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Structure paper

TitleStructure and inhibition of Cryptococcus neoformans sterylglucosidase to develop antifungal agents.
Journal, issue, pagesNat Commun, Vol. 12, Page 5885-5885, Year 2021
Publish dateFeb 12, 2021 (structure data deposition date)
AuthorsPereira de Sa, N. / Taouil, A. / Kim, J. / Clement, T. / Hoffmann, R.M. / Burke, J.E. / Rizzo, R.C. / Ojima, I. / Del Poeta, M. / Airola, M.V.
External linksNat Commun / PubMed:34620873
MethodsX-ray diffraction
Resolution2.13 - 2.85 Å
Structure data

PDB-7lpo:
Crystal structure of Cryptococcus neoformans sterylglucosidase 1 with tris
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

PDB-7lpp:
Crystal structure of Cryptococcus neoformans sterylglucosidase 1 with hit 1
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

PDB-7lpq:
Crystal structure of Cryptococcus neoformans sterylglucosidase 1 with hit 9
Method: X-RAY DIFFRACTION / Resolution: 2.32 Å

Chemicals

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-YAG:
4-(hydroxymethyl)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-ol

ChemComp-GOL:
GLYCEROL

ChemComp-YAJ:
~{N}-[(3~{R},5~{S})-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-2-(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)ethanamide

Source
  • cryptococcus neoformans var. grubii serotype a (strain h99 / atcc 208821 / cbs 10515 / fgsc 9487) (fungus)
KeywordsHYDROLASE / glucosidase / sterylglucosidase

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