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TitleScreening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors
Journal, issue, pagesFEBS Lett, Vol. 588, Page 3282-, Year 2014
Publish dateJul 2, 2014 (structure data deposition date)
AuthorsLockhart, D.E. / Schuettelkopf, A.W. / Blair, D.E. / van Aalten, D.M.F.
External linksFEBS Lett / PubMed:25063338
MethodsX-ray diffraction
Resolution1.8 - 1.9 Å
Structure data

PDB-4tx6:
AfChiA1 in complex with compound 1
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4txe:
ScCTS1 in complex with compound 5
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-38B:
3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

ChemComp-38F:
(2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol

Source
  • aspergillus fumigatus a1163 (mold)
  • saccharomyces cerevisiae (brewer's yeast)
KeywordsHYDROLASE / plant-type / inhibition / chitinase / inhibitor

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