3MSK: Fragment Based Discovery and Optimisation of BACE-1 Inhibitors

PDB ID: 3MSKDownload
MMDB ID: 83362
PDB Deposition Date: 2010/4/29
Updated in MMDB: 2023/09
Experimental Method:
x-ray diffraction
Resolution: 2  Å
Source Organism:
Similar Structures:
Biological Unit for 3MSK: monomeric; determined by author and by software (PISA)
Molecular Components in 3MSK
Label Count Molecule
Protein (1 molecule)
1
Beta-secretase 1
(Gene symbol: BACE1)
Molecule annotation
Chemicals and Non-standard biopolymers (3 molecules)
1
1
IODIDE IONIODIDE ION
2
1
GLYCEROLGLYCEROL
3
1
4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303