3UFL
Discovery of Pyrrolidine-based b-Secretase Inhibitors: Lead Advancement through Conformational Design for Maintenance of Ligand Binding Efficiency
Summary for 3UFL
Entry DOI | 10.2210/pdb3ufl/pdb |
Descriptor | Beta-secretase 1, (1R,4'S)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone, SULFATE ION, ... (5 entities in total) |
Functional Keywords | aspartyl protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 1 |
Total formula weight | 44331.86 |
Authors | |
Primary citation | Stachel, S.J.,Steele, T.G.,Petrocchi, A.,Haugabook, S.J.,McGaughey, G.,Katharine Holloway, M.,Allison, T.,Munshi, S.,Zuck, P.,Colussi, D.,Tugasheva, K.,Wolfe, A.,Graham, S.L.,Vacca, J.P. Discovery of pyrrolidine-based beta-secretase inhibitors: Lead advancement through conformational design for maintenance of ligand binding efficiency. Bioorg.Med.Chem.Lett., 22:240-244, 2012 Cited by PubMed: 22130130DOI: 10.1016/j.bmcl.2011.11.024 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
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