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Structure paper

TitleTolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima.
Journal, issue, pagesFebs Lett., Vol. 594, Page 564-580, Year 2020
Publish dateJul 18, 2019 (structure data deposition date)
AuthorsZhang, C. / Min, Z. / Liu, X. / Wang, C. / Wang, Z. / Shen, J. / Tang, W. / Zhang, X. / Liu, D. / Xu, X.
External linksFebs Lett. / PubMed:31573681
MethodsX-ray diffraction
Resolution1.601 - 2.07 Å
Structure data

PDB-6kik:
Crystal structure of a thermostable aldo-keto reductase Tm1743 in complex with inhibitor tolrestat
Method: X-RAY DIFFRACTION / Resolution: 1.601 Å

PDB-6kiy:
Crystal structure of a thermostable aldo-keto reductase Tm1743 in complex with inhibitor Epalrestat
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6ky6:
Crystal structure of a thermostable aldo-keto reductase Tm1743 in complexs with inhibitor epalrestat in space group P3221cc
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

Chemicals

ChemComp-TOL:
TOLRESTAT / inhibitor*YM

ChemComp-HOH:
WATER

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

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-CL:
Unknown entry

Source
  • thermotoga maritima (strain atcc 43589 / msb8 / dsm 3109 / jcm 10099) (bacteria)
  • thermotoga maritima msb8 (bacteria)
KeywordsOXIDOREDUCTASE / Aldo-ketone reductase / Tolrestat / Competitive inhibitor / Epalrestat / NADPH

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