5icj: Difference between revisions

Line 1:

~~'''Unreleased structure'''~~

~~The entry~~ 5icj is ~~ON HOLD until Paper~~ Publication

==Crystal structure of the Mycobacterium tuberculosis transcriptional repressor EthR2 in complex with BDM41420==

== Structural highlights ==

<table><tr><td colspan='2'>[[5icj]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ICJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ICJ FirstGlance]. <br>

</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=69Y:4,4,4-TRIFLUORO-1-(3-PHENYL-1-OXA-2,8-DIAZASPIRO[4.5]DEC-2-EN-8-YL)BUTAN-1-ONE'>69Y</scene></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=5icj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5icj OCA], [http://pdbe.org/5icj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5icj RCSB], [http://www.ebi.ac.uk/pdbsum/5icj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5icj ProSAT]</span></td></tr>

</table>

== Publication Abstract from PubMed ==

Antibiotic resistance is one of the biggest threats to human health globally. Alarmingly, multidrug-resistant and extensively drug-resistant Mycobacterium tuberculosis have now spread worldwide. Some key antituberculosis antibiotics are prodrugs, for which resistance mechanisms are mainly driven by mutations in the bacterial enzymatic pathway required for their bioactivation. We have developed drug-like molecules that activate a cryptic alternative bioactivation pathway of ethionamide in M. tuberculosis, circumventing the classic activation pathway in which resistance mutations have now been observed. The first-of-its-kind molecule, named SMARt-420 (Small Molecule Aborting Resistance), not only fully reverses ethionamide-acquired resistance and clears ethionamide-resistant infection in mice, it also increases the basal sensitivity of bacteria to ethionamide.

~~Authors:~~ Wohlkonig, A., ~~Remaut~~, H., ~~Tanina~~, A., ~~Meyer~~, F., Willand, N., Baulard~~, A~~.R., ~~Wintjens, R~~.

Reversion of antibiotic resistance in Mycobacterium tuberculosis by spiroisoxazoline SMARt-420.,Blondiaux N, Moune M, Desroses M, Frita R, Flipo M, Mathys V, Soetaert K, Kiass M, Delorme V, Djaout K, Trebosc V, Kemmer C, Wintjens R, Wohlkonig A, Antoine R, Huot L, Hot D, Coscolla M, Feldmann J, Gagneux S, Locht C, Brodin P, Gitzinger M, Deprez B, Willand N, Baulard AR Science. 2017 Mar 17;355(6330):1206-1211. doi: 10.1126/science.aag1006. Epub 2017, Mar 16. PMID:28302858<ref>PMID:28302858</ref>

~~Description: Crystal structure~~ of the ~~Mycobacterium tuberculosis transcriptional repressor EthR2 in complex with BDM41420~~

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>

[[Category: ~~Unreleased Structures~~]]

</div>

[[Category: ~~Baulard~~, A.R]]

== References ==

__TOC__

</StructureSection>

[[Category: Baulard, A R]]

[[Category: Meyer, F]]

[[Category: Remaut, H]]

[[Category: Tanina, A]]

[[Category: Willand, N]]

[[Category: Wintjens, R]]

~~[[Category: Remaut, H]]~~

[[Category: Wohlkonig, A]]

[[Category: ~~Meyer, F~~]]

[[Category: Helix-turn-helix dna binding protein]]

[[Category: ~~Tanina, A~~]]

[[Category: Inhibitor]]

[[Category: Regulatory repressor]]

[[Category: Tetr family]]

[[Category: Transcription]]

[[Category: Transcription repressor-inhibitor complex]]

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@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
-The entry 5icj is ON HOLD  until Paper Publication
+==Crystal structure of the Mycobacterium tuberculosis transcriptional repressor EthR2 in complex with BDM41420==
+<StructureSection load='5icj' size='340' side='right' caption='[[5icj]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[5icj]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ICJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ICJ FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=69Y:4,4,4-TRIFLUORO-1-(3-PHENYL-1-OXA-2,8-DIAZASPIRO[4.5]DEC-2-EN-8-YL)BUTAN-1-ONE'>69Y</scene></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=5icj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5icj OCA], [http://pdbe.org/5icj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5icj RCSB], [http://www.ebi.ac.uk/pdbsum/5icj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5icj ProSAT]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Antibiotic resistance is one of the biggest threats to human health globally. Alarmingly, multidrug-resistant and extensively drug-resistant Mycobacterium tuberculosis have now spread worldwide. Some key antituberculosis antibiotics are prodrugs, for which resistance mechanisms are mainly driven by mutations in the bacterial enzymatic pathway required for their bioactivation. We have developed drug-like molecules that activate a cryptic alternative bioactivation pathway of ethionamide in M. tuberculosis, circumventing the classic activation pathway in which resistance mutations have now been observed. The first-of-its-kind molecule, named SMARt-420 (Small Molecule Aborting Resistance), not only fully reverses ethionamide-acquired resistance and clears ethionamide-resistant infection in mice, it also increases the basal sensitivity of bacteria to ethionamide.
-Authors: Wohlkonig, A., Remaut, H., Tanina, A., Meyer, F., Willand, N., Baulard, A.R., Wintjens, R.
+Reversion of antibiotic resistance in Mycobacterium tuberculosis by spiroisoxazoline SMARt-420.,Blondiaux N, Moune M, Desroses M, Frita R, Flipo M, Mathys V, Soetaert K, Kiass M, Delorme V, Djaout K, Trebosc V, Kemmer C, Wintjens R, Wohlkonig A, Antoine R, Huot L, Hot D, Coscolla M, Feldmann J, Gagneux S, Locht C, Brodin P, Gitzinger M, Deprez B, Willand N, Baulard AR Science. 2017 Mar 17;355(6330):1206-1211. doi: 10.1126/science.aag1006. Epub 2017, Mar 16. PMID:28302858<ref>PMID:28302858</ref>
-Description: Crystal structure of the Mycobacterium tuberculosis transcriptional repressor EthR2 in complex with BDM41420
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Baulard, A.R]]
+<div class="pdbe-citations 5icj" style="background-color:#fffaf0;"></div>
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Baulard, A R]]
+[[Category: Meyer, F]]
+[[Category: Remaut, H]]
+[[Category: Tanina, A]]
 [[Category: Willand, N]]
 [[Category: Wintjens, R]]
-[[Category: Remaut, H]]
 [[Category: Wohlkonig, A]]
-[[Category: Meyer, F]]
+[[Category: Helix-turn-helix dna binding protein]]
-[[Category: Tanina, A]]
+[[Category: Inhibitor]]
+[[Category: Regulatory repressor]]
+[[Category: Tetr family]]
+[[Category: Transcription]]
+[[Category: Transcription repressor-inhibitor complex]]