1ftd: Difference between revisions

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== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[1ftd]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FTD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1FTD FirstGlance]. <br>
<table><tr><td colspan='2'>[[1ftd]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FTD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1FTD FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=E97:[3-(4-{2-[4-(3-DIMETHYLAMINO-PROPOXY)-PHENYL]-3H,3H-[5,5]BIBENZOIMIDAZOLYL-2-YL}-PHENOXY)-PROPYL]-DIMETHYL-AMINE'>E97</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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]] 2&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=E97:[3-(4-{2-[4-(3-DIMETHYLAMINO-PROPOXY)-PHENYL]-3H,3H-[5,5]BIBENZOIMIDAZOLYL-2-YL}-PHENOXY)-PROPYL]-DIMETHYL-AMINE'>E97</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=1ftd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ftd OCA], [https://pdbe.org/1ftd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ftd RCSB], [https://www.ebi.ac.uk/pdbsum/1ftd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ftd 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=1ftd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ftd OCA], [https://pdbe.org/1ftd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ftd RCSB], [https://www.ebi.ac.uk/pdbsum/1ftd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ftd ProSAT]</span></td></tr>
</table>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The synthesis and evaluation of the novel head-to-head bisbenzimidazole compound 2,2-bis[4'-(3' '-dimethylamino-1' '-propyloxy)phenyl]-5,5-bi-1H-benzimidazole is described. An X-ray crystallographic study of a complex with the DNA dodecanucleotide sequence d(CGCGAATTCGCG) shows the compound bound in the A/T minor groove region of a B-DNA duplex and that the head-to-head bisbenzimidazole motif hydrogen-bonds to the edges of all four consecutive A:T base pairs. The compound showed potent growth inhibition with a mean IC(50) across an ovarian carcinoma cell line panel of 0.31 microM, with no significant cross-resistance in two acquired cisplatin-resistant cell lines and a low level of cross-resistance in the P-glycoprotein overexpressing acquired doxorubicin-resistant cell line. Studies with the hollow fiber assay and in vivo tumor xenografts showed some evidence of antitumor activity.
A new class of symmetric bisbenzimidazole-based DNA minor groove-binding agents showing antitumor activity.,Mann J, Baron A, Opoku-Boahen Y, Johansson E, Parkinson G, Kelland LR, Neidle S J Med Chem. 2001 Jan 18;44(2):138-44. PMID:11170623<ref>PMID:11170623</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 1ftd" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Baron, A]]
[[Category: Baron A]]
[[Category: Johansson, E]]
[[Category: Johansson E]]
[[Category: Kelland, L R]]
[[Category: Kelland LR]]
[[Category: Mann, J]]
[[Category: Mann J]]
[[Category: Neidle, S]]
[[Category: Neidle S]]
[[Category: Opoku-Boahen, Y]]
[[Category: Opoku-Boahen Y]]
[[Category: Parkinson, G]]
[[Category: Parkinson G]]
[[Category: Dna]]
[[Category: Minor groove binding]]
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