2IRZ: Crystal Structure Of Human Beta-Secretase Complexed With Inhibitor

Citation:
Abstract
We describe the discovery and optimization of tertiary carbinamine derived inhibitors of the enzyme beta-secretase (BACE-1). These novel non-transition-state-derived ligands incorporate a single primary amine to interact with the catalytic aspartates of the target enzyme. Optimization of this series provided inhibitors with intrinsic and functional potency comparable to evolved transition state isostere derived inhibitors of BACE-1.
PDB ID: 2IRZDownload
MMDB ID: 43004
PDB Deposition Date: 2006/10/16
Updated in MMDB: 2006/12
Experimental Method:
x-ray diffraction
Resolution: 1.8  Å
Source Organism:
Similar Structures:
Biological Unit for 2IRZ: monomeric; determined by author
Molecular Components in 2IRZ
Label Count Molecule
Protein (1 molecule)
1
Beta-secretase 1(Gene symbol: BACE1)
Molecule annotation
Chemical (1 molecule)
1
1
* Click molecule labels to explore molecular sequence information.

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