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Structure paper

TitleIn vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Journal, issue, pagesChem. Biol. Interact., Vol. 240, Page 310-315, Year 2015
Publish dateMar 20, 2015 (structure data deposition date)
AuthorsZhao, Y. / Zheng, X. / Zhang, H. / Zhai, J. / Zhang, L. / Li, C. / Zeng, K. / Chen, Y. / Li, Q. / Hu, X.
External linksChem. Biol. Interact. / PubMed:26362498
MethodsX-ray diffraction
Resolution2 - 2.6 Å
Structure data

PDB-4yvp:
Crystal Structure of AKR1C1 complexed with glibenclamide
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-4yvv:
Crystal structure of AKR1C3 complexed with glibenclamide
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-4yvx:
Crystal structure of AKR1C3 complexed with glimepiride
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-4zfc:
Crystal structure of AKR1C3 complexed with glicazide
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-GBM:
5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide

ChemComp-HOH:
WATER

ChemComp-GMR:
3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-car

ChemComp-GCZ:
N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide

Source
  • homo sapiens (human)
KeywordsOxidoreductase/Oxidoreductase inhibitor / AKR1C1 inhibitor / Oxidoreductase-Oxidoreductase inhibitor complex / AKR1C3 inhibitor

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