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TitleDesign and Synthesis of Bioisosteres of Acylhydrazones as Stable Inhibitors of the Aspartic Protease Endothiapepsin.
Journal, issue, pagesChemMedChem, Vol. 13, Page 2266-2270, Year 2018
Publish dateJul 21, 2017 (structure data deposition date)
AuthorsJumde, V.R. / Mondal, M. / Gierse, R.M. / Unver, M.Y. / Magari, F. / van Lier, R.C.W. / Heine, A. / Klebe, G. / Hirsch, A.K.H.
External linksChemMedChem / PubMed:30178575
MethodsX-ray diffraction
Resolution1.579 Å
Structure data

PDB-5oje:
Endothiapepsin with Ligand VSK-B24
Method: X-RAY DIFFRACTION / Resolution: 1.579 Å

Chemicals

ChemComp-VSK:
(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • cryphonectria parasitica (chestnut blight fungus)
KeywordsHYDROLASE / Protein templated DCC / Bioisostere / Inhibitor / Endothiapepsin / PEPTIDE BINDING PROTEIN

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