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2y68

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[[Image:2y68.png|left|200px]]
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==STRUCTURE-BASED DESIGN OF A NEW SERIES OF D-GLUTAMIC ACID-BASED INHIBITORS OF BACTERIAL MURD LIGASE==
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<StructureSection load='2y68' size='340' side='right' caption='[[2y68]], [[Resolution|resolution]] 1.49&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2y68]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y68 OCA]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AZI:AZIDE+ION'>AZI</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=T04:2-[[2-FLUORO-5-[[[4-[(Z)-(4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL]AMINO]METHYL]PHENYL]CARBONYLAMINO]PENTANEDIOIC+ACID'>T04</scene><br>
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<tr><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=KCX:LYSINE+NZ-CARBOXYLIC+ACID'>KCX</scene></td></tr>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2uuo|2uuo]], [[2jfg|2jfg]], [[4uag|4uag]], [[2uag|2uag]], [[3uag|3uag]], [[1e0d|1e0d]], [[2x5o|2x5o]], [[1eeh|1eeh]], [[2jff|2jff]], [[2vte|2vte]], [[2wjp|2wjp]], [[2vtd|2vtd]], [[2y1o|2y1o]], [[1uag|1uag]], [[2jfh|2jfh]], [[2uup|2uup]], [[2y66|2y66]], [[2y67|2y67]]</td></tr>
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<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span></td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2y68 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y68 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2y68 RCSB], [http://www.ebi.ac.uk/pdbsum/2y68 PDBsum]</span></td></tr>
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<table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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MurD ligase is one of the key enzymes participating in the intracellular steps of peptidoglycan biosynthesis and constitutes a viable target in the search for novel antibacterial drugs to combat bacterial drug-resistance. We have designed, synthesized, and evaluated a new series of d-glutamic acid-based Escherichia coli MurD inhibitors incorporating the 5-benzylidenethiazolidin-4-one scaffold. The crystal structure of 16 in the MurD active site has provided a good starting point for the design of structurally optimized inhibitors 73-75 endowed with improved MurD inhibitory potency (IC(50) between 3 and 7 muM). Inhibitors 74 and 75 showed weak activity against Gram-positive Staphylococcus aureus and Enterococcus faecalis. Compounds 73-75, with IC(50) values in the low micromolar range, represent the most potent d-Glu-based MurD inhibitors reported to date.
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Structure-Based Design of a New Series of d-Glutamic Acid Based Inhibitors of Bacterial UDP-N-acetylmuramoyl-l-alanine:d-glutamate Ligase (MurD).,Tomasic T, Zidar N, Sink R, Kovac A, Blanot D, Contreras-Martel C, Dessen A, Muller-Premru M, Zega A, Gobec S, Kikelj D, Peterlin Masic L J Med Chem. 2011 Jun 3. PMID:21591605<ref>PMID:21591605</ref>
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The line below this paragraph, containing "STRUCTURE_2y68", creates the "Structure Box" on the page.
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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{{STRUCTURE_2y68| PDB=2y68 | SCENE= }}
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===STRUCTURE-BASED DESIGN OF A NEW SERIES OF D-GLUTAMIC ACID-BASED INHIBITORS OF BACTERIAL MURD LIGASE===
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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</div>
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== References ==
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<references/>
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The line below this paragraph, {{ABSTRACT_PUBMED_21591605}}, adds the Publication Abstract to the page
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__TOC__
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(as it appears on PubMed at http://www.pubmed.gov), where 21591605 is the PubMed ID number.
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</StructureSection>
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{{ABSTRACT_PUBMED_21591605}}
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==About this Structure==
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[[2y68]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y68 OCA].
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==Reference==
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<ref group="xtra">PMID:021591605</ref><references group="xtra"/>
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[[Category: Escherichia coli]]
[[Category: Escherichia coli]]
[[Category: UDP-N-acetylmuramoyl-L-alanine--D-glutamate ligase]]
[[Category: UDP-N-acetylmuramoyl-L-alanine--D-glutamate ligase]]

Revision as of 07:51, 14 May 2014

STRUCTURE-BASED DESIGN OF A NEW SERIES OF D-GLUTAMIC ACID-BASED INHIBITORS OF BACTERIAL MURD LIGASE

2y68, resolution 1.49Å

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