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Structure paper

TitleStructural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis .
Journal, issue, pagesJ Enzyme Inhib Med Chem, Vol. 36, Page 914-921, Year 2021
Publish dateSep 22, 2020 (structure data deposition date)
AuthorsDostal, J. / Brynda, J. / Vankova, L. / Zia, S.R. / Pichova, I. / Heidingsfeld, O. / Lepsik, M.
External linksJ Enzyme Inhib Med Chem / PubMed:33843395
MethodsX-ray diffraction
Resolution1.3 - 1.8 Å
Structure data

PDB-7agb:
Protease Sapp1p from Candida parapsilosis in complex with KB70
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-7agc:
Protease Sapp1p from Candida parapsilosis in complex with KB74
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-7agd:
Protease Sapp1p from Candida parapsilosis in complex with KB75
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7age:
Protease Sapp1p from Candida parapsilosis in complex with KB32
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-PE3:
3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL

ChemComp-HOH:
WATER

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-FOR:
FORMYL GROUP

Source
  • candida parapsilosis (yeast)
  • streptomyces albus (bacteria)
  • synthetic construct (others)
KeywordsANTIBIOTIC / Secreted aspartic protease / virulence factor / candidiasis / peptidomimetic inhibitors

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