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2ohp

From Proteopedia

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{{STRUCTURE_2ohp| PDB=2ohp | SCENE= }}
{{STRUCTURE_2ohp| PDB=2ohp | SCENE= }}
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'''X-ray crystal structure of beta secretase complexed with compound 3'''
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===X-ray crystal structure of beta secretase complexed with compound 3===
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==Overview==
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Fragment-based lead discovery has been successfully applied to the aspartyl protease enzyme beta-secretase (BACE-1). Fragment hits that contained an aminopyridine motif binding to the two catalytic aspartic acid residues in the active site of the enzyme were the chemical starting points. Structure-based design approaches have led to identification of low micromolar lead compounds that retain these interactions and additionally occupy adjacent hydrophobic pockets of the active site. These leads form two subseries, for which compounds 4 (IC50 = 25 microM) and 6c (IC50 = 24 microM) are representative. In the latter series, further optimization has led to 8a (IC50 = 690 nM).
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(as it appears on PubMed at http://www.pubmed.gov), where 17315857 is the PubMed ID number.
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{{ABSTRACT_PUBMED_17315857}}
==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 10:56:42 2008''
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Revision as of 06:15, 29 July 2008

Image:2ohp.png

Template:STRUCTURE 2ohp

X-ray crystal structure of beta secretase complexed with compound 3

Template:ABSTRACT PUBMED 17315857

About this Structure

2OHP is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase., Congreve M, Aharony D, Albert J, Callaghan O, Campbell J, Carr RA, Chessari G, Cowan S, Edwards PD, Frederickson M, McMenamin R, Murray CW, Patel S, Wallis N, J Med Chem. 2007 Mar 22;50(6):1124-32. Epub 2007 Feb 22. PMID:17315857

Page seeded by OCA on Tue Jul 29 09:15:19 2008

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