2rcx

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[[Image:2rcx.gif|left|200px]]
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{{Seed}}
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{{STRUCTURE_2rcx| PDB=2rcx | SCENE= }}
{{STRUCTURE_2rcx| PDB=2rcx | SCENE= }}
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'''AmpC Beta-lactamase in complex with (1R)-1-(2-Thiophen-2-yl-acetylamino)-1-(3-(2-carboxyvinyl)-phenyl) methylboronic acid'''
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===AmpC Beta-lactamase in complex with (1R)-1-(2-Thiophen-2-yl-acetylamino)-1-(3-(2-carboxyvinyl)-phenyl) methylboronic acid===
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==Overview==
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Boronic acids have proved to be promising selective inhibitors of beta-lactamases, acting as transition state analogues. Starting from a previously described nanomolar inhibitor of AmpC beta-lactamase, three new inhibitors were designed to gain interactions with highly conserved residues, such as Asn343, and to bind more tightly to the enzyme. Among these, one was obtained by stereoselective synthesis and succeeded in placing its anionic group into the carboxylate binding site of the enzyme, as revealed by X-ray crystallography of the complex inhibitor/AmpC. Nevertheless, it failed at improving affinity, when compared to the lead from which it was derived. The origins of this structural and energetic discrepancy are discussed.
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(as it appears on PubMed at http://www.pubmed.gov), where 17997318 is the PubMed ID number.
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{{ABSTRACT_PUBMED_17997318}}
==About this Structure==
==About this Structure==
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[[Category: Periplasm]]
[[Category: Periplasm]]
[[Category: Serine hydrolase]]
[[Category: Serine hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 16:39:30 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 16:11:55 2008''

Revision as of 13:11, 28 July 2008

Image:2rcx.png

Template:STRUCTURE 2rcx

AmpC Beta-lactamase in complex with (1R)-1-(2-Thiophen-2-yl-acetylamino)-1-(3-(2-carboxyvinyl)-phenyl) methylboronic acid

Template:ABSTRACT PUBMED 17997318

About this Structure

2RCX is a Single protein structure of sequence from Escherichia coli. Full crystallographic information is available from OCA.

Reference

Structure-based optimization of cephalothin-analogue boronic acids as beta-lactamase inhibitors., Morandi S, Morandi F, Caselli E, Shoichet BK, Prati F, Bioorg Med Chem. 2007 Nov 6;. PMID:17997318

Page seeded by OCA on Mon Jul 28 16:11:55 2008

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