6i0l - Revision history

OCA at 11:43, 24 January 2024

OCA — Wed, 24 Jan 2024 11:43:46 GMT

←Older revision		Revision as of 11:43, 24 January 2024
Line 3:		Line 3:
	<StructureSection load='6i0l' size='340' side='right'caption='[[6i0l]], [[Resolution\|resolution]] 1.40Å' scene=''>		<StructureSection load='6i0l' size='340' side='right'caption='[[6i0l]], [[Resolution\|resolution]] 1.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6i0l]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6I0L OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6I0L FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6i0l]] is a 2 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=6I0L OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6I0L FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=GZH:1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea'>GZH</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]] 1.4Å</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='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=GZH:1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea'>GZH</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'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=6i0l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i0l OCA], [~~http~~://pdbe.org/6i0l PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6i0l RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6i0l PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6i0l 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=6i0l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i0l OCA], [https://pdbe.org/6i0l PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6i0l RCSB], [https://www.ebi.ac.uk/pdbsum/6i0l PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6i0l ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CAH1_HUMAN CAH1_HUMAN]] Reversible hydration of carbon dioxide. Can hydrates cyanamide to urea.<ref>PMID:10550681</ref>	+	[https://www.uniprot.org/uniprot/CAH1_HUMAN CAH1_HUMAN] Reversible hydration of carbon dioxide. Can hydrates cyanamide to urea.<ref>PMID:10550681</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Carbonic anhydrase inhibitors (CAIs) of the sulfonamide, sulfamate and coumarin classes bearing the phenylureido tail found in the clinically used drug Sorafenib, a multikinase inhibitor actually used for the management of hepatocellular carcinomas, are reported. All compounds were assayed on human (h) CA isoforms I, II, VII and IX, involved in various pathologies. Among the sulfonamides, several compounds were selective for inhibiting hCA IX, with K(I) values in the low nanomolar ranges (i.e. 0.7-30.2â¯nM). We explored the binding modes of such compounds by means of X-ray crystallographic studies on isoform hCA I in adduct with one sulfonamide and a sulfamate inhibitor. Antiproliferative properties of some sulfamates on breast tumor cell lines were also investigated.
		+
		+	Carbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells.,Bozdag M, Ferraroni M, Ward C, Carta F, Bua S, Angeli A, Langdon SP, Kunkler IH, Al-Tamimi AS, Supuran CT Eur J Med Chem. 2019 Nov 15;182:111600. doi: 10.1016/j.ejmech.2019.111600. Epub , 2019 Aug 7. PMID:31419777<ref>PMID:31419777</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6i0l" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 17:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Carbonate dehydratase]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bozdag, M]]	+	[[Category: Bozdag M]]
-	[[Category: Chiapponi, D]]	+	[[Category: Chiapponi D]]
-	[[Category: Ferraroni, M]]	+	[[Category: Ferraroni M]]
-	[[Category: Supuran~~, C T]]~~	+	[[Category: Supuran CT]]
-	~~[[Category: Carbonic anhydrase i]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Lyase~~]]	+

OCA at 08:00, 2 December 2020

OCA — Wed, 02 Dec 2020 08:00:40 GMT

←Older revision		Revision as of 08:00, 2 December 2020
Line 3:		Line 3:
	<StructureSection load='6i0l' size='340' side='right'caption='[[6i0l]], [[Resolution\|resolution]] 1.40Å' scene=''>		<StructureSection load='6i0l' size='340' side='right'caption='[[6i0l]], [[Resolution\|resolution]] 1.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6i0l]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6I0L OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6I0L FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6i0l]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6I0L OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6I0L FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=GZH:1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea'>GZH</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=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=GZH:1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea'>GZH</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=6i0l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i0l OCA], [http://pdbe.org/6i0l PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6i0l RCSB], [http://www.ebi.ac.uk/pdbsum/6i0l PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6i0l ProSAT]</span></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=6i0l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i0l OCA], [http://pdbe.org/6i0l PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6i0l RCSB], [http://www.ebi.ac.uk/pdbsum/6i0l PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6i0l ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/CAH1_HUMAN CAH1_HUMAN]] Reversible hydration of carbon dioxide. Can hydrates cyanamide to urea.<ref>PMID:10550681</ref>		[[http://www.uniprot.org/uniprot/CAH1_HUMAN CAH1_HUMAN]] Reversible hydration of carbon dioxide. Can hydrates cyanamide to urea.<ref>PMID:10550681</ref>
		+
		+	==See Also==
		+	*[[Carbonic anhydrase 3D structures\|Carbonic anhydrase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 15:16, 20 November 2019

OCA — Wed, 20 Nov 2019 15:16:50 GMT

←Older revision		Revision as of 15:16, 20 November 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry 6i0l is ON HOLD until Paper Publication~~	+	==Crystal structure of human carbonic anhydrase I in complex with the 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea inhibitor==
-		+	<StructureSection load='6i0l' size='340' side='right'caption='[[6i0l]], [[Resolution\|resolution]] 1.40Å' scene=''>
-	~~Authors: Ferraroni, M., Supuran, C.T., Bozdag, M., Chiapponi, D.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6i0l]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6I0L OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6I0L FirstGlance]. <br>
-	~~Description:~~ Crystal structure of human carbonic anhydrase I in complex with the 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea inhibitor	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=GZH:1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea'>GZH</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	<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=6i0l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i0l OCA], [http://pdbe.org/6i0l PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6i0l RCSB], [http://www.ebi.ac.uk/pdbsum/6i0l PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6i0l ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CAH1_HUMAN CAH1_HUMAN]] Reversible hydration of carbon dioxide. Can hydrates cyanamide to urea.<ref>PMID:10550681</ref>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Carbonate dehydratase]]
		+	[[Category: Homo sapiens]]
		+	[[Category: Large Structures]]
	[[Category: Bozdag, M]]		[[Category: Bozdag, M]]
	[[Category: Chiapponi, D]]		[[Category: Chiapponi, D]]
-	[[Category: Supuran, C.T]]
	[[Category: Ferraroni, M]]		[[Category: Ferraroni, M]]
		+	[[Category: Supuran, C T]]
		+	[[Category: Carbonic anhydrase i]]
		+	[[Category: Inhibitor]]
		+	[[Category: Lyase]]

OCA at 06:17, 14 November 2018

OCA — Wed, 14 Nov 2018 06:17:25 GMT

←Older revision		Revision as of 06:17, 14 November 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6i0l is ON HOLD	+	The entry 6i0l is ON HOLD until Paper Publication

	Authors: Ferraroni, M., Supuran, C.T., Bozdag, M., Chiapponi, D.		Authors: Ferraroni, M., Supuran, C.T., Bozdag, M., Chiapponi, D.

OCA: Protected "6i0l" [edit=sysop:move=sysop]

OCA — Wed, 31 Oct 2018 05:17:19 GMT

Protected "6i0l" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:17, 31 October 2018

OCA: New page: '''Unreleased structure''' The entry 6i0l is ON HOLD Authors: Ferraroni, M., Supuran, C.T., Bozdag, M., Chiapponi, D. Description: Crystal structure of human carbonic anhydrase I in co...

OCA — Wed, 31 Oct 2018 05:17:18 GMT

New page: '''Unreleased structure''' The entry 6i0l is ON HOLD Authors: Ferraroni, M., Supuran, C.T., Bozdag, M., Chiapponi, D. Description: Crystal structure of human carbonic anhydrase I in co...

New page

'''Unreleased structure'''

The entry 6i0l is ON HOLD

Authors: Ferraroni, M., Supuran, C.T., Bozdag, M., Chiapponi, D.

Description: Crystal structure of human carbonic anhydrase I in complex with the 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea inhibitor
[[Category: Unreleased Structures]]
[[Category: Bozdag, M]]
[[Category: Chiapponi, D]]
[[Category: Supuran, C.T]]
[[Category: Ferraroni, M]]