4mot: Difference between revisions

From Proteopedia
Jump to navigationJump to search
← Older edit
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,331,613 edits
No edit summary
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,331,613 edits
No edit summary
 
Line 4: Line 4:
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[4mot]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptococcus_pneumoniae_R6 Streptococcus pneumoniae R6]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MOT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4MOT FirstGlance]. <br>
<table><tr><td colspan='2'>[[4mot]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptococcus_pneumoniae_R6 Streptococcus pneumoniae R6]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MOT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4MOT FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2B7:1-[4-(3-METHYLBUTYL)-5-OXO-6-(PYRIDIN-3-YL)-4,5-DIHYDRO[1,3]THIAZOLO[5,4-B]PYRIDIN-2-YL]-3-PROP-2-EN-1-YLUREA'>2B7</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.75&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2B7:1-[4-(3-METHYLBUTYL)-5-OXO-6-(PYRIDIN-3-YL)-4,5-DIHYDRO[1,3]THIAZOLO[5,4-B]PYRIDIN-2-YL]-3-PROP-2-EN-1-YLUREA'>2B7</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4mot FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mot OCA], [https://pdbe.org/4mot PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4mot RCSB], [https://www.ebi.ac.uk/pdbsum/4mot PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4mot ProSAT]</span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4mot FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mot OCA], [https://pdbe.org/4mot PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4mot RCSB], [https://www.ebi.ac.uk/pdbsum/4mot PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4mot ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[https://www.uniprot.org/uniprot/Q8DQB5_STRR6 Q8DQB5_STRR6]  
[https://www.uniprot.org/uniprot/Q8DQB5_STRR6 Q8DQB5_STRR6]  
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Scaffold hopping from the thiazolopyridine ureas led to thiazolopyridone ureas with potent antitubercular activity acting through inhibition of DNA GyrB ATPase activity. Structural diversity was introduced, by extension of substituents from the thiazolopyridone N-4 position, to access hydrophobic interactions in the ribose pocket of the ATP binding region of GyrB. Further optimization of hydrogen bond interactions with arginines in site-2 of GyrB active site pocket led to potent inhibition of the enzyme (IC50 2nM) along with potent cellular activity (MIC=0.1muM) against Mycobacterium tuberculosis (Mtb). Efficacy was demonstrated in an acute mouse model of tuberculosis on oral administration.
Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy.,Kale RR, Kale MG, Waterson D, Raichurkar A, Hameed SP, Manjunatha MR, Kishore Reddy BK, Malolanarasimhan K, Shinde V, Koushik K, Jena LK, Menasinakai S, Humnabadkar V, Madhavapeddi P, Basavarajappa H, Sharma S, Nandishaiah R, Mahesh Kumar KN, Ganguly S, Ahuja V, Gaonkar S, Naveen Kumar CN, Ogg D, Boriack-Sjodin PA, Sambandamurthy VK, de Sousa SM, Ghorpade SR Bioorg Med Chem Lett. 2014 Feb 1;24(3):870-9. doi: 10.1016/j.bmcl.2013.12.080., Epub 2013 Dec 25. PMID:24405701<ref>PMID:24405701</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 4mot" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==
*[[Topoisomerase 3D structures|Topoisomerase 3D structures]]
*[[Topoisomerase 3D structures|Topoisomerase 3D structures]]
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>

Latest revision as of 12:28, 1 March 2024

Structure of Streptococcus pneumonia pare in complex with AZ13072886

4mot, resolution 1.75Å

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "https://proteopedia.org/index.php?title=4mot&oldid=4075369"