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Structure paper

TitleAminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 1854-1859, Year 2012
Publish dateDec 19, 2011 (structure data deposition date)
AuthorsSwahn, B.M. / Holenz, J. / Kihlstrom, J. / Kolmodin, K. / Lindstrom, J. / Plobeck, N. / Rotticci, D. / Sehgelmeble, F. / Sundstrom, M. / Berg, S.v. ...Swahn, B.M. / Holenz, J. / Kihlstrom, J. / Kolmodin, K. / Lindstrom, J. / Plobeck, N. / Rotticci, D. / Sehgelmeble, F. / Sundstrom, M. / Berg, S.v. / Falting, J. / Georgievska, B. / Gustavsson, S. / Neelissen, J. / Ek, M. / Olsson, L.L. / Berg, S.
External linksBioorg. Med. Chem. Lett. / PubMed:22325942
MethodsX-ray diffraction
Resolution1.75 - 2 Å
Structure data

PDB-4acu:
Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 14
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-4acx:
Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 23
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-ACT:
ACETATE ION

ChemComp-QN7:
(8S)-3,3-DIFLUORO-8-(2'-FLUORO-3'-METHOXYBIPHENYL-3-YL)-8-PYRIDIN-4-YL-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE

ChemComp-HOH:
WATER

ChemComp-S8Z:
(8R)-8-[4-(DIFLUOROMETHOXY)PHENYL]-3,3-DIFLUORO-8-[3-(3-METHOXYPROP-1-YN-1-YL)PHENYL]-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE

Source
  • homo sapiens (human)
KeywordsHYDROLASE / ALZHEIMER'S DISEASE

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