2WF3: Human Bace-1 In Complex With 6-(ethylamino)-n-((1s,2r)-2-hydroxy-3- (((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-1- Methyl-1, 3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2- Dioxide

Citation:
Abstract
Our first generation of hydroxyethylamine transition-state mimetic BACE-1 inhibitors allowed us to validate BACE-1 as a key target for Alzheimer's disease by demonstrating amyloid lowering in an animal model, albeit at rather high doses. Finding a molecule from this series which was active at lower oral doses proved elusive and demonstrated the need to find a novel series of inhibitors with improved pharmacokinetics. This Letter describes the discovery of such inhibitors.
PDB ID: 2WF3Download
MMDB ID: 72715
PDB Deposition Date: 2009/4/2
Updated in MMDB: 2009/06
Experimental Method:
x-ray diffraction
Resolution: 2.08  Å
Source Organism:
Similar Structures:
Biological Unit for 2WF3: monomeric; determined by author and by software (PQS)
Molecular Components in 2WF3
Label Count Molecule
Protein (1 molecule)
1
Beta-secretase 1(Gene symbol: BACE1)
Molecule annotation
Chemicals (5 molecules)
1
1
2
4
* Click molecule labels to explore molecular sequence information.

Citing MMDB
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