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TitleThe Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition.
Journal, issue, pagesAcs Chem. Biol., Vol. 10, Page 1637-1642, Year 2015
Publish dateJul 21, 2014 (structure data deposition date)
AuthorsFanfrlik, J. / Ruiz, F.X. / Kadlcikova, A. / Rezac, J. / Cousido-Siah, A. / Mitschler, A. / Haldar, S. / Lepsik, M. / Kolar, M.H. / Majer, P. ...Fanfrlik, J. / Ruiz, F.X. / Kadlcikova, A. / Rezac, J. / Cousido-Siah, A. / Mitschler, A. / Haldar, S. / Lepsik, M. / Kolar, M.H. / Majer, P. / Podjarny, A.D. / Hobza, P.
External linksAcs Chem. Biol. / PubMed:25919404
MethodsX-ray diffraction
Resolution0.867 Å
Structure data

PDB-4qxi:
Crystal structure of human AR complexed with NADP+ and AK198
Method: X-RAY DIFFRACTION / Resolution: 0.867 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-I98:
{2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / TIM barrel / Aldose reductase / diabetes / Halogenated compound / Cytosolic

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