5d6p: Difference between revisions
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<StructureSection load='5d6p' size='340' side='right'caption='[[5d6p]], [[Resolution|resolution]] 2.05Å' scene=''> | <StructureSection load='5d6p' size='340' side='right'caption='[[5d6p]], [[Resolution|resolution]] 2.05Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[5d6p]] is a 2 chain structure with sequence from [ | <table><tr><td colspan='2'>[[5d6p]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5D6P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5D6P FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=57U:1-ETHYL-3-[4-(HYDROXYMETHYL)-5-(1H-PYRROL-2-YL)-1,3-THIAZOL-2-YL]UREA'>57U</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=57U:1-ETHYL-3-[4-(HYDROXYMETHYL)-5-(1H-PYRROL-2-YL)-1,3-THIAZOL-2-YL]UREA'>57U</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</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=5d6p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5d6p OCA], [https://pdbe.org/5d6p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5d6p RCSB], [https://www.ebi.ac.uk/pdbsum/5d6p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5d6p ProSAT]</span></td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | |||
</table> | </table> | ||
== Function == | == Function == | ||
[ | [https://www.uniprot.org/uniprot/GYRB_STAAU GYRB_STAAU] 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.[HAMAP-Rule:MF_01898] | ||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
| Line 29: | Line 26: | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Andersen | [[Category: Staphylococcus aureus]] | ||
[[Category: Barker | [[Category: Andersen OA]] | ||
[[Category: Cheng | [[Category: Barker J]] | ||
[[Category: Cross | [[Category: Cheng RK]] | ||
[[Category: Dolle | [[Category: Cross JB]] | ||
[[Category: Felicetti | [[Category: Dolle RE]] | ||
[[Category: Kahmann | [[Category: Felicetti B]] | ||
[[Category: Lippa | [[Category: Kahmann J]] | ||
[[Category: Romero | [[Category: Lippa B]] | ||
[[Category: Ryan | [[Category: Romero JAC]] | ||
[[Category: Scheich | [[Category: Ryan MD]] | ||
[[Category: Wood | [[Category: Scheich C]] | ||
[[Category: Yang | [[Category: Wood M]] | ||
[[Category: Zhang | [[Category: Yang Q]] | ||
[[Category: Zhang J]] | |||
Revision as of 13:23, 21 June 2023
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligandCrystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Structural highlights
FunctionGYRB_STAAU 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.[HAMAP-Rule:MF_01898] Publication Abstract from PubMedThe emergence and spread of multidrug resistant bacteria are widely believed to endanger human health. New drug targets and lead compounds exempt from cross-resistance with existing drugs are urgently needed. We report on the discovery of azaindole ureas as a novel class of bacterial gyrase B inhibitors and detail the story of their evolution from a de novo design hit based on structure-based drug design. These inhibitors show potent minimum inhibitory concentrations against fluoroquinolone resistant MRSA and other Gram-positive bacteria. Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.,Zhang J, Yang Q, Cross JB, Romero JA, Poutsiaka KM, Epie F, Bevan D, Wang B, Zhang Y, Chavan A, Zhang X, Moy T, Daniel A, Nguyen K, Chamberlain B, Carter N, Shotwell J, Silverman J, Metcalf CA 3rd, Ryan D, Lippa B, Dolle RE J Med Chem. 2015 Nov 12;58(21):8503-12. doi: 10.1021/acs.jmedchem.5b00961. Epub, 2015 Oct 22. PMID:26460684[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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