5j1y
From Proteopedia
(Difference between revisions)
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<StructureSection load='5j1y' size='340' side='right' caption='[[5j1y]], [[Resolution|resolution]] 1.81Å' scene=''> | <StructureSection load='5j1y' size='340' side='right' caption='[[5j1y]], [[Resolution|resolution]] 1.81Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[5j1y]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5J1Y OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5J1Y FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[5j1y]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5J1Y OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5J1Y FirstGlance]. <br> |
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=P87:3-[(3S)-OXOLAN-3-YL]-1-(PYRROLIDIN-1-YL)PROPAN-1-ONE'>P87</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=P87:3-[(3S)-OXOLAN-3-YL]-1-(PYRROLIDIN-1-YL)PROPAN-1-ONE'>P87</scene></td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">ethR_2, ethR, ethR_1, AFL40_4013, BN1213_00375, BN1303_02839, ERS007657_00006, ERS007665_03402, ERS007670_00101, ERS007672_00126, ERS007679_01009, ERS007681_01169, ERS007688_00760, ERS007703_00420, ERS007722_01164, ERS007741_02569, ERS013447_02283, ERS013471_02551, ERS023446_02032, ERS024213_01441, ERS024276_01130, ERS027644_00684, ERS027646_02322, ERS027654_00374, ERS027656_00876, ERS031537_01716, ERS075357_02728, ERS075361_00362, ERS075387_01097, ERS124361_02860, IQ38_20160, IQ40_19545, IQ45_19480, IQ47_19420, IU13_19735, IU16_19625 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</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=5j1y FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j1y OCA], [http://pdbe.org/5j1y PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5j1y RCSB], [http://www.ebi.ac.uk/pdbsum/5j1y PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5j1y ProSAT]</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=5j1y FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j1y OCA], [http://pdbe.org/5j1y PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5j1y RCSB], [http://www.ebi.ac.uk/pdbsum/5j1y PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5j1y ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Small molecule inhibitors of the mycobacterial transcriptional repressor EthR have previously been shown to act as boosters of the second-line antituberculosis drug ethionamide. Fragment-based drug discovery approaches have been used in the past to make highly potent EthR inhibitors with ethionamide boosting activity both in vitro and ex vivo. Herein, we report the development of fragment-sized EthR ligands with nanomolar minimum effective concentration (MEC) values for the boosting of ethionamide activity in M. tuberculosis whole cell assays. | ||
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| + | Fragment-sized EthR inhibitors exhibit exceptionally strong ethionamide boosting effect in whole cell Mycobacterium tuberculosis assays.,Nikiforov PO, Blaszczyk M, Surade S, Boshoff HI, Sajid A, Delorme V, Deboosere N, Brodin P, Baulard AR, Barry Rd CE, Blundell TL, Abell C ACS Chem Biol. 2017 Mar 17. doi: 10.1021/acschembio.7b00091. PMID:28314097<ref>PMID:28314097</ref> | ||
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| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 5j1y" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
Revision as of 07:36, 6 December 2017
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with 1-(pyrrolidin-1-yl)-3-(tetrahydrofuran-3-yl)propan-1-one at 1.81A resolution
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