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-Structure paper
Title | Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency. |
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Journal, issue, pages | Bioorg. Med. Chem. Lett., Vol. 25, Page 4812-4819, Year 2015 |
Publish date | May 7, 2015 (structure data deposition date) |
![]() | Egbertson, M. / McGaughey, G.B. / Pitzenberger, S.M. / Stauffer, S.R. / Coburn, C.A. / Stachel, S.J. / Yang, W. / Barrow, J.C. / Neilson, L.A. / McWherter, M. ...Egbertson, M. / McGaughey, G.B. / Pitzenberger, S.M. / Stauffer, S.R. / Coburn, C.A. / Stachel, S.J. / Yang, W. / Barrow, J.C. / Neilson, L.A. / McWherter, M. / Perlow, D. / Fahr, B. / Munshi, S. / Allison, T.J. / Holloway, K. / Selnick, H.G. / Yang, Z. / Swestock, J. / Simon, A.J. / Sankaranarayanan, S. / Colussi, D. / Tugusheva, K. / Lai, M.T. / Pietrak, B. / Haugabook, S. / Jin, L. / Chen, I.W. / Holahan, M. / Stranieri-Michener, M. / Cook, J.J. / Vacca, J. / Graham, S.L. |
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Methods | X-ray diffraction |
Resolution | 1.7 - 2 Å |
Structure data | ![]() PDB-4zpe: ![]() PDB-4zpf: ![]() PDB-4zpg: |
Chemicals | ![]() ChemComp-4QA: ![]() ChemComp-HOH: ![]() ChemComp-4QD: ![]() ChemComp-4QF: |
Source |
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![]() | Hydrolase/hydrolase inhibitor / Alzheimer Disease / Amyloid Precursor Protein Secretases / Amyloid beta-Peptides / Aspartic Acid Endopeptidases / Binding Sites / Drug Design / Transgenic / Models / Molecular / Protease Inhibitors / Structure-Activity Relationship / Hydrolase-hydrolase inhibitor complex |