2v00

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[[Image:2v00.jpg|left|200px]]
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{{Seed}}
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{{STRUCTURE_2v00| PDB=2v00 | SCENE= }}
{{STRUCTURE_2v00| PDB=2v00 | SCENE= }}
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'''X-RAY CRYSTAL STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH COMPOUND 1'''
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===X-RAY CRYSTAL STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH COMPOUND 1===
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==Overview==
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Fragment-based lead generation was applied to find novel small-molecule inhibitors of beta-secretase (BACE-1), a key target for the treatment of Alzheimer's disease. Fragment hits coming from a 1D NMR screen were characterized by BIAcore, and the most promising compounds were soaked into protein crystals to help the rational design of more potent hit analogues. Problems arising due to our inability to grow BACE-1 crystals at the biologically relevant pH at which the screen was run were overcome by using endothiapepsin as a surrogate aspartyl protease. Among others, we identified 6-substituted isocytosines as a novel warhead against BACE-1, and the accompanying paper in this journal describes how these were optimized to a lead series of nanomolar inhibitors.1.
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(as it appears on PubMed at http://www.pubmed.gov), where 17985861 is the PubMed ID number.
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{{ABSTRACT_PUBMED_17985861}}
==About this Structure==
==About this Structure==
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[[Category: Surrogate protein]]
[[Category: Surrogate protein]]
[[Category: Zymogen]]
[[Category: Zymogen]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 17:55:47 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 05:40:17 2008''

Revision as of 02:40, 28 July 2008

Image:2v00.png

Template:STRUCTURE 2v00

X-RAY CRYSTAL STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH COMPOUND 1

Template:ABSTRACT PUBMED 17985861

About this Structure

2V00 is a Single protein structure of sequence from Cryphonectria parasitica. Full crystallographic information is available from OCA.

Reference

Discovery of a novel warhead against beta-secretase through fragment-based lead generation., Geschwindner S, Olsson LL, Albert JS, Deinum J, Edwards PD, de Beer T, Folmer RH, J Med Chem. 2007 Nov 29;50(24):5903-11. Epub 2007 Nov 7. PMID:17985861

Page seeded by OCA on Mon Jul 28 05:40:17 2008

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