4qjx - Revision history

OCA at 15:07, 8 November 2023

OCA — Wed, 08 Nov 2023 15:07:14 GMT

←Older revision		Revision as of 15:07, 8 November 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4qjx]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QJX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4QJX FirstGlance]. <br>		<table><tr><td colspan='2'>[[4qjx]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QJX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4QJX FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=WWO:3-(BENZYLAMINO)-2,5,6-TRIFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>WWO</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 1.95Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=WWO:3-(BENZYLAMINO)-2,5,6-TRIFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>WWO</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=4qjx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qjx OCA], [https://pdbe.org/4qjx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4qjx RCSB], [https://www.ebi.ac.uk/pdbsum/4qjx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4qjx 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=4qjx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qjx OCA], [https://pdbe.org/4qjx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4qjx RCSB], [https://www.ebi.ac.uk/pdbsum/4qjx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4qjx ProSAT]</span></td></tr>
	</table>		</table>

OCA at 11:32, 15 February 2023

OCA — Wed, 15 Feb 2023 11:32:53 GMT

←Older revision		Revision as of 11:32, 15 February 2023
Line 3:		Line 3:
	<StructureSection load='4qjx' size='340' side='right'caption='[[4qjx]], [[Resolution\|resolution]] 1.95Å' scene=''>		<StructureSection load='4qjx' size='340' side='right'caption='[[4qjx]], [[Resolution\|resolution]] 1.95Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4qjx]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QJX OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4QJX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4qjx]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QJX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4QJX FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=WWO:3-(BENZYLAMINO)-2,5,6-TRIFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>WWO</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=WWO:3-(BENZYLAMINO)-2,5,6-TRIFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>WWO</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qiy\|4qiy]], [[4qiz\|4qiz]], [[4qj0\|4qj0]], [[4qjm\|4qjm]], [[4qjo\|4qjo]], [[4qjp\|4qjp]], [[4qjw\|4qjw]], [[4qtl\|4qtl]]</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=4qjx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qjx OCA], [https://pdbe.org/4qjx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4qjx RCSB], [https://www.ebi.ac.uk/pdbsum/4qjx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4qjx ProSAT]</span></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CA13 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>~~	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carbonate_dehydratase Carbonate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.1 4.2.1.1] </span></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=4qjx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qjx OCA], [~~http~~://pdbe.org/4qjx PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4qjx RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4qjx PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4qjx ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CAH13_HUMAN CAH13_HUMAN]] Reversible hydration of carbon dioxide.	+	[https://www.uniprot.org/uniprot/CAH13_HUMAN CAH13_HUMAN] Reversible hydration of carbon dioxide.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 28:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Carbonate dehydratase]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Grazulis, S]]	+	[[Category: Grazulis S]]
-	[[Category: Manakova, E]]	+	[[Category: Manakova E]]
-	[[Category: Smirnov, A]]	+	[[Category: Smirnov A]]
-	~~[[Category: Benzenesulfonamide]]~~	+
-	~~[[Category: Carbonic anhydrase]]~~	+
-	~~[[Category: Drug design]]~~	+
-	~~[[Category: Lyase-lyase inhibitor complex]]~~	+
-	~~[[Category: Metal-binding~~]]	+

OCA at 09:23, 24 April 2019

OCA — Wed, 24 Apr 2019 09:23:22 GMT

←Older revision		Revision as of 09:23, 24 April 2019
Line 1:		Line 1:

	==Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor==		==Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor==
-	<StructureSection load='4qjx' size='340' side='right' caption='[[4qjx]], [[Resolution\|resolution]] 1.95Å' scene=''>	+	<StructureSection load='4qjx' size='340' side='right'caption='[[4qjx]], [[Resolution\|resolution]] 1.95Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4qjx]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QJX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4QJX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4qjx]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QJX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4QJX FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=WWO:3-(BENZYLAMINO)-2,5,6-TRIFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>WWO</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=WWO:3-(BENZYLAMINO)-2,5,6-TRIFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>WWO</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qiy\|4qiy]], [[4qiz\|4qiz]], [[4qj0\|4qj0]], [[4qjm\|4qjm]], [[4qjo\|4qjo]], [[4qjp\|4qjp]], [[4qjw\|4qjw]], [[4qtl\|4qtl]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qiy\|4qiy]], [[4qiz\|4qiz]], [[4qj0\|4qj0]], [[4qjm\|4qjm]], [[4qjo\|4qjo]], [[4qjp\|4qjp]], [[4qjw\|4qjw]], [[4qtl\|4qtl]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CA13 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carbonate_dehydratase Carbonate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.1 4.2.1.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carbonate_dehydratase Carbonate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.1 4.2.1.1] </span></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=4qjx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qjx OCA], [http://pdbe.org/4qjx PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4qjx RCSB], [http://www.ebi.ac.uk/pdbsum/4qjx PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4qjx ProSAT]</span></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=4qjx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qjx OCA], [http://pdbe.org/4qjx PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4qjx RCSB], [http://www.ebi.ac.uk/pdbsum/4qjx PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4qjx ProSAT]</span></td></tr>
Line 20:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 4qjx" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4qjx" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Carbonic anhydrase 3D structures\|Carbonic anhydrase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 25:		Line 29:
	</StructureSection>		</StructureSection>
	[[Category: Carbonate dehydratase]]		[[Category: Carbonate dehydratase]]
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Grazulis, S]]		[[Category: Grazulis, S]]
	[[Category: Manakova, E]]		[[Category: Manakova, E]]

OCA at 17:24, 18 January 2017

OCA — Wed, 18 Jan 2017 17:24:13 GMT

←Older revision		Revision as of 17:24, 18 January 2017
Line 1:		Line 1:
		+
	==Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor==		==Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor==
	<StructureSection load='4qjx' size='340' side='right' caption='[[4qjx]], [[Resolution\|resolution]] 1.95Å' scene=''>		<StructureSection load='4qjx' size='340' side='right' caption='[[4qjx]], [[Resolution\|resolution]] 1.95Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qiy\|4qiy]], [[4qiz\|4qiz]], [[4qj0\|4qj0]], [[4qjm\|4qjm]], [[4qjo\|4qjo]], [[4qjp\|4qjp]], [[4qjw\|4qjw]], [[4qtl\|4qtl]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qiy\|4qiy]], [[4qiz\|4qiz]], [[4qj0\|4qj0]], [[4qjm\|4qjm]], [[4qjo\|4qjo]], [[4qjp\|4qjp]], [[4qjw\|4qjw]], [[4qtl\|4qtl]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carbonate_dehydratase Carbonate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.1 4.2.1.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carbonate_dehydratase Carbonate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.1 4.2.1.1] </span></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=4qjx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qjx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4qjx RCSB], [http://www.ebi.ac.uk/pdbsum/4qjx PDBsum]</span></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=4qjx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qjx OCA], [http://pdbe.org/4qjx PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4qjx RCSB], [http://www.ebi.ac.uk/pdbsum/4qjx PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4qjx ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 4qjx" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 12:51, 15 April 2015

OCA — Wed, 15 Apr 2015 12:51:28 GMT

←Older revision		Revision as of 12:51, 15 April 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor==
		+	<StructureSection load='4qjx' size='340' side='right' caption='[[4qjx]], [[Resolution\|resolution]] 1.95Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4qjx]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QJX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4QJX FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=WWO:3-(BENZYLAMINO)-2,5,6-TRIFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>WWO</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qiy\|4qiy]], [[4qiz\|4qiz]], [[4qj0\|4qj0]], [[4qjm\|4qjm]], [[4qjo\|4qjo]], [[4qjp\|4qjp]], [[4qjw\|4qjw]], [[4qtl\|4qtl]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carbonate_dehydratase Carbonate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.1 4.2.1.1] </span></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=4qjx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qjx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4qjx RCSB], [http://www.ebi.ac.uk/pdbsum/4qjx PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CAH13_HUMAN CAH13_HUMAN]] Reversible hydration of carbon dioxide.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Substituted tri- and tetrafluorobenzenesulfonamides were designed, synthesized, and evaluated as high-affinity and isoform-selective carbonic anhydrase (CA) inhibitors. Their binding affinities for recombinant human CA I, II, VA, VI, VII, XII, and XIII catalytic domains were determined by fluorescent thermal shift assay, isothermal titration calorimetry, and a stopped-flow CO2 hydration assay. Variation of the substituents at the 2-, 3-, and 4-positions yielded compounds with a broad range of binding affinities and isoform selectivities. Several 2,4-substituted-3,5,6-trifluorobenzenesulfonamides were effective CA XIII inhibitors with high selectivity over off-target CA I and CA II. 3,4-Disubstituted-2,5,6-trifluorobenzenesulfonamides bound CAs with higher affinity than 2,4-disubstituted-3,5,6-trifluorobenzenesulfonamides. Many such fluorinated benzenesulfonamides were found to be nanomolar inhibitors of CA II, CA VII, tumor-associated CA IX and CA XII, and CA XIII. X-ray crystal structures of inhibitors bound in the active sites of several CA isoforms provide structure-activity relationship information for inhibitor binding affinities and selectivity.

-	~~The entry 4qjx is ON HOLD until Paper Publication~~	+	Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases.,Dudutiene V, Zubriene A, Smirnov A, Timm DD, Smirnoviene J, Kazokaite J, Michailoviene V, Zaksauskas A, Manakova E, Grazulis S, Matulis D ChemMedChem. 2015 Apr;10(4):662-87. doi: 10.1002/cmdc.201402490. Epub 2015 Mar, 10. PMID:25758852<ref>PMID:25758852</ref>

-	~~Authors: Smirnov~~, A.~~, Manakova, E., Grazulis,~~ S.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor~~	+	== References ==
-	[[Category: ~~Unreleased Structures~~]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Carbonate dehydratase]]
		+	[[Category: Grazulis, S]]
	[[Category: Manakova, E]]		[[Category: Manakova, E]]
-	[[Category: Grazulis, S]]
	[[Category: Smirnov, A]]		[[Category: Smirnov, A]]
		+	[[Category: Benzenesulfonamide]]
		+	[[Category: Carbonic anhydrase]]
		+	[[Category: Drug design]]
		+	[[Category: Lyase-lyase inhibitor complex]]
		+	[[Category: Metal-binding]]

OCA at 15:51, 24 December 2014

OCA — Wed, 24 Dec 2014 15:51:25 GMT

←Older revision		Revision as of 15:51, 24 December 2014
Line 6:		Line 6:

	Description: Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor		Description: Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor
		+	[[Category: Unreleased Structures]]
		+	[[Category: Manakova, E]]
		+	[[Category: Grazulis, S]]
		+	[[Category: Smirnov, A]]

OCA at 09:45, 16 July 2014

OCA — Wed, 16 Jul 2014 09:45:15 GMT

←Older revision		Revision as of 09:45, 16 July 2014
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4qjx is ON HOLD	+	The entry 4qjx is ON HOLD until Paper Publication

	Authors: Smirnov, A., Manakova, E., Grazulis, S.		Authors: Smirnov, A., Manakova, E., Grazulis, S.

	Description: Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor		Description: Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor

OCA: Protected "4qjx" [edit=sysop:move=sysop]

OCA — Wed, 11 Jun 2014 08:09:29 GMT

Protected "4qjx" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:09, 11 June 2014

OCA: New page: '''Unreleased structure''' The entry 4qjx is ON HOLD Authors: Smirnov, A., Manakova, E., Grazulis, S. Description: Crystal structure of human carbonic anhydrase isozyme XIII with inhib...

OCA — Wed, 11 Jun 2014 08:09:27 GMT

New page: '''Unreleased structure''' The entry 4qjx is ON HOLD Authors: Smirnov, A., Manakova, E., Grazulis, S. Description: Crystal structure of human carbonic anhydrase isozyme XIII with inhib...

New page

'''Unreleased structure'''

The entry 4qjx is ON HOLD

Authors: Smirnov, A., Manakova, E., Grazulis, S.

Description: Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor