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Structure paper

TitleThe BACE-1 inhibitor CNP520 for prevention trials in Alzheimer's disease.
Journal, issue, pagesEMBO Mol Med, Vol. 10, Year 2018
Publish dateOct 13, 2017 (structure data deposition date)
AuthorsNeumann, U. / Ufer, M. / Jacobson, L.H. / Rouzade-Dominguez, M.L. / Huledal, G. / Kolly, C. / Luond, R.M. / Machauer, R. / Veenstra, S.J. / Hurth, K. ...Neumann, U. / Ufer, M. / Jacobson, L.H. / Rouzade-Dominguez, M.L. / Huledal, G. / Kolly, C. / Luond, R.M. / Machauer, R. / Veenstra, S.J. / Hurth, K. / Rueeger, H. / Tintelnot-Blomley, M. / Staufenbiel, M. / Shimshek, D.R. / Perrot, L. / Frieauff, W. / Dubost, V. / Schiller, H. / Vogg, B. / Beltz, K. / Avrameas, A. / Kretz, S. / Pezous, N. / Rondeau, J.M. / Beckmann, N. / Hartmann, A. / Vormfelde, S. / David, O.J. / Galli, B. / Ramos, R. / Graf, A. / Lopez Lopez, C.
External linksEMBO Mol Med / PubMed:30224383
MethodsX-ray diffraction
Resolution1.35 Å
Structure data

PDB-6eqm:
Crystal Structure of Human BACE-1 in Complex with CNP520
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

Chemicals

ChemComp-BUH:
~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Structure-based drug design / Alzheimer's disease / aspartic acid proteinase

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