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Structure paper

TitleNew aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 9297-9311, Year 2012
Publish dateJul 10, 2012 (structure data deposition date)
AuthorsGravenfors, Y. / Viklund, J. / Blid, J. / Ginman, T. / Karlstrom, S. / Kihlstrom, J. / Kolmodin, K. / Lindstrom, J. / von Berg, S. / von Kieseritzky, F. ...Gravenfors, Y. / Viklund, J. / Blid, J. / Ginman, T. / Karlstrom, S. / Kihlstrom, J. / Kolmodin, K. / Lindstrom, J. / von Berg, S. / von Kieseritzky, F. / Bogar, K. / Slivo, C. / Swahn, B.M. / Olsson, L.L. / Johansson, P. / Eketjall, S. / Falting, J. / Jeppsson, F. / Stromberg, K. / Janson, J. / Rahm, F.
External linksJ. Med. Chem. / PubMed:23017051
MethodsX-ray diffraction
Resolution1.95 Å
Structure data

PDB-4b1c:
New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-4b1d:
New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-4b1e:
New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-1B1:
(2R)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2H-imidazol-4-amine

ChemComp-HOH:
WATER

ChemComp-ACT:
ACETATE ION

ChemComp-6TG:
(2S)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)-2H-imidazol-4-amine

ChemComp-6T6:
(2R)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-imidazol-4-amine

Source
  • homo sapiens (human)
KeywordsHYDROLASE / LEAD GENERATION / STRUCTURE-BASED DRUG DESIGN / INHIBITOR

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