3MSJ

Structure of bace (beta secretase) in complex with inhibitor

Summary for 3MSJ

• Entry DOI: 10.2210/pdb3msj/pdb
• Descriptor: BETA-SECRETASE 1, 3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol, GLYCEROL, ... (4 entities in total)
• Functional Keywords: protease, alzheimer's disease, aspartic protease, aspartyl protease, base, beta-secretase, glycoprotein, hydrolase, memapsin 2, amyloid precursor protein secretases, aspartic endopeptidases, fragment-based drug design, fluorescence polarisation, transmembrane, zymogen, 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: 3
• Total formula weight: 139625.74

Authors

Madden, J.,Kramer, J.,Smith, M.A.,Barker, J.,Godemann, R. (deposition date: 2010-04-29, release date: 2010-07-14, Last modification date: 2023-09-06)

• Primary citation: Madden, J.,Dod, J.R.,Godemann, R.,Kraemer, J.,Smith, M.,Biniszkiewicz, M.,Hallett, D.J.,Barker, J.,Dyekjaer, J.D.,Hesterkamp, T.; Fragment-based discovery and optimization of BACE1 inhibitors.; Bioorg.Med.Chem.Lett., 20:5329-5333, 2010; PubMed: 20656487; DOI: 10.1016/j.bmcl.2010.06.089

Experimental method

X-RAY DIFFRACTION (1.8 Å)