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 Cited by PubMed: 20656487DOI: 10.1016/j.bmcl.2010.06.089 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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