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TitleStructure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 19, Page 1361-1365, Year 2009
Publish dateJul 18, 2008 (structure data deposition date)
AuthorsMachauer, R. / Veenstra, S. / Rondeau, J.M. / Tintelnot-Blomley, M. / Betschart, C. / Neumann, U. / Paganetti, P.
External linksBioorg. Med. Chem. Lett. / PubMed:19195886
MethodsX-ray diffraction
Resolution1.97 Å
Structure data

PDB-3duy:
Crystal structure of human beta-secretase in complex with NVP-AFJ144
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

Chemicals

ChemComp-AFJ:
(2R,4S,5S)-N-butyl-4-hydroxy-2,7-dimethyl-5-{[N-(4-methylpentanoyl)-L-methionyl]amino}octanamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Beta-secretase / Bace1 / Memapsin2 / Enzyme inhibitor complex / Alzheimer's disease / Alternative splicing / Aspartyl protease / Glycoprotein / Membrane / Protease / Transmembrane / Zymogen

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