3MSK

Fragment Based Discovery and Optimisation of BACE-1 Inhibitors

Summary for 3MSK

Entry DOI	10.2210/pdb3msk/pdb
Related	3MSJ 3MSL 3MSM
Descriptor	Beta-secretase 1, IODIDE ION, GLYCEROL, ... (5 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	1
Total formula weight	46002.83
Authors	Smith, M.A.,Madden, J.M.,Barker, J.,Godemann, R.,Kraemer, J.,Hallett, D. (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: 20656487 DOI: 10.1016/j.bmcl.2010.06.089 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation