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Structure paper

TitleDesign and synthesis of novel BACE-1 inhibitors
Journal, issue, pagesTo be Published
Publish dateAug 16, 2012 (structure data deposition date)
AuthorsSandgren, V. / Belda, O. / Johansson, P.O. / Kvarnstrom, I. / Lindberg, J. / Dahlgren, A. / Samuelsson, B.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-4gmi:
BACE-1 in complex with HEA-type macrocyclic inhibitor, MV078571
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-0XA:
(4S,8E)-4-[(1R)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione

ChemComp-ACT:
ACETATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHydrolase/Hydrolase inhibitor / BACE-1 / ASP2 / BACE / Macrocycle / Hydrolase / Hydrolase-Hydrolase inhibitor complex

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