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TitleDiscovery of a Novel Warhead Against Beta-Secretase Through Fragment-Based Lead Generation.
Journal, issue, pagesJ. Med. Chem., Vol. 50, Page 5903-, Year 2007
Publish dateMay 3, 2007 (structure data deposition date)
AuthorsGeschwindner, S. / Olsson, L.L. / Albert, J.S. / Deinum, J. / Edwards, P.D. / De Beer, T. / Folmer, R.H.A.
External linksJ. Med. Chem. / PubMed:17985861
MethodsX-ray diffraction
Resolution1.55 Å
Structure data

PDB-2v00:
X-ray crystal structure of endothiapepsin complexed with compound 1
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-ACT:
ACETATE ION

ChemComp-V15:
2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE

ChemComp-HOH:
WATER

Source
  • cryphonectria parasitica (chestnut blight fungus)
KeywordsHYDROLASE / FRAGMENT HIT / B- SECRETASE / ENDOTHIAPEPSIN / BACE / ZYMOGEN / PROTEASE / ISOCYTOSINE / ALZHEIMER'S DISEASE / FRAGMENT-BASED LEAD GENERATION / ASPARTYL PROTEASE / SURROGATE PROTEIN

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