3LPJ: Structure of BACE Bound to SCH743641

Citation:
Abstract
With collaboration between chemistry, X-ray crystallography, and molecular modeling, we designed and synthesized a series of novel piperazine sulfonamide BACE1 inhibitors. Iterative exploration of the non-prime side and S2' sub-pocket of the enzyme culminated in identification of an analog that potently lowers peripheral Abeta(40) in transgenic mice with a single subcutaneous dose.
PDB ID: 3LPJDownload
MMDB ID: 81421
PDB Deposition Date: 2010/2/5
Updated in MMDB: 2017/11
Experimental Method:
x-ray diffraction
Resolution: 1.79  Å
Source Organism:
Similar Structures:
Biological Unit for 3LPJ: dimeric; determined by author
Molecular Components in 3LPJ
Label Count Molecule
Proteins (2 molecules)
2
Beta-secretase 1(Gene symbol: BACE1)
Molecule annotation
Chemicals (4 molecules)
1
2
2
2
* Click molecule labels to explore molecular sequence information.

Citing MMDB
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