5d7c

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'''Unreleased structure'''
 
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The entry 5d7c is ON HOLD until Paper Publication
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==Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand==
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<StructureSection load='5d7c' size='340' side='right'caption='[[5d7c]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[5d7c]] 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=5D7C OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5D7C FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.55&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=57W:1-ETHYL-3-[1-(PYRIDIN-2-YL)-6-(PYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-3-YL]UREA'>57W</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5d7c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5d7c OCA], [https://pdbe.org/5d7c PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5d7c RCSB], [https://www.ebi.ac.uk/pdbsum/5d7c PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5d7c ProSAT]</span></td></tr>
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</table>
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== Function ==
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[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]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The 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.
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Authors: Zhang, J., Yang, Q., Cross, J.B., Romero, J.A.C., Ryan, M.D., Lippa, B., Dolle, R.E., Andersen, O.A., Barker, J., Cheng, R.K., Kahmann, J., Felicetti, B., Wood, M., Scheich, C.
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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<ref>PMID:26460684</ref>
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Description: Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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[[Category: Felicetti, B]]
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<div class="pdbe-citations 5d7c" style="background-color:#fffaf0;"></div>
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[[Category: Andersen, O.A]]
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[[Category: Kahmann, J]]
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==See Also==
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[[Category: Romero, J.A.C]]
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*[[Gyrase 3D Structures|Gyrase 3D Structures]]
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[[Category: Cross, J.B]]
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== References ==
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[[Category: Cheng, R.K]]
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<references/>
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[[Category: Wood, M]]
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__TOC__
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[[Category: Zhang, J]]
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</StructureSection>
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[[Category: Yang, Q]]
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[[Category: Large Structures]]
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[[Category: Scheich, C]]
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[[Category: Staphylococcus aureus]]
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[[Category: Dolle, R.E]]
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[[Category: Andersen OA]]
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[[Category: Barker, J]]
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[[Category: Barker J]]
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[[Category: Lippa, B]]
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[[Category: Cheng RK]]
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[[Category: Ryan, M.D]]
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[[Category: Cross JB]]
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[[Category: Dolle RE]]
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[[Category: Felicetti B]]
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[[Category: Kahmann J]]
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[[Category: Lippa B]]
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[[Category: Romero JAC]]
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[[Category: Ryan MD]]
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[[Category: Scheich C]]
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[[Category: Wood M]]
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[[Category: Yang Q]]
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[[Category: Zhang J]]

Current revision

Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand

PDB ID 5d7c

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