2b3e: Difference between revisions
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[[ | ==Crystal structure of DB819-D(CGCGAATTCGCG)2 complex.== | ||
<StructureSection load='2b3e' size='340' side='right' caption='[[2b3e]], [[Resolution|resolution]] 1.36Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[2b3e]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2B3E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2B3E FirstGlance]. <br> | |||
</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DBN:6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE'>DBN</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene><br> | |||
<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2dbe|2dbe]], [[1vzk|1vzk]], [[2b0k|2b0k]], [[2b2b|2b2b]]</td></tr> | |||
<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=2b3e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2b3e OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2b3e RCSB], [http://www.ebi.ac.uk/pdbsum/2b3e PDBsum]</span></td></tr> | |||
<table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The crystal structure of the DNA minor groove biphenyl benzimidazole diamidine ligand DB819 has been determined, bound to the DNA sequence d(CGCGAATTCGCG)(2), at a resolution of 1.36 Angstrom. Conditions for reliable in silico docking that reproduce the observed position of the ligand in the minor groove have been determined. | |||
Targeting the DNA minor groove with fused ring dicationic compounds: comparison of in silico screening and a high-resolution crystal structure.,Campbell NH, Evans DA, Lee MP, Parkinson GN, Neidle S Bioorg Med Chem Lett. 2006 Jan 1;16(1):15-9. Epub 2005 Nov 2. PMID:16263285<ref>PMID:16263285</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
== | |||
< | |||
[[Category: Campbell, N H.]] | [[Category: Campbell, N H.]] | ||
[[Category: Evans, D A.]] | [[Category: Evans, D A.]] | ||
Revision as of 07:06, 9 June 2014
Crystal structure of DB819-D(CGCGAATTCGCG)2 complex.
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