2viz

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Revision as of 09:02, 31 January 2008

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spinqualitylabelsall models 2viz, resolution 1.60Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

HUMAN BACE-1 IN COMPLEX WITH N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(2-OXO-1-PYRROLIDINYL)-5-(PROPYLOXY) BENZAMIDE

Overview

Inhibition of the aspartyl protease BACE-1 has the potential to deliver a, disease-modifying therapy for Alzheimer's disease. Herein, is described, the lead generation effort which resulted, with the support of X-ray, crystallography, in the discovery of potent inhibitors based on a hydroxy, ethylamine (HEA) transition-state mimetic. These inhibitors were capable, of lowering amyloid production in a cell-based assay.

About this Structure

2VIZ is a Single protein structure of sequence from Homo sapiens with as ligand. Active as Memapsin 2, with EC number 3.4.23.46 Known structural/functional Site: . Full crystallographic information is available from OCA.

Reference

BACE-1 inhibitors Part 1: Identification of novel hydroxy ethylamines (HEAs)., Clarke B, Demont E, Dingwall C, Dunsdon R, Faller A, Hawkins J, Hussain I, Macpherson D, Maile G, Matico R, Milner P, Mosley J, Naylor A, O'Brien A, Redshaw S, Riddell D, Rowland P, Soleil V, Smith KJ, Stanway S, Stemp G, Sweitzer S, Theobald P, Vesey D, Walter DS, Ward J, Wayne G, Bioorg Med Chem Lett. 2007 Dec 15;. PMID:18171614

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