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TitleFragment-Based Discovery of BACE1 Inhibitors Using Functional Assays
Journal, issue, pagesBiochemistry, Vol. 48, Page 10743-10751, Year 2009
Publish dateJun 16, 2009 (structure data deposition date)
AuthorsGodemann, R. / Madden, J. / Kramer, J. / Smith, M.A. / Fritz, U. / Hesterkamp, T. / Barker, J. / Hoeppner, S. / Hallett, D. / Cesura, A. ...Godemann, R. / Madden, J. / Kramer, J. / Smith, M.A. / Fritz, U. / Hesterkamp, T. / Barker, J. / Hoeppner, S. / Hallett, D. / Cesura, A. / Ebneth, A. / Kemp, J.
External linksBiochemistry / PubMed:19799414
MethodsX-ray diffraction
Resolution2.26 - 2.48 Å
Structure data

PDB-3hvg:
Structure of bace (beta secretase) in Complex with EV0
Method: X-RAY DIFFRACTION / Resolution: 2.26 Å

PDB-3hw1:
Structure of Bace (beta secretase) in complex with ligand EV2
Method: X-RAY DIFFRACTION / Resolution: 2.48 Å

Chemicals

ChemComp-EV0:
2-amino-6-propylpyrimidin-4(3H)-one

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-EV2:
3-pyrrolidin-1-ylquinoxalin-2-amine

Source
  • homo sapiens (human)
KeywordsHYDROLASE / PROTEASE / ALZHEIMER'S DISEASE / ASPARTIC PROTEASE / ASPARTYL PROTEASE / BASE / BETA-SECRETASE / GLYCOPROTEIN / MEMAPSIN 2 / Amyloid Precursor Protein Secretases / Aspartic Endopeptidases / fragment-based drug design / Fluorescence polarisation / Disulfide bond / Transmembrane / Zymogen

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