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TitleTetrazole-containing naphthalene bis-sulfonamide Keap1-Nrf2 interaction inhibitors with unexpected binding modes.
Journal, issue, pagesRedox Biol, Vol. 88, Page 103924-103924, Year 2025
Publish dateApr 26, 2025 (structure data deposition date)
AuthorsGeorgakopoulos, N.D. / Talapatra, S.K. / Dayalan Naidu, S. / Dikovskaya, D. / Higgins, M. / Gatliff, J. / Nikoloudaki, R. / Schaap, M. / Walker, J.M. / Wardby, C. ...Georgakopoulos, N.D. / Talapatra, S.K. / Dayalan Naidu, S. / Dikovskaya, D. / Higgins, M. / Gatliff, J. / Nikoloudaki, R. / Schaap, M. / Walker, J.M. / Wardby, C. / Dinkova-Kostova, A.T. / Harris, S. / Kozielski, F. / Wells, G.
External linksRedox Biol / PubMed:41242018
MethodsX-ray diffraction
Resolution1.5 - 2.53 Å
Structure data

PDB-9r1c:
Keap1 - inhibitor complex - 1
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-9r1i:
Keap1 - inhibitor complex - 3
Method: X-RAY DIFFRACTION / Resolution: 2.53 Å

PDB-9r1z:
Keap1 - inhibitor complex - 3
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

PDB-1jb1:
Lactobacillus casei HprK/P Bound to Phosphate

ChemComp-HOH:
WATER

PDB-1jbx:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • homo sapiens (human)
KeywordsPEPTIDE BINDING PROTEIN / Kelch-like ECH-associated protein 1

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