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TitleStructure-Based Optimization of Aldose Reductase Inhibitors Originating from Virtual Screening
Journal, issue, pagesChemmedchem, Vol. 4, Page 809-819, Year 2009
Publish dateJul 1, 2008 (structure data deposition date)
AuthorsEisenmann, M. / Steuber, H. / Zentgraf, M. / Altenkamper, M. / Ortmann, R. / Perruchon, J. / Klebe, G. / Schlitzer, M.
External linksChemmedchem / PubMed:19301313
MethodsX-ray diffraction
Resolution1.45 Å
Structure data

PDB-3dn5:
Aldose Reductase in complex with novel biarylic inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-53N:
3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / TIM barrel / NADPH binding site / Acetylation / Cataract / Cytoplasm / NADP / Phosphoprotein / Polymorphism

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