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TitleInhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Journal, issue, pagesFebs Lett., Vol. 587, Page 3681-3686, Year 2013
Publish dateAug 23, 2012 (structure data deposition date)
AuthorsZhang, L. / Zhang, H. / Zhao, Y. / Li, Z. / Chen, S. / Zhai, J. / Chen, Y. / Xie, W. / Wang, Z. / Li, Q. ...Zhang, L. / Zhang, H. / Zhao, Y. / Li, Z. / Chen, S. / Zhai, J. / Chen, Y. / Xie, W. / Wang, Z. / Li, Q. / Zheng, X. / Hu, X.
External linksFebs Lett. / PubMed:24100137
MethodsX-ray diffraction
Resolution1.92 - 2.3 Å
Structure data

PDB-4gqg:
Crystal structure of AKR1B10 complexed with NADP+
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-4i5x:
Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-4jih:
Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-4jii:
Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-4jir:
Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-HOH:
WATER

ChemComp-FLF:
2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID / antiinflammatory, inhibitor*YM

ChemComp-EPR:
{5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid / inhibitor*YM

ChemComp-ZST:
3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID

ChemComp-NA:
Unknown entry

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / alpha-beta TIM barrel / NADP-dependant oxidoreductase / NADP+ / TIM barrel / aldo-keto reductase / OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / oxidoreductases / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex / Structural Genomics / Structural Genomics Consortium / SGC

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