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

Allison, T.,Munshi, S.,Soisson, S.M. (deposition date: 2011-11-01, release date: 2012-01-18)

• 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; PubMed: 22130130; DOI: 10.1016/j.bmcl.2011.11.024

Experimental method

X-RAY DIFFRACTION (1.9 Å)