3QBH: Structure Based Design, Synthesis And Sar Of Cyclic Hydroxyethylamine (hea) Bace-1 Inhibitors

PDB ID: 3QBHDownload
MMDB ID: 89415
PDB Deposition Date: 2011/1/13
Updated in MMDB: 2017/11
Experimental Method:
x-ray diffraction
Resolution: 2.24  Å
Source Organism:
Similar Structures:
Biological Unit for 3QBH: monomeric; determined by author and by software (PISA)
Molecular Components in 3QBH
Label Count Molecule
Protein (1 molecule)
1
Beta-secretase 1
(Gene symbol: BACE1)
Molecule annotation
Chemical and Non-standard biopolymers (1 molecule)
1
1
(4s)-4-(2-Hydroxy-5-{[(3s,4s,5r)-4-Hydroxy-1,1-Dioxido-5-{[3-(Propan-2-Yl)benzyl]amino}tetrahydro-2h-Thiopyran-3-Yl]methyl}benzyl)-3-Propyl-1,3-Oxazolidin-2-One(4s)-4-(2-Hydroxy-5-{[(3s,4s,5r)-4-Hydroxy-1,1-Dioxido-5-{[3-(Propan-2-Yl)benzyl]amino}tetrahydro-2h-Thiopyran-3-Yl]methyl}benzyl)-3-Propyl-1,3-Oxazolidin-2-One
* 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