4I0Z: Structure-based Design Of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage The Catalytic Aspartates

PDB ID: 4I0ZDownload
MMDB ID: 108189
PDB Deposition Date: 2012/11/19
Updated in MMDB: 2013/04
Experimental Method:
x-ray diffraction
Resolution: 1.8  Å
Source Organism:
Similar Structures:
Biological Unit for 4I0Z: monomeric; determined by author
Molecular Components in 4I0Z
Label Count Molecule
Protein (1 molecule)
1
2-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1- Yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile
(Gene symbol: BACE1)
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
1
2-{(1s)-1-[(6-Chloro-3,3-Dimethyl-3,4-Dihydroisoquinolin-1-Yl)amino]-2-Phenylethyl}-4-Oxo-1,4-Dihydropyrimidine-5-Carbonitrile2-{(1s)-1-[(6-Chloro-3,3-Dimethyl-3,4-Dihydroisoquinolin-1-Yl)amino]-2-Phenylethyl}-4-Oxo-1,4-Dihydropyrimidine-5-Carbonitrile
2
4
Zinc IonZinc Ion
* 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