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TitleDesign of potent inhibitors of human beta-secretase. Part 2.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 17, Page 78-81, Year 2007
Publish dateJul 10, 2006 (structure data deposition date)
AuthorsFreskos, J.N. / Fobian, Y.M. / Benson, T.E. / Moon, J.B. / Bienkowski, M.J. / Brown, D.L. / Emmons, T.L. / Heintz, R. / Laborde, A. / McDonald, J.J. ...Freskos, J.N. / Fobian, Y.M. / Benson, T.E. / Moon, J.B. / Bienkowski, M.J. / Brown, D.L. / Emmons, T.L. / Heintz, R. / Laborde, A. / McDonald, J.J. / Mischke, B.V. / Molyneaux, J.M. / Mullins, P.B. / Bryan Prince, D. / Paddock, D.J. / Tomasselli, A.G. / Winterrowd, G.
External linksBioorg. Med. Chem. Lett. / PubMed:17049233
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-2hm1:
Crystal Structure of human beta-secretase (BACE) in the presence of an inhibitor (2)
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-LIQ:
N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE

ChemComp-HOH:
WATER

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

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