3nyp: Difference between revisions

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~~[[Image:3nyp.jpg|left|200px]]~~

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==A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine ligand containing bis-3-fluoropyrrolidine end side chains==

~~The line below this paragraph~~, ~~containing~~ "~~STRUCTURE_3nyp~~"~~, creates the~~ "~~Structure Box~~" ~~on the page~~.

~~You may change the PDB parameter~~ (~~which sets the PDB file loaded into the applet~~)

== Structural highlights ==

~~or the SCENE parameter (which sets the initial scene displayed when the page is loaded)~~,

<table><tr><td colspan='2'>[[3nyp]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NYP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3NYP FirstGlance]. <br>

~~or leave the SCENE parameter empty for the default display.~~

</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.179Å</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=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=RNR:3,6-BIS(3-(3-(R)-FLUOROPYRROLINDINO)PROPIONAMIDO)ACRIDINE'>RNR</scene></td></tr>

~~{{STRUCTURE_3nyp| PDB~~=~~3nyp | SCENE~~= }}

<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3nyp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nyp OCA], [https://pdbe.org/3nyp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3nyp RCSB], [https://www.ebi.ac.uk/pdbsum/3nyp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3nyp ProSAT]</span></td></tr>

</table>

== Publication Abstract from PubMed ==

Comparative X-ray structure studies reveal that C-F bond incorporation into the peripheral pyrrolidine moieties of the G-quadruplex DNA binding ligand BSU6039 leads to a distinct pyrrolidine ring conformation, relative to the non-fluorinated analogue, and with a different binding mode involving reversal of the pyrrolidinium N(+)-H orientation.

~~===A bimolecular anti~~-~~parallel~~-~~stranded Oxytricha nova telomeric~~ quadruplex ~~in complex with a 3~~,~~6-disubstituted acridine ligand containing bis-3~~-~~fluoropyrrolidine end side chains===~~

Fluorine in medicinal chemistry: beta-fluorination of peripheral pyrrolidines attached to acridine ligands affects their interactions with G-quadruplex DNA.,Campbell NH, Smith DL, Reszka AP, Neidle S, O'Hagan D Org Biomol Chem. 2011 Mar 7;9(5):1328-31. Epub 2011 Jan 10. PMID:21221451<ref>PMID:21221451</ref>

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>

~~==About this Structure==~~

</div>

~~3NYP is~~ a ~~2 chains structure~~. ~~Full crystallographic information is available from [http://oca~~.~~weizmann~~.~~ac.il~~/~~oca~~-~~bin/ocashort?id~~=~~3NYP OCA].~~

~~[[Category: Campbell, N H.]]~~

== References ==

~~[[Category: Neidle, S.]]~~

~~[[Category: Acridine]]~~

__TOC__

~~[[Category: Anti~~-~~parallel]]~~

</StructureSection>

~~[[Category~~: ~~Bimolecular]]~~

[[Category: Large Structures]]

~~[[Category: Bsu-6039]]~~

[[Category: Campbell NH]]

~~[[Category: Bsu6039]]~~

[[Category: Neidle S]]

~~[[Category: Dna]]~~

~~[[Category: G-quadruplex]]~~

[[Category: ~~Macromolecule~~]]

[[Category: ~~Oxtyricha nova~~]]

[[Category: ~~Quadruplex~~]]

~~[[Category: Telomere]]~~

~~''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Aug 25 09:02:50 2010''~~

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@@ Line 1: / Line 1: @@
-{{Seed}}
-[[Image:3nyp.jpg|left|200px]]
-<!--
+==A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine ligand containing bis-3-fluoropyrrolidine end side chains==
-The line below this paragraph, containing "STRUCTURE_3nyp", creates the "Structure Box" on the page.
+<StructureSection load='3nyp' size='340' side='right'caption='[[3nyp]], [[Resolution|resolution]] 1.18&Aring;' scene=''>
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
+== Structural highlights ==
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+<table><tr><td colspan='2'>[[3nyp]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NYP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3NYP FirstGlance]. <br>
-or leave the SCENE parameter empty for the default display.
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.179&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=RNR:3,6-BIS(3-(3-(R)-FLUOROPYRROLINDINO)PROPIONAMIDO)ACRIDINE'>RNR</scene></td></tr>
-{{STRUCTURE_3nyp|  PDB=3nyp  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3nyp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nyp OCA], [https://pdbe.org/3nyp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3nyp RCSB], [https://www.ebi.ac.uk/pdbsum/3nyp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3nyp ProSAT]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Comparative X-ray structure studies reveal that C-F bond incorporation into the peripheral pyrrolidine moieties of the G-quadruplex DNA binding ligand BSU6039 leads to a distinct pyrrolidine ring conformation, relative to the non-fluorinated analogue, and with a different binding mode involving reversal of the pyrrolidinium N(+)-H orientation.
-===A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine ligand containing bis-3-fluoropyrrolidine end side chains===
+Fluorine in medicinal chemistry: beta-fluorination of peripheral pyrrolidines attached to acridine ligands affects their interactions with G-quadruplex DNA.,Campbell NH, Smith DL, Reszka AP, Neidle S, O'Hagan D Org Biomol Chem. 2011 Mar 7;9(5):1328-31. Epub 2011 Jan 10. PMID:21221451<ref>PMID:21221451</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-==About this Structure==
+</div>
-NYP is a 2 chains structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NYP OCA].
+<div class="pdbe-citations 3nyp" style="background-color:#fffaf0;"></div>
-[[Category: Campbell, N H.]]
+== References ==
-[[Category: Neidle, S.]]
+<references/>
-[[Category: Acridine]]
+__TOC__
-[[Category: Anti-parallel]]
+</StructureSection>
-[[Category: Bimolecular]]
+[[Category: Large Structures]]
-[[Category: Bsu-6039]]
+[[Category: Campbell NH]]
-[[Category: Bsu6039]]
+[[Category: Neidle S]]
-[[Category: Dna]]
-[[Category: G-quadruplex]]
-[[Category: Macromolecule]]
-[[Category: Oxtyricha nova]]
-[[Category: Quadruplex]]
-[[Category: Telomere]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Aug 25 09:02:50 2010''