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Structure paper

TitleNovel Inhibitors of NRH:Quinone Oxidoreductase 2 (NQO2): Crystal Structures, Biochemical Activity, and Intracellular Effects of Imidazoacridin-6-ones.
Journal, issue, pagesJ. Med. Chem., Vol. 54, Page 6597-6611, Year 2011
Publish dateAug 12, 2011 (structure data deposition date)
AuthorsDunstan, M.S. / Barnes, J. / Humphries, M. / Whitehead, R.C. / Bryce, R.A. / Leys, D. / Stratford, I.J. / Nolan, K.A.
External linksJ. Med. Chem. / PubMed:21859103
MethodsX-ray diffraction
Resolution1.45 - 1.7 Å
Structure data

PDB-3te7:
Quinone Oxidoreductase (NQ02) bound to the imidazoacridin-6-one 5a1
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-3tem:
Quinone Oxidoreductase (NQ02) bound to the imidazoacridin-6-one 6a1
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-TE7:
5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6H-imidazo[4,5,1-de]acridin-6-one

ChemComp-IMD:
IMIDAZOLE

ChemComp-HOH:
WATER

ChemComp-6A1:
hydroxy(2-{[(5S)-6-hydroxy-8-methoxy-4,5-dihydro-3H-imidazo[4,5,1-de]acridin-5-yl]amino}ethyl)dimethylammonium

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / FAD binding protein / oxidoreductase / FAD / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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