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Structure paper

TitleToward beta-Secretase-1 Inhibitors with Improved Isoform Selectivity.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 3491-3502, Year 2018
Publish dateSep 20, 2017 (structure data deposition date)
AuthorsJohansson, P. / Kaspersson, K. / Gurrell, I.K. / Back, E. / Eketjall, S. / Scott, C.W. / Cebers, G. / Thorne, P. / McKenzie, M.J. / Beaton, H. ...Johansson, P. / Kaspersson, K. / Gurrell, I.K. / Back, E. / Eketjall, S. / Scott, C.W. / Cebers, G. / Thorne, P. / McKenzie, M.J. / Beaton, H. / Davey, P. / Kolmodin, K. / Holenz, J. / Duggan, M.E. / Budd Haeberlein, S. / Burli, R.W.
External linksJ. Med. Chem. / PubMed:29617572
MethodsX-ray diffraction
Resolution1.46 - 1.94 Å
Structure data

PDB-6ej2:
BACE1 compound 28
Method: X-RAY DIFFRACTION / Resolution: 1.46 Å

PDB-6ej3:
BACE1 compound 23
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

Chemicals

ChemComp-B7E:
compound 28

ChemComp-HOH:
WATER

ChemComp-B7T:
(1r,4r)-4-methoxy-6'-(5-methyl-3-pyridinyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-[1,3]oxazol]-2''-amine

Source
  • homo sapiens (human)
KeywordsPEPTIDE BINDING PROTEIN / BACE1 / protease / Alzheimer

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