5d7r: Difference between revisions

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-'''Unreleased structure'''
+==Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand==
+<StructureSection load='5d7r' size='340' side='right' caption='[[5d7r]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[5d7r]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5D7R OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5D7R FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=57Y:3-HYDROXY-5-[5-(6-HYDROXY-7-PROPYL-2H-INDAZOL-3-YL)-1,3-THIAZOL-2-YL]PYRIDINE-2-CARBOXYLIC+ACID'>57Y</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene></td></tr>
+<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5cph|5cph]], [[5ctu|5ctu]], [[5ctw|5ctw]], [[5ctx|5ctx]], [[5cty|5cty]], [[5d6p|5d6p]], [[5d6q|5d6q]], [[5d7c|5d7c]], [[5d7d|5d7d]]</td></tr>
+<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>
+<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=5d7r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5d7r OCA], [http://pdbe.org/5d7r PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5d7r RCSB], [http://www.ebi.ac.uk/pdbsum/5d7r PDBsum]</span></td></tr>
+</table>
+== Function ==
+[[http://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;">
+== Publication Abstract from PubMed ==
+Antibacterials with a novel mechanism of action offer a great opportunity to combat widespread antimicrobial resistance. Bacterial DNA Gyrase is a clinically validated target. Through physiochemical property optimization of a pyrazolopyridone hit, a novel class of GyrB inhibitors were discovered. Guided by structure-based drug design, indazole derivatives with excellent enzymatic and antibacterial activity as well as great animal efficacy were discovered.
-The entry 5d7r is ON HOLD  until Paper Publication
+Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.,Zhang J, Yang Q, Romero JA, Cross J, Wang B, Poutsiaka KM, Epie F, Bevan D, Wu Y, Moy T, Daniel A, Chamberlain B, Carter N, Shotwell J, Arya A, Kumar V, Silverman J, Nguyen K, Metcalf CA 3rd, Ryan D, Lippa B, Dolle RE ACS Med Chem Lett. 2015 Sep 8;6(10):1080-5. doi: 10.1021/acsmedchemlett.5b00266. , eCollection 2015 Oct 8. PMID:26487916<ref>PMID:26487916</ref>
-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.
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-Description: Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
+<div class="pdbe-citations 5d7r" style="background-color:#fffaf0;"></div>
-[[Category: Unreleased Structures]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Andersen, O A]]
+[[Category: Barker, J]]
+[[Category: Cheng, R K]]
+[[Category: Cross, J B]]
+[[Category: Dolle, R E]]
 [[Category: Felicetti, B]]
-[[Category: Andersen, O.A]]
 [[Category: Kahmann, J]]
-[[Category: Romero, J.A.C]]
+[[Category: Lippa, B]]
-[[Category: Cross, J.B]]
+[[Category: Romero, J A.C]]
-[[Category: Cheng, R.K]]
+[[Category: Ryan, M D]]
+[[Category: Scheich, C]]
 [[Category: Wood, M]]
+[[Category: Yang, Q]]
 [[Category: Zhang, J]]
-[[Category: Yang, Q]]
+[[Category: Dna gyrase]]
-[[Category: Scheich, C]]
+[[Category: Gyrb]]
-[[Category: Dolle, R.E]]
+[[Category: Isomerase-isomerase inhibitor complex]]
-[[Category: Barker, J]]
+[[Category: Ligand]]
-[[Category: Lippa, B]]
+[[Category: Structure-based design]]
-[[Category: Ryan, M.D]]