4u8c
From Proteopedia
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| - | ''' | + | ==Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1409== |
| + | <StructureSection load='4u8c' size='340' side='right' caption='[[4u8c]], [[Resolution|resolution]] 1.24Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4u8c]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4U8C OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4U8C FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3F6:2,2-BENZENE-1,4-DIYLBIS[6-(1,4,5,6-TETRAHYDROPYRIMIDIN-2-YL)-1H-INDOLE]'>3F6</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4u8a|4u8a]], [[4u8b|4u8b]]</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=4u8c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u8c OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4u8c RCSB], [http://www.ebi.ac.uk/pdbsum/4u8c PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | We report the results of an investigation of the activity of a series of amidine and bisamidine compounds against Staphylococcus aureus and Escherichia coli. The most active compounds bound to an AT-rich DNA dodecamer (CGCGAATTCGCG)2 and using DSC were found to increase the melting transition by up to 24 degrees C. Several compounds also inhibited undecaprenyl diphosphate synthase (UPPS) with IC50 values of 100-500 nM, and we found good correlations (R2 = 0.89, S. aureus; R2 = 0.79, E. coli) between experimental and predicted cell growth inhibition by using DNA DeltaTm and UPPS IC50 experimental results together with one computed descriptor. We also solved the structures of three bisamidines binding to DNA as well as three UPPS structures. Overall, the results are of general interest in the context of the development of resistance-resistant antibiotics that involve multitargeting. | ||
| - | + | Antibacterial Drug Leads: DNA and Enzyme Multitargeting.,Zhu W, Wang Y, Li K, Gao J, Huang CH, Chen CC, Ko TP, Zhang Y, Guo RT, Oldfield E J Med Chem. 2015 Jan 22. PMID:25574764<ref>PMID:25574764</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | == References == | |
| - | + | <references/> | |
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Oldfield, E]] | [[Category: Oldfield, E]] | ||
[[Category: Zhu, W]] | [[Category: Zhu, W]] | ||
| + | [[Category: Antibacterial agent]] | ||
| + | [[Category: Bisamidine]] | ||
| + | [[Category: Minor groove binder]] | ||
| + | [[Category: Model]] | ||
| + | [[Category: Molecular]] | ||
| + | [[Category: Nucleic acid conformation]] | ||
| + | [[Category: Oligodeoxyribonucleotide]] | ||
Revision as of 15:40, 7 February 2015
Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1409
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