3buf

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[[Image:3buf.jpg|left|200px]]
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{{Seed}}
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[[Image:3buf.png|left|200px]]
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{{STRUCTURE_3buf| PDB=3buf | SCENE= }}
{{STRUCTURE_3buf| PDB=3buf | SCENE= }}
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'''BACE-1 complexed with compound 2'''
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===BACE-1 complexed with compound 2===
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==Overview==
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Fragment screening revealed that tyramine binds to the active site of the Alzheimer's disease drug target BACE-1. Hit expansion by selection of compounds from the Roche compound library identified tyramine derivatives with improved binding affinities as monitored by surface plasmon resonance. X-ray structures show that the amine of the tyramine fragment hydrogen-bonds to the catalytic water molecule. Structure-guided ligand design led to the synthesis of further low molecular weight compounds that are starting points for chemical leads.
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The line below this paragraph, {{ABSTRACT_PUBMED_18226904}}, adds the Publication Abstract to the page
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(as it appears on PubMed at http://www.pubmed.gov), where 18226904 is the PubMed ID number.
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{{ABSTRACT_PUBMED_18226904}}
==About this Structure==
==About this Structure==
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[[Category: Transmembrane]]
[[Category: Transmembrane]]
[[Category: Zymogen]]
[[Category: Zymogen]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 21:06:57 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 15:32:31 2008''

Revision as of 12:32, 29 July 2008

Image:3buf.png

Template:STRUCTURE 3buf

BACE-1 complexed with compound 2

Template:ABSTRACT PUBMED 18226904

About this Structure

3BUF is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Tyramine fragment binding to BACE-1., Kuglstatter A, Stahl M, Peters JU, Huber W, Stihle M, Schlatter D, Benz J, Ruf A, Roth D, Enderle T, Hennig M, Bioorg Med Chem Lett. 2008 Feb 15;18(4):1304-7. Epub 2008 Jan 11. PMID:18226904

Page seeded by OCA on Tue Jul 29 15:32:31 2008

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