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Structure paper

TitleSmall molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.
Journal, issue, pagesBioorg. Med. Chem., Vol. 21, Page 4011-4019, Year 2013
Publish dateJan 3, 2013 (structure data deposition date)
AuthorsMarcotte, D. / Zeng, W. / Hus, J.C. / McKenzie, A. / Hession, C. / Jin, P. / Bergeron, C. / Lugovskoy, A. / Enyedy, I. / Cuervo, H. ...Marcotte, D. / Zeng, W. / Hus, J.C. / McKenzie, A. / Hession, C. / Jin, P. / Bergeron, C. / Lugovskoy, A. / Enyedy, I. / Cuervo, H. / Wang, D. / Atmanene, C. / Roecklin, D. / Vecchi, M. / Vivat, V. / Kraemer, J. / Winkler, D. / Hong, V. / Chao, J. / Lukashev, M. / Silvian, L.
External linksBioorg. Med. Chem. / PubMed:23647822
MethodsX-ray diffraction
Resolution1.97 - 2.59 Å
Structure data

PDB-4in4:
Crystal structure of cpd 15 bound to Keap1 Kelch domain
Method: X-RAY DIFFRACTION / Resolution: 2.59 Å

PDB-4iqk:
Crystal structure of cpd 16 bound to Keap1 Kelch domain
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-4ID:
2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

ChemComp-HOH:
WATER

ChemComp-IQK:
N,N'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide)

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION

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