Literature DB >> 15451669

Apo and inhibitor complex structures of BACE (beta-secretase).

Sahil Patel1, Laurent Vuillard, Anne Cleasby, Christopher W Murray, Jeff Yon.   

Abstract

Human BACE, also known as beta-secretase, shows promise as a potential therapeutic target for Alzheimer's disease. We determined the apo structure of BACE to 1.75 A, and a structure of a hydroxyethylamine inhibitor complex derived by soaking. These show significant active-site movements compared to previously described BACE structures. Additionally, the structures reveal two pockets that could be targeted by structure-based drug design.

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Year:  2004        PMID： 15451669     DOI： 10.1016/j.jmb.2004.08.018

Source DB:  PubMed          Journal:  J Mol Biol        ISSN： 0022-2836            Impact factor:   5.469


  30 in total

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2.  Fragment-guided approach to incorporating structural information into a CoMFA study: BACE-1 as an example.

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Journal:  J Comput Aided Mol Des       Date:  2010-07-27       Impact factor: 3.686

3.  Inhibition of beta-secretase in vivo via antibody binding to unique loops (D and F) of BACE1.

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Journal:  J Biol Chem       Date:  2011-01-05       Impact factor: 5.157

Review 4.  Sequence, Structural Analysis and Metrics to Define the Unique Dynamic Features of the Flap Regions Among Aspartic Proteases.

Authors:  Lara McGillewie; Muthusamy Ramesh; Mahmoud E Soliman
Journal:  Protein J       Date:  2017-10       Impact factor: 2.371

5.  Loss of cleavage at β'-site contributes to apparent increase in β-amyloid peptide (Aβ) secretion by β-secretase (BACE1)-glycosylphosphatidylinositol (GPI) processing of amyloid precursor protein.

Authors:  Kulandaivelu S Vetrivel; Arghya Barman; Ying Chen; Phuong D Nguyen; Steven L Wagner; Rajeev Prabhakar; Gopal Thinakaran
Journal:  J Biol Chem       Date:  2011-06-03       Impact factor: 5.157

6.  Assigning the protonation states of the key aspartates in β-Secretase using QM/MM X-ray structure refinement.

Authors:  Ning Yu; Seth A Hayik; Bing Wang; Ning Liao; Charles H Reynolds; Kenneth M Merz
Journal:  J Chem Theory Comput       Date:  2006       Impact factor: 6.006

7.  MixMD Probeview: Robust Binding Site Prediction from Cosolvent Simulations.

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Journal:  J Chem Inf Model       Date:  2018-06-26       Impact factor: 4.956

Review 8.  Lysine acetylation in the lumen of the ER: a novel and essential function under the control of the UPR.

Authors:  Mariana Pehar; Luigi Puglielli
Journal:  Biochim Biophys Acta       Date:  2012-12-13

9.  Discovery of AZD3839, a potent and selective BACE1 inhibitor clinical candidate for the treatment of Alzheimer disease.

Authors:  Fredrik Jeppsson; Susanna Eketjäll; Juliette Janson; Sofia Karlström; Susanne Gustavsson; Lise-Lotte Olsson; Ann-Cathrine Radesäter; Bart Ploeger; Gvido Cebers; Karin Kolmodin; Britt-Marie Swahn; Stefan von Berg; Tjerk Bueters; Johanna Fälting
Journal:  J Biol Chem       Date:  2012-10-09       Impact factor: 5.157

10.  Protein flexibility in virtual screening: the BACE-1 case study.

Authors:  Sandro Cosconati; Luciana Marinelli; Francesco Saverio Di Leva; Valeria La Pietra; Angela De Simone; Francesca Mancini; Vincenza Andrisano; Ettore Novellino; David S Goodsell; Arthur J Olson
Journal:  J Chem Inf Model       Date:  2012-10-08       Impact factor: 4.956
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