

ChemComp-ACT:
ACETATE ION

ChemComp-PG5:
1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-FUM:
FUMARIC ACID

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-NF3:
(~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid

Source
  • mus musculus (house mouse)
KeywordsCYTOSOLIC PROTEIN / beta-propeller domain / oxidative stress / Keap1-Nrf2 system / DMF / inhibitor complex

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