6asf - Revision history

OCA at 07:29, 1 May 2024

2024-05-01T07:29:30Z

←Older revision		Revision as of 07:29, 1 May 2024
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	==NMR and Restrained Molecular Dynamics Determination of the Structure of an Aza-Benzimidazole Derivative Complex with the DNA Minor Groove of an -AAGATA- Sequence==		==NMR and Restrained Molecular Dynamics Determination of the Structure of an Aza-Benzimidazole Derivative Complex with the DNA Minor Groove of an -AAGATA- Sequence==
-	<StructureSection load='6asf' size='340' side='right'caption='[[6asf~~]], [[NMR_Ensembles_of_Models \| 11 NMR models~~]]' scene=''>	+	<StructureSection load='6asf' size='340' side='right'caption='[[6asf]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6asf]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ASF OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6ASF FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6asf]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ASF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6ASF FirstGlance]. <br>
-	</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=6asf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6asf OCA], [~~http~~://pdbe.org/6asf PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6asf RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6asf PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6asf ProSAT]</span></td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</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=6asf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6asf OCA], [https://pdbe.org/6asf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6asf RCSB], [https://www.ebi.ac.uk/pdbsum/6asf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6asf ProSAT]</span></td></tr>
	</table>		</table>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	The high-resolution NMR structure of the first heterocyclic, non-amide, organic cation that strongly and selectively recognizes mixed AT/GC bp (bp=base pair) sequences of DNA in a 1:1 complex is described. Compound designs of this type provide essential methods for control of functional, non-genomic DNA sequences and have broad cell uptake capability, based on studies from animals to humans. The high-resolution structural studies described in this report are essential for understanding the molecular basis for the sequence-specific binding as well as for new ideas for additional compound designs for sequence-specific recognition. The molecular features, in this report, explain the mechanism of recognition of both AT and GC bps and are an interesting molecular recognition story. Examination of the experimental structure and the NMR restrained molecular dynamics model suggests that recognition of the GC base pair involves two specific H-bonds. The structure illustrates a wealth of information on different DNA interactions and illustrates an interfacial water molecule that is a key component of the complex.
-
-	First Structure of a Designed Minor Groove Binding Heterocyclic Cation that Specifically Recognizes Mixed DNA Base Pair Sequences.,Harika NK, Germann MW, Wilson WD Chemistry. 2017 Dec 11;23(69):17612-17620. doi: 10.1002/chem.201704563. Epub 2017, Nov 16. PMID:29044822<ref>PMID:29044822</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 6asf" style="background-color:#fffaf0;"></div>
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Boykin, D W~~]]	+	[[Category: Synthetic construct]]
-	[[Category: ~~Germann, M W~~]]	+	[[Category: Boykin DW]]
-	[[Category: ~~Harika, N K~~]]	+	[[Category: Germann MW]]
-	[[Category: ~~Dna]]~~	+	[[Category: Harika NK]]
-	~~[[Category: Minor groove]]~~	+
-	~~[[Category: Mixed base pair sequence]]~~	+
-	~~[[Category: Single gc base pair recognition~~]]	+

OCA at 10:05, 1 January 2020

2020-01-01T10:05:16Z

←Older revision		Revision as of 10:05, 1 January 2020
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	==NMR and Restrained Molecular Dynamics Determination of the Structure of an Aza-Benzimidazole Derivative Complex with the DNA Minor Groove of an -AAGATA- Sequence==		==NMR and Restrained Molecular Dynamics Determination of the Structure of an Aza-Benzimidazole Derivative Complex with the DNA Minor Groove of an -AAGATA- Sequence==
-	<StructureSection load='6asf' size='340' side='right' caption='[[6asf]], [[NMR_Ensembles_of_Models \| 11 NMR models]]' scene=''>	+	<StructureSection load='6asf' size='340' side='right'caption='[[6asf]], [[NMR_Ensembles_of_Models \| 11 NMR models]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[6asf]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ASF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6ASF FirstGlance]. <br>		<table><tr><td colspan='2'>[[6asf]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ASF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6ASF FirstGlance]. <br>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Boykin, D W]]		[[Category: Boykin, D W]]
	[[Category: Germann, M W]]		[[Category: Germann, M W]]

OCA at 05:57, 31 January 2018

2018-01-31T05:57:03Z

←Older revision		Revision as of 05:57, 31 January 2018
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-	'''Unreleased structure'''

-	~~The entry~~ 6asf is ~~ON HOLD until Paper~~ Publication	+	==NMR and Restrained Molecular Dynamics Determination of the Structure of an Aza-Benzimidazole Derivative Complex with the DNA Minor Groove of an -AAGATA- Sequence==
		+	<StructureSection load='6asf' size='340' side='right' caption='[[6asf]], [[NMR_Ensembles_of_Models \| 11 NMR models]]' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6asf]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ASF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6ASF FirstGlance]. <br>
		+	</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=6asf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6asf OCA], [http://pdbe.org/6asf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6asf RCSB], [http://www.ebi.ac.uk/pdbsum/6asf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6asf ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The high-resolution NMR structure of the first heterocyclic, non-amide, organic cation that strongly and selectively recognizes mixed AT/GC bp (bp=base pair) sequences of DNA in a 1:1 complex is described. Compound designs of this type provide essential methods for control of functional, non-genomic DNA sequences and have broad cell uptake capability, based on studies from animals to humans. The high-resolution structural studies described in this report are essential for understanding the molecular basis for the sequence-specific binding as well as for new ideas for additional compound designs for sequence-specific recognition. The molecular features, in this report, explain the mechanism of recognition of both AT and GC bps and are an interesting molecular recognition story. Examination of the experimental structure and the NMR restrained molecular dynamics model suggests that recognition of the GC base pair involves two specific H-bonds. The structure illustrates a wealth of information on different DNA interactions and illustrates an interfacial water molecule that is a key component of the complex.

-	~~Authors~~:	+	First Structure of a Designed Minor Groove Binding Heterocyclic Cation that Specifically Recognizes Mixed DNA Base Pair Sequences.,Harika NK, Germann MW, Wilson WD Chemistry. 2017 Dec 11;23(69):17612-17620. doi: 10.1002/chem.201704563. Epub 2017, Nov 16. PMID:29044822<ref>PMID:29044822</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 6asf" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Boykin, D W]]
		+	[[Category: Germann, M W]]
		+	[[Category: Harika, N K]]
		+	[[Category: Dna]]
		+	[[Category: Minor groove]]
		+	[[Category: Mixed base pair sequence]]
		+	[[Category: Single gc base pair recognition]]

OCA: Protected "6asf" [edit=sysop:move=sysop]

2017-09-27T16:44:29Z

Protected "6asf" [edit=sysop:move=sysop]

←Older revision

Revision as of 16:44, 27 September 2017

OCA: New page: '''Unreleased structure''' The entry 6asf is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

2017-09-27T16:44:28Z

New page: '''Unreleased structure''' The entry 6asf is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6asf is ON HOLD until Paper Publication

Authors:

Description:
[[Category: Unreleased Structures]]