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4gee

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==Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.==
==Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.==
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<StructureSection load='4gee' size='340' side='right' caption='[[4gee]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
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<StructureSection load='4gee' size='340' side='right'caption='[[4gee]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4gee]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Entfa Entfa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GEE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GEE FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4gee]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Enterococcus_faecalis_V583 Enterococcus faecalis V583]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GEE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GEE FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0WT:(1R,5S,6S)-3-[5-CHLORO-6-ETHYL-2-(PYRIMIDIN-5-YLOXY)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]-3-AZABICYCLO[3.1.0]HEXAN-6-AMINE'>0WT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0WT:(1R,5S,6S)-3-[5-CHLORO-6-ETHYL-2-(PYRIMIDIN-5-YLOXY)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]-3-AZABICYCLO[3.1.0]HEXAN-6-AMINE'>0WT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4gfn|4gfn]], [[4ggl|4ggl]], [[4hxw|4hxw]], [[4hxz|4hxz]], [[4hy1|4hy1]], [[4hym|4hym]], [[4hyp|4hyp]], [[4hz0|4hz0]], [[4hz5|4hz5]]</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=4gee FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gee OCA], [https://pdbe.org/4gee PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4gee RCSB], [https://www.ebi.ac.uk/pdbsum/4gee PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4gee ProSAT]</span></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">gyrB, EF_0005 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=226185 ENTFA])</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/DNA_topoisomerase_(ATP-hydrolyzing) DNA topoisomerase (ATP-hydrolyzing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.99.1.3 5.99.1.3] </span></td></tr>
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<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=4gee FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gee OCA], [http://pdbe.org/4gee PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4gee RCSB], [http://www.ebi.ac.uk/pdbsum/4gee PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4gee ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/Q839Z1_ENTFA Q839Z1_ENTFA]] 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).[HAMAP-Rule:MF_01898]
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[https://www.uniprot.org/uniprot/GYRB_ENTFA GYRB_ENTFA]
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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==See Also==
==See Also==
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*[[Gyrase|Gyrase]]
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*[[Gyrase 3D Structures|Gyrase 3D Structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Entfa]]
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[[Category: Enterococcus faecalis V583]]
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[[Category: Bensen, D C]]
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[[Category: Large Structures]]
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[[Category: Chen, Z]]
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[[Category: Bensen DC]]
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[[Category: Tari, L W]]
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[[Category: Chen Z]]
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[[Category: Atp-binding]]
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[[Category: Tari LW]]
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[[Category: Atp-binding domain]]
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[[Category: 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 ring]]
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[[Category: Isomerase-isomerase inhibitor complex]]
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[[Category: Nucleotide-binding]]
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[[Category: Topoisomerase]]
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Revision as of 06:52, 26 October 2022

Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.

PDB ID 4gee

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