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Structure paper

TitleOrder and disorder: differential structural impacts of myricetin and ethyl caffeate on human amylase, an antidiabetic target.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 10177-10186, Year 2012
Publish dateAug 23, 2012 (structure data deposition date)
AuthorsWilliams, L.K. / Li, C. / Withers, S.G. / Brayer, G.D.
External linksJ. Med. Chem. / PubMed:23050660
MethodsX-ray diffraction
Resolution1.2 - 1.35 Å
Structure data

PDB-4gqq:
Human pancreatic alpha-amylase with bound ethyl caffeate
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-4gqr:
Human Pancreatic alpha-amylase in complex with myricetin
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose / N-Acetylglucosamine

ChemComp-0XR:
ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate / Ethyl caffeate

ChemComp-CL:
Unknown entry / Chloride

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER / Water

ChemComp-MYC:
3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE / Myricetin

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / glycosyl hydrolase / noncompetitive inhibition / diabetes / obesity / digestion / glycosidase / enzyme inhibition / flavonol / myricetin / drug design / HYDROLASE-HYDROLASE INHIBITOR complex

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