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TitleDesign, Synthesis, and Crystal Structure of Hydroxyethyl Secondary Amine-Based Peptidomimetic Inhibitors of Human beta-Secretase.
Journal, issue, pagesJ. Med. Chem., Vol. 50, Page 776-781, Year 2007
Publish dateOct 13, 2006 (structure data deposition date)
AuthorsMaillard, M.C. / Hom, R.K. / Benson, T.E. / Moon, J.B. / Mamo, S. / Bienkowski, M. / Tomasselli, A.G. / Woods, D.D. / Prince, D.B. / Paddock, D.J. ...Maillard, M.C. / Hom, R.K. / Benson, T.E. / Moon, J.B. / Mamo, S. / Bienkowski, M. / Tomasselli, A.G. / Woods, D.D. / Prince, D.B. / Paddock, D.J. / Emmons, T.L. / Tucker, J.A. / Dappen, M.S. / Brogley, L. / Thorsett, E.D. / Jewett, N. / Sinha, S. / John, V.
External linksJ. Med. Chem. / PubMed:17300163
MethodsX-ray diffraction
Resolution1.7 Å
Structure data

PDB-2iqg:
Crystal Structure of Hydroxyethyl Secondary Amine-based Peptidomimetic Inhibitor of Human Beta-Secretase (BACE)
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-F2I:
N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / protein-inhibitor complex

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