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Structure paper

TitleTyramine fragment binding to BACE-1
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 18, Page 1304-1307, Year 2008
Publish dateDec 21, 2007 (structure data deposition date)
AuthorsKuglstatter, A. / Stahl, M. / Peters, J.U. / Huber, W. / Stihle, M. / Schlatter, D. / Benz, J. / Ruf, A. / Roth, D. / Enderle, T. / Hennig, M.
External linksBioorg. Med. Chem. Lett. / PubMed:18226904
MethodsX-ray diffraction
Resolution2.3 - 2.5 Å
Structure data

PDB-3bra:
BACE-1 complexed with compound 1
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3buf:
BACE-1 complexed with compound 2
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3bug:
BACE-1 complexed with compound 3
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3buh:
BACE-1 complexed with compound 4
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-AEF:
4-(2-aminoethyl)phenol

ChemComp-HOH:
WATER

ChemComp-AEG:
4-[(2R)-2-aminopropyl]phenol

ChemComp-AEH:
4-(2-aminoethyl)-2-ethylphenol

ChemComp-AED:
4-(2-aminoethyl)-2-cyclohexylphenol

Source
  • homo sapiens (human)
KeywordsHYDROLASE / ALZHEIMER'S DISEASE / ASPARTIC PROTEASE / BETA-SECRETASE / MEMAPSIN 2 / FRAGMENT SCREEN / Alternative splicing / Aspartyl protease / Glycoprotein / Membrane / Transmembrane / Zymogen

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