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TitleHigh-Resolution Structures of Human Aldose Reductase Holoenzyme in Complex with Stereoisomers of the Potent Inhibitor Fidarestat: Stereospecific Interaction between the Enzyme and a Cyclic Imide Type Inhibitor
Journal, issue, pagesJ. Med. Chem., Vol. 47, Page 4530-4537, Year 2004
Publish dateAug 19, 2004 (structure data deposition date)
AuthorsEl-Kabbani, O. / Darmanin, C. / Oka, M. / Schulze-Briese, C. / Tomizaki, T. / Hazemann, I. / Mitschler, A. / Podjarny, A.
External linksJ. Med. Chem. / PubMed:15317464
MethodsX-ray diffraction
Resolution1.3 - 1.4 Å
Structure data

PDB-1x96:
Crystal structure of Aldose Reductase with citrates bound in the active site
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-1x97:
Crystal structure of Aldose Reductase complexed with 2R4S (Stereoisomer of Fidarestat, 2S4S)
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-1x98:
Crystal structure of Aldose Reductase complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S)
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-CIT:
CITRIC ACID

ChemComp-HOH:
WATER

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

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

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Eight strandard alpha/beta barrel / active site / the C-terminal end of the barrel

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