6lnz - Revision history

OCA at 07:35, 1 May 2024

2024-05-01T07:35:54Z

←Older revision		Revision as of 07:35, 1 May 2024
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	==NMR solution structure of VEGF G-quadruplex bound a non-planar cyclometalated-carbene platinum(II) complex==		==NMR solution structure of VEGF G-quadruplex bound a non-planar cyclometalated-carbene platinum(II) complex==
-	<StructureSection load='6lnz' size='340' side='right'caption='[[6lnz~~]], [[NMR_Ensembles_of_Models \| 15 NMR models~~]]' scene=''>	+	<StructureSection load='6lnz' size='340' side='right'caption='[[6lnz]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6lnz]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6LNZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6LNZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6lnz]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6LNZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6LNZ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EL9:cyclometalated-carbene+platinum(II)+complex'>EL9</scene></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='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EL9:cyclometalated-carbene+platinum(II)+complex'>EL9</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=6lnz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6lnz OCA], [https://pdbe.org/6lnz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6lnz RCSB], [https://www.ebi.ac.uk/pdbsum/6lnz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6lnz 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=6lnz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6lnz OCA], [https://pdbe.org/6lnz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6lnz RCSB], [https://www.ebi.ac.uk/pdbsum/6lnz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6lnz ProSAT]</span></td></tr>
	</table>		</table>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	G-quadruplexes (G4s) are prevalent in oncogenes and are potential antitumor drug targets. However, binding selectivity of compounds to G4s still faces challenges. Herein, we report a platinum(II) complex (Pt1), whose affinity to G4-DNA is activated by adaptive binding and selectivity controlled by binding kinetics. The resolved structure of Pt1/VEGF-G4 (a promoter G4) shows that Pt1 matches 3'-G-tetrad of VEGF-G4 through Cl(-) -dissociation and loop rearrangement of VEGF-G4. Binding rate constants are determined by coordination bond breakage/formation, correlating fully with affinities. The selective rate-determining binding step, Cl(-) -dissociation upon G4-binding, is 2-3 orders of magnitude higher than dsDNA. Pt1 potently targets G4 in living cells, effectively represses VEGF expression, and inhibits vascular growth in zebrafish. We show adaptive G4-binding activation and controlled by kinetics, providing a complementary design principle for compounds targeting G4 or similar biomolecules.
-
-	Selectivity and Targeting of G-Quadruplex Binders Activated by Adaptive Binding and Controlled by Chemical Kinetics.,Zhu BC, He J, Liu W, Xia XY, Liu LY, Liang BB, Yao HG, Liu B, Ji LN, Mao ZW Angew Chem Int Ed Engl. 2021 Jul 5;60(28):15340-15343. doi:, 10.1002/anie.202104624. Epub 2021 Jun 1. PMID:33899272<ref>PMID:33899272</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 6lnz" style="background-color:#fffaf0;"></div>
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Liu, W]]	+	[[Category: Liu W]]
-	[[Category: Mao~~, Z W~~]]	+	[[Category: Mao ZW]]
-	[[Category: Zhu~~, B Z]]~~	+	[[Category: Zhu BZ]]
-	~~[[Category: Dna]]~~	+
-	~~[[Category: Dna-ligand complex]]~~	+
-	~~[[Category: Platinum complex]]~~	+
-	~~[[Category: Solution structure]]~~	+
-	~~[[Category: Vegf g-quadruplex~~]]	+

OCA at 10:26, 4 August 2021

2021-08-04T10:26:41Z

←Older revision		Revision as of 10:26, 4 August 2021
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	==NMR solution structure of VEGF G-quadruplex bound a non-planar cyclometalated-carbene platinum(II) complex==		==NMR solution structure of VEGF G-quadruplex bound a non-planar cyclometalated-carbene platinum(II) complex==
-	<StructureSection load='6lnz' size='340' side='right'caption='[[6lnz]]' scene=''>	+	<StructureSection load='6lnz' size='340' side='right'caption='[[6lnz]], [[NMR_Ensembles_of_Models \| 15 NMR models]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full ~~crystallographic~~ information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6LNZ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6LNZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6lnz]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6LNZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6LNZ FirstGlance]. <br>
-	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=6lnz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6lnz OCA], [~~http~~://pdbe.org/6lnz PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6lnz RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6lnz PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6lnz ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EL9:cyclometalated-carbene+platinum(II)+complex'>EL9</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=6lnz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6lnz OCA], [https://pdbe.org/6lnz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6lnz RCSB], [https://www.ebi.ac.uk/pdbsum/6lnz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6lnz ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	G-quadruplexes (G4s) are prevalent in oncogenes and are potential antitumor drug targets. However, binding selectivity of compounds to G4s still faces challenges. Herein, we report a platinum(II) complex (Pt1), whose affinity to G4-DNA is activated by adaptive binding and selectivity controlled by binding kinetics. The resolved structure of Pt1/VEGF-G4 (a promoter G4) shows that Pt1 matches 3'-G-tetrad of VEGF-G4 through Cl(-) -dissociation and loop rearrangement of VEGF-G4. Binding rate constants are determined by coordination bond breakage/formation, correlating fully with affinities. The selective rate-determining binding step, Cl(-) -dissociation upon G4-binding, is 2-3 orders of magnitude higher than dsDNA. Pt1 potently targets G4 in living cells, effectively represses VEGF expression, and inhibits vascular growth in zebrafish. We show adaptive G4-binding activation and controlled by kinetics, providing a complementary design principle for compounds targeting G4 or similar biomolecules.
		+
		+	Selectivity and Targeting of G-Quadruplex Binders Activated by Adaptive Binding and Controlled by Chemical Kinetics.,Zhu BC, He J, Liu W, Xia XY, Liu LY, Liang BB, Yao HG, Liu B, Ji LN, Mao ZW Angew Chem Int Ed Engl. 2021 Jul 5;60(28):15340-15343. doi:, 10.1002/anie.202104624. Epub 2021 Jun 1. PMID:33899272<ref>PMID:33899272</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6lnz" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Liu W]]	+	[[Category: Liu, W]]
-	[[Category: Mao ZW]]	+	[[Category: Mao, Z W]]
-	[[Category: Zhu BZ]]	+	[[Category: Zhu, B Z]]
		+	[[Category: Dna]]
		+	[[Category: Dna-ligand complex]]
		+	[[Category: Platinum complex]]
		+	[[Category: Solution structure]]
		+	[[Category: Vegf g-quadruplex]]

OCA at 05:46, 20 January 2021

2021-01-20T05:46:33Z

←Older revision		Revision as of 05:46, 20 January 2021
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-	'''Unreleased structure'''

-	~~The entry 6lnz is ON HOLD until Paper Publication~~	+	==NMR solution structure of VEGF G-quadruplex bound a non-planar cyclometalated-carbene platinum(II) complex==
-		+	<StructureSection load='6lnz' size='340' side='right'caption='[[6lnz]]' scene=''>
-	~~Authors: Liu, W., Zhu, B.Z., Mao, Z.W.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6LNZ OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6LNZ FirstGlance]. <br>
-	~~Description:~~ NMR solution structure of VEGF G-quadruplex bound a non-planar cyclometalated-carbene platinum(II) complex	+	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6lnz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6lnz OCA], [http://pdbe.org/6lnz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6lnz RCSB], [http://www.ebi.ac.uk/pdbsum/6lnz PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6lnz ProSAT]</span></td></tr>
-	[[~~Category~~: ~~Unreleased Structures~~]]	+	</table>
-	[[~~Category~~: ~~Mao~~, Z.W]]	+	__TOC__
-	[[Category: Liu, W]]	+	</StructureSection>
-	[[Category: Zhu~~, B.Z~~]]	+	[[Category: Large Structures]]
		+	[[Category: Liu W]]
		+	[[Category: Mao ZW]]
		+	[[Category: Zhu BZ]]

OCA at 02:29, 13 February 2020

2020-02-13T02:29:37Z

←Older revision		Revision as of 02:29, 13 February 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6lnz is ON HOLD	+	The entry 6lnz is ON HOLD until Paper Publication

	Authors: Liu, W., Zhu, B.Z., Mao, Z.W.		Authors: Liu, W., Zhu, B.Z., Mao, Z.W.

OCA at 13:00, 29 January 2020

2020-01-29T13:00:07Z

←Older revision		Revision as of 13:00, 29 January 2020
Line 3:		Line 3:
	The entry 6lnz is ON HOLD		The entry 6lnz is ON HOLD

-	Authors: ~~Zhu~~, ~~B.C~~., ~~Liu~~, W., Mao, Z.W.	+	Authors: Liu, W., Zhu, B.Z., Mao, Z.W.

	Description: NMR solution structure of VEGF G-quadruplex bound a non-planar cyclometalated-carbene platinum(II) complex		Description: NMR solution structure of VEGF G-quadruplex bound a non-planar cyclometalated-carbene platinum(II) complex
Line 9:		Line 9:
	[[Category: Mao, Z.W]]		[[Category: Mao, Z.W]]
	[[Category: Liu, W]]		[[Category: Liu, W]]
-	[[Category: Zhu, B.C]]	+	[[Category: Zhu, B.Z]]

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

2020-01-08T05:59:56Z

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

←Older revision

Revision as of 05:59, 8 January 2020

OCA: New page: '''Unreleased structure''' The entry 6lnz is ON HOLD Authors: Zhu, B.C., Liu, W., Mao, Z.W. Description: NMR solution structure of VEGF G-quadruplex bound a non-planar cyclometalated-c...

2020-01-08T05:59:55Z

New page: '''Unreleased structure''' The entry 6lnz is ON HOLD Authors: Zhu, B.C., Liu, W., Mao, Z.W. Description: NMR solution structure of VEGF G-quadruplex bound a non-planar cyclometalated-c...

New page

'''Unreleased structure'''

The entry 6lnz is ON HOLD

Authors: Zhu, B.C., Liu, W., Mao, Z.W.

Description: NMR solution structure of VEGF G-quadruplex bound a non-planar cyclometalated-carbene platinum(II) complex
[[Category: Unreleased Structures]]
[[Category: Mao, Z.W]]
[[Category: Liu, W]]
[[Category: Zhu, B.C]]