2b3e

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{{Seed}}
 
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[[Image:2b3e.png|left|200px]]
 
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==Crystal structure of DB819-D(CGCGAATTCGCG)2 complex.==
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The line below this paragraph, containing "STRUCTURE_2b3e", creates the "Structure Box" on the page.
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<StructureSection load='2b3e' size='340' side='right'caption='[[2b3e]], [[Resolution|resolution]] 1.36&Aring;' scene=''>
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<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 [https://proteopedia.org/fgij/fg.htm?mol=2B3E FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.36&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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></td></tr>
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{{STRUCTURE_2b3e| PDB=2b3e | SCENE= }}
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2b3e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2b3e OCA], [https://pdbe.org/2b3e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2b3e RCSB], [https://www.ebi.ac.uk/pdbsum/2b3e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2b3e ProSAT]</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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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.
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===Crystal structure of DB819-D(CGCGAATTCGCG)2 complex.===
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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>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<div class="pdbe-citations 2b3e" style="background-color:#fffaf0;"></div>
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(as it appears on PubMed at http://www.pubmed.gov), where 16263285 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_16263285}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Large Structures]]
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Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2B3E OCA].
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[[Category: Campbell NH]]
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[[Category: Evans DA]]
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==Reference==
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[[Category: Lee MP]]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/16263285 16263285]
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[[Category: Neidle S]]
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[[Category: Campbell, N H.]]
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[[Category: Parkinson GN]]
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[[Category: Evans, D A.]]
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[[Category: Lee, M P.]]
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[[Category: Neidle, S.]]
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[[Category: Parkinson, G N.]]
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[[Category: A2t2]]
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[[Category: Crystal structure of b-dna]]
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[[Category: Db819]]
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[[Category: Dickerson and drew dodecamer]]
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[[Category: Dna]]
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[[Category: Dna hydration.]]
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[[Category: Dna minor]]
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[[Category: Dna minor groove-ligand complex]]
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[[Category: Dna-drug complex]]
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[[Category: Double helix]]
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[[Category: Groove binder]]
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[[Category: Hydrated magnesium]]
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[[Category: Magnesium-water complex]]
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[[Category: Minor groove]]
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[[Category: Nucleic acid]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 11:43:17 2008''
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Current revision

Crystal structure of DB819-D(CGCGAATTCGCG)2 complex.

PDB ID 2b3e

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