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TitleUnusual Binding Mode of the 2S4R Stereoisomer of the Potent Aldose Reductase Cyclic Imide Inhibitor Fidarestat (2S4S) in the 15 K Crystal Structure of the Ternary Complex Refined at 0.78 A Resolution: Implications for the Inhibition Mechanism
Journal, issue, pagesJ. Med. Chem., Vol. 51, Page 1478-1481, Year 2008
Publish dateNov 13, 2007 (structure data deposition date)
AuthorsZhao, H.T. / Hazemann, I. / Mitschler, A. / Carbone, V. / Joachimiak, A. / Ginell, S. / Podjarny, A. / El-Kabbani, O.
External linksJ. Med. Chem. / PubMed:18284183
MethodsX-ray diffraction
Resolution0.78 Å
Structure data

PDB-3bcj:
Crystal structure of Aldose Reductase complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S) at 0.78 A
Method: X-RAY DIFFRACTION / Resolution: 0.78 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-CIT:
CITRIC ACID

ChemComp-FIS:
(2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE / inhibitor*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Aldo-Keto Reductases / Diabetes / Drug Design / Polyl Pathway / Acetylation / Cataract / Cytoplasm / NADP / Polymorphism

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