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Structure paper

TitleBeta-secretase (BACE-1) inhibitors: accounting for 10s loop flexibility using rigid active sites.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 17, Page 1117-1121, Year 2007
Publish dateNov 8, 2006 (structure data deposition date)
AuthorsMcGaughey, G.B. / Colussi, D. / Graham, S.L. / Lai, M.T. / Munshi, S.K. / Nantermet, P.G. / Pietrak, B. / Rajapakse, H.A. / Selnick, H.G. / Stauffer, S.R. / Holloway, M.K.
External linksBioorg. Med. Chem. Lett. / PubMed:17112725
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-2ntr:
Crystal structure of Human Bace-1 bound to inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-L00:
(2R)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / BACE / Aspartyl protease

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