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Structure paper

TitleConformationally biased P3 amide replacements of beta-secretase inhibitors
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 641-644, Year 2006
Publish dateOct 7, 2005 (structure data deposition date)
AuthorsStachel, S.J. / Coburn, C.A. / Steele, T.G. / Crouthamel, M.C. / Pietrak, B.L. / Lai, M.T. / Holloway, M.K. / Munshi, S.K. / Graham, S.L. / Vacca, J.P.
External linksBioorg. Med. Chem. Lett. / PubMed:16263281
MethodsX-ray diffraction
Resolution1.7 - 1.8 Å
Structure data

PDB-2b8l:
Crystal structure of human beta secretase complexed with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-2b8v:
Crystal structure of human Beta-secretase complexed with L-L000430,469
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-5HA:
N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE

ChemComp-HOH:
WATER

ChemComp-3BN:
3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE

Source
  • homo sapiens (human)
KeywordsHYDROLASE / ASPARTYL PROTEASE / BACE

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