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6ur3
From Proteopedia
(Difference between revisions)
(New page: ==Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors== <StructureSection load='6ur3' size='340' side='right'caption='6ur3, resolution 1.42Å...) |
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<StructureSection load='6ur3' size='340' side='right'caption='[[6ur3]], [[Resolution|resolution]] 1.42Å' scene=''> | <StructureSection load='6ur3' size='340' side='right'caption='[[6ur3]], [[Resolution|resolution]] 1.42Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[6ur3]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6UR3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6UR3 FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[6ur3]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_aeruginosus"_(schroeter_1872)_trevisan_1885 "bacillus aeruginosus" (schroeter 1872) trevisan 1885]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6UR3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6UR3 FirstGlance]. <br> |
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=QFP:2-hydroxyethyl+hydrogen+phenylboronate'>QFP</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=QFP:2-hydroxyethyl+hydrogen+phenylboronate'>QFP</scene></td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">ampC, RW109_RW109_01564 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=287 "Bacillus aeruginosus" (Schroeter 1872) Trevisan 1885])</td></tr> | ||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </span></td></tr> | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </span></td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6ur3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ur3 OCA], [http://pdbe.org/6ur3 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ur3 RCSB], [http://www.ebi.ac.uk/pdbsum/6ur3 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ur3 ProSAT]</span></td></tr> | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6ur3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ur3 OCA], [http://pdbe.org/6ur3 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ur3 RCSB], [http://www.ebi.ac.uk/pdbsum/6ur3 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ur3 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | High throughput screening for beta-lactamase inhibitors afforded biphenyl hits such as 1. Hit confirmation and X-ray soaking experiments with Pseudomonas Aeruginosa AmpC enzyme led to the identification of an aryl boronic acid-serine complex 4, which was formed from phenyl boronic acid 8 (an impurity in compound 1) and ethylene glycol (the cryoprotectant in the soaking experiment). | ||
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| + | Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.,Yang SW, Pan J, Root Y, Scapin G, Xiao L, Su J Bioorg Med Chem Lett. 2019 Nov 9:126795. doi: 10.1016/j.bmcl.2019.126795. PMID:31759850<ref>PMID:31759850</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 6ur3" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
Current revision
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
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