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Structure paper

TitleUltrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors
Journal, issue, pagesPROTEINS, Vol. 55, Page 805-813, Year 2004
Publish dateJul 2, 2003 (structure data deposition date)
AuthorsEl-Kabbani, O. / Darmanin, C. / Schneider, T.R. / Hazemann, I. / Ruiz, F. / Oka, M. / Joachimiak, A. / Schulze-Briese, C. / Tomizaki, T. / Mitschler, A. / Podjarny, A.
External linksPROTEINS / PubMed:15146479
MethodsX-ray diffraction
Resolution0.92 - 1.1 Å
Structure data

PDB-1pwl:
Crystal structure of human Aldose Reductase complexed with NADP and Minalrestat
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-1pwm:
Crystal structure of human Aldose Reductase complexed with NADP and Fidarestat
Method: X-RAY DIFFRACTION / Resolution: 0.92 Å

Chemicals

ChemComp-BFI:
2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-HOH:
WATER

ChemComp-CL:
Unknown entry

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

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / ALDOSE REDUCTASE / ATOMIC RESOLUTION / TERNARY COMPLEX / INHIBITOR BINDING

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