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TitleCharacterization of a mechanism-based inhibitor of NAD(P)H:quinone oxidoreductase 1 by biochemical, X-ray crystallographic, and mass spectrometric approaches.
Journal, issue, pagesBiochemistry, Vol. 40, Page 15135-15142, Year 2001
Publish dateNov 6, 2001 (structure data deposition date)
AuthorsWinski, S.L. / Faig, M. / Bianchet, M.A. / Siegel, D. / Swann, E. / Fung, K. / Duncan, M.W. / Moody, C.J. / Amzel, L.M. / Ross, D.
External linksBiochemistry / PubMed:11735396
MethodsX-ray diffraction
Resolution1.8 - 2.3 Å
Structure data

PDB-1kbo:
Complex of Human recombinant NAD(P)H:Quinone Oxide reductase type 1 with 5-methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione (ES1340)
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-1kbq:
Complex of Human NAD(P)H quinone Oxidoreductase with 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione (ES936)
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-340:
5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-4,7-DIONE

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

ChemComp-HOH:
WATER

ChemComp-936:
5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-4,7-DIONE

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / FLAVOENZYME / PRODRUG-ENZYME COMPLEX

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