7ti0
From Proteopedia
(Difference between revisions)
| (2 intermediate revisions not shown.) | |||
| Line 1: | Line 1: | ||
| - | '''Unreleased structure''' | ||
| - | + | ==Structure of CTX-M-15 bound to RPX-7063 at 1.5A== | |
| + | <StructureSection load='7ti0' size='340' side='right'caption='[[7ti0]], [[Resolution|resolution]] 1.50Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7TI0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TI0 FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.5Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZXQ:{(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic+acid'>ZXQ</scene></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=7ti0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ti0 OCA], [https://pdbe.org/7ti0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ti0 RCSB], [https://www.ebi.ac.uk/pdbsum/7ti0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ti0 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Early efforts to broaden the spectrum and potency of cyclic boronic acid beta-lactamase inhibitor vaborbactam included a series of 7-membered ring boronates. Exploration of stereoisomers and incorporation of heteroatoms allowed identification of the all-carbon cyclic boronate with substituents trans as the preferred core structure, showing inhibition of Class A and C enzymes. Crystal structures of one analog bound to important beta-lactamase enzymes were obtained. When isolated under acidic conditions, these compounds spontaneously formed a neutral cyclic anhydride (intramolecular prodrug) which was shown to have much-improved oral bioavailability (52-69%) compared to the ring-opened carboxylate salt (9%). | ||
| - | + | Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability.,Raja Reddy K, Totrov M, Lomovskaya O, Griffith DC, Tarazi Z, Clifton MC, Hecker SJ Bioorg Med Chem. 2022 May 15;62:116722. doi: 10.1016/j.bmc.2022.116722. Epub 2022, Mar 23. PMID:35358864<ref>PMID:35358864</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: Abendroth | + | <div class="pdbe-citations 7ti0" style="background-color:#fffaf0;"></div> |
| - | [[Category: Clifton | + | |
| - | [[Category: Edwards | + | ==See Also== |
| - | [[Category: Hecker | + | *[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]] |
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Abendroth J]] | ||
| + | [[Category: Clifton MC]] | ||
| + | [[Category: Edwards TE]] | ||
| + | [[Category: Hecker SJ]] | ||
Current revision
Structure of CTX-M-15 bound to RPX-7063 at 1.5A
| |||||||||||
