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Structure paper

TitleComparison of Cocktail Screening in X-Ray Crystallography vs NMR
Journal, issue, pagesTo Be Published
Publish dateSep 14, 2020 (structure data deposition date)
AuthorsHassaan, E. / Klebe, G. / Heine, A. / Schiebel, J. / Koester, H.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.07946365588 Å
Structure data

PDB-7adg:
Cocktail experiment G: fragments 216 and 338 at 90 mM concentration in complex with Endothiapepsin
Method: X-RAY DIFFRACTION / Resolution: 1.07946365588 Å

Chemicals

ChemComp-483:
2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide

ChemComp-8NE:
[azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium

ChemComp-GOL:
GLYCEROL

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

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

Source
  • cryphonectria parasitica (chestnut blight fungus)
KeywordsHYDROLASE / aspartic protease / monomer

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