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TitleIdentification of a small molecule nonpeptide active site beta-secretase inhibitor that displays a nontraditional binding mode for aspartyl proteases.
Journal, issue, pagesJ. Med. Chem., Vol. 47, Page 6117-6119, Year 2004
Publish dateJun 17, 2004 (structure data deposition date)
AuthorsCoburn, C.A. / Stachel, S.J. / Li, Y.M. / Rush, D.M. / Steele, T.G. / Chen-Dodson, E. / Holloway, M.K. / Xu, M. / Huang, Q. / Lai, M.T. ...Coburn, C.A. / Stachel, S.J. / Li, Y.M. / Rush, D.M. / Steele, T.G. / Chen-Dodson, E. / Holloway, M.K. / Xu, M. / Huang, Q. / Lai, M.T. / DiMuzio, J. / Crouthamel, M.C. / Shi, X.P. / Sardana, V. / Chen, Z. / Munshi, S. / Kuo, L. / Makara, G.M. / Annis, D.A. / Tadikonda, P.K. / Nash, H.M. / Vacca, J.P. / Wang, T.
External linksJ. Med. Chem. / PubMed:15566281
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-1tqf:
Crystal structure of human Beta secretase complexed with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-32P:
3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Aspartyl Protease / BACE

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