5iwi
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 5iwi is ON HOLD Authors: Bax, B.D., Miles, T.J. Description: 1.98A structure of GSK945237 with S.aureus DNA gyrase and singly nicked DNA [[Category...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==1.98A structure of GSK945237 with S.aureus DNA gyrase and singly nicked DNA== | |
| + | <StructureSection load='5iwi' size='340' side='right'caption='[[5iwi]], [[Resolution|resolution]] 1.98Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[5iwi]] is a 7 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus], [https://en.wikipedia.org/wiki/Staphylococcus_aureus_subsp._aureus_N315 Staphylococcus aureus subsp. aureus N315] and [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5IWI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5IWI 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]] 1.98Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6EJ:(1R)-1-[(4-{[(6,7-DIHYDRO[1,4]DIOXINO[2,3-C]PYRIDAZIN-3-YL)METHYL]AMINO}PIPERIDIN-1-YL)METHYL]-9-FLUORO-1,2-DIHYDRO-4H-PYRROLO[3,2,1-IJ]QUINOLIN-4-ONE'>6EJ</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</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=5iwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5iwi OCA], [https://pdbe.org/5iwi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5iwi RCSB], [https://www.ebi.ac.uk/pdbsum/5iwi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5iwi ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/GYRB_STAAN GYRB_STAAN] DNA gyrase negatively supercoils closed circular double-stranded DNA in an ATP-dependent manner and also catalyzes the interconversion of other topological isomers of double-stranded DNA rings, including catenanes and knotted rings (By similarity). | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | During the course of our research on the lead optimisation of the NBTI (Novel Bacterial Type II Topoisomerase Inhibitors) class of antibacterials, we discovered a series of tricyclic compounds that showed good Gram-positive and Gram-negative potency. Herein we will discuss the various subunits that were investigated in this series and report advanced studies on compound 1 (GSK945237) which demonstrates good PK and in vivo efficacy properties. | ||
| - | + | Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases.,Miles TJ, Hennessy AJ, Bax B, Brooks G, Brown BS, Brown P, Cailleau N, Chen D, Dabbs S, Davies DT, Esken JM, Giordano I, Hoover JL, Jones GE, Kusalakumari Sukmar SK, Markwell RE, Minthorn EA, Rittenhouse S, Gwynn MN, Pearson ND Bioorg Med Chem Lett. 2016 Mar 31. pii: S0960-894X(16)30338-9. doi:, 10.1016/j.bmcl.2016.03.106. PMID:27055939<ref>PMID:27055939</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 5iwi" style="background-color:#fffaf0;"></div> |
| - | [[Category: Bax | + | |
| + | ==See Also== | ||
| + | *[[Gyrase 3D Structures|Gyrase 3D Structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Staphylococcus aureus]] | ||
| + | [[Category: Staphylococcus aureus subsp. aureus N315]] | ||
| + | [[Category: Synthetic construct]] | ||
| + | [[Category: Bax BD]] | ||
| + | [[Category: Miles TJ]] | ||
Current revision
1.98A structure of GSK945237 with S.aureus DNA gyrase and singly nicked DNA
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