4rux - Revision history

OCA at 12:55, 1 March 2024

OCA — Fri, 01 Mar 2024 12:55:57 GMT

←Older revision		Revision as of 12:55, 1 March 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4rux]] 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=4RUX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4RUX FirstGlance]. <br>		<table><tr><td colspan='2'>[[4rux]] 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=4RUX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4RUX FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3W3:4-(ALLYLOXY)BENZENESULFONAMIDE'>3W3</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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]] 1.14Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3W3:4-(ALLYLOXY)BENZENESULFONAMIDE'>3W3</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=4rux FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rux OCA], [https://pdbe.org/4rux PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4rux RCSB], [https://www.ebi.ac.uk/pdbsum/4rux PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4rux 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=4rux FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rux OCA], [https://pdbe.org/4rux PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4rux RCSB], [https://www.ebi.ac.uk/pdbsum/4rux PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4rux ProSAT]</span></td></tr>
	</table>		</table>
Line 11:		Line 12:
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/CAH2_HUMAN CAH2_HUMAN] Essential for bone resorption and osteoclast differentiation (By similarity). Reversible hydration of carbon dioxide. Can hydrate cyanamide to urea. Involved in the regulation of fluid secretion into the anterior chamber of the eye.<ref>PMID:10550681</ref> <ref>PMID:11831900</ref>		[https://www.uniprot.org/uniprot/CAH2_HUMAN CAH2_HUMAN] Essential for bone resorption and osteoclast differentiation (By similarity). Reversible hydration of carbon dioxide. Can hydrate cyanamide to urea. Involved in the regulation of fluid secretion into the anterior chamber of the eye.<ref>PMID:10550681</ref> <ref>PMID:11831900</ref>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	A series of benzene sulfonamide carbonic anhydrase (CA, EC 4.2.1.1) inhibitors which incorporate lipophilic 4-alkoxy- and 4-aryloxy moieties, together with several derivatives of ethoxzolamide and sulfanilamide are reported. These derivatives were investigated as inhibitors of the metalloenzyme carbonic anhydrase (CA, EC 4.2.1.1) of which multiple isoforms are known, and some appear to be involved in pain. These sulfonamides showed modest inhibition against the cytosolic isoform CA I, but were generally effective, low nanomolar CA II, VII, IX and XII inhibitors. X-ray crystallographic data for the adduct of several such sulfonamides with CA II allowed us to rationalize the good inhibition data. In a mice model of neuropathic pain induced by oxaliplatin, one of the strong CA II/VII inhibitors reported here induced a long lasting pain relieving effect, a fact never observed earlier. This is the first report of rationally designed sulfonamide CA inhibitors with pain effective modulating effects.
-
-	A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.,Carta F, Di Cesare Mannelli L, Pinard M, Ghelardini C, Scozzafava A, McKenna R, Supuran CT Bioorg Med Chem. 2015 Apr 15;23(8):1828-40. doi: 10.1016/j.bmc.2015.02.027. Epub , 2015 Feb 21. PMID:25766630<ref>PMID:25766630</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 4rux" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==

OCA at 08:29, 8 March 2023

OCA — Wed, 08 Mar 2023 08:29:09 GMT

←Older revision		Revision as of 08:29, 8 March 2023
Line 1:		Line 1:

	==Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide==		==Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide==
-	<StructureSection load='4rux' size='340' side='right' caption='[[4rux]], [[Resolution\|resolution]] 1.14Å' scene=''>	+	<StructureSection load='4rux' size='340' side='right'caption='[[4rux]], [[Resolution\|resolution]] 1.14Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4rux]] 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=4RUX OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4RUX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4rux]] 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=4RUX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4RUX FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3W3:4-(ALLYLOXY)BENZENESULFONAMIDE'>3W3</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=3W3:4-(ALLYLOXY)BENZENESULFONAMIDE'>3W3</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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">[[4ruy\|4ruy]], [[4ruz\|4ruz]]</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=4rux FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rux OCA], [https://pdbe.org/4rux PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4rux RCSB], [https://www.ebi.ac.uk/pdbsum/4rux PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4rux ProSAT]</span></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CA2 ([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=4rux FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rux OCA], [~~http~~://pdbe.org/4rux PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4rux RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4rux PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4rux ProSAT]</span></td></tr>	+
	</table>		</table>
	== Disease ==		== Disease ==
-	[~~[http~~://www.uniprot.org/uniprot/CAH2_HUMAN CAH2_HUMAN]] Defects in CA2 are the cause of osteopetrosis autosomal recessive type 3 (OPTB3) [MIM:[~~http~~://omim.org/entry/259730 259730]]; also known as osteopetrosis with renal tubular acidosis, carbonic anhydrase II deficiency syndrome, Guibaud-Vainsel syndrome or marble brain disease. Osteopetrosis is a rare genetic disease characterized by abnormally dense bone, due to defective resorption of immature bone. The disorder occurs in two forms: a severe autosomal recessive form occurring in utero, infancy, or childhood, and a benign autosomal dominant form occurring in adolescence or adulthood. Autosomal recessive osteopetrosis is usually associated with normal or elevated amount of non-functional osteoclasts. OPTB3 is associated with renal tubular acidosis, cerebral calcification (marble brain disease) and in some cases with mental retardation.<ref>PMID:1928091</ref> <ref>PMID:1542674</ref> <ref>PMID:8834238</ref> <ref>PMID:9143915</ref> <ref>PMID:15300855</ref>	+	[https://www.uniprot.org/uniprot/CAH2_HUMAN CAH2_HUMAN] Defects in CA2 are the cause of osteopetrosis autosomal recessive type 3 (OPTB3) [MIM:[https://omim.org/entry/259730 259730]; also known as osteopetrosis with renal tubular acidosis, carbonic anhydrase II deficiency syndrome, Guibaud-Vainsel syndrome or marble brain disease. Osteopetrosis is a rare genetic disease characterized by abnormally dense bone, due to defective resorption of immature bone. The disorder occurs in two forms: a severe autosomal recessive form occurring in utero, infancy, or childhood, and a benign autosomal dominant form occurring in adolescence or adulthood. Autosomal recessive osteopetrosis is usually associated with normal or elevated amount of non-functional osteoclasts. OPTB3 is associated with renal tubular acidosis, cerebral calcification (marble brain disease) and in some cases with mental retardation.<ref>PMID:1928091</ref> <ref>PMID:1542674</ref> <ref>PMID:8834238</ref> <ref>PMID:9143915</ref> <ref>PMID:15300855</ref>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CAH2_HUMAN CAH2_HUMAN]] Essential for bone resorption and osteoclast differentiation (By similarity). Reversible hydration of carbon dioxide. Can hydrate cyanamide to urea. Involved in the regulation of fluid secretion into the anterior chamber of the eye.<ref>PMID:10550681</ref> <ref>PMID:11831900</ref>	+	[https://www.uniprot.org/uniprot/CAH2_HUMAN CAH2_HUMAN] Essential for bone resorption and osteoclast differentiation (By similarity). Reversible hydration of carbon dioxide. Can hydrate cyanamide to urea. Involved in the regulation of fluid secretion into the anterior chamber of the eye.<ref>PMID:10550681</ref> <ref>PMID:11831900</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 4rux" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4rux" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Carbonic anhydrase 3D structures\|Carbonic anhydrase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Carbonate dehydratase~~]]	+	[[Category: Homo sapiens]]
-	[[Category: ~~Human~~]]	+	[[Category: Large Structures]]
-	[[Category: Mckenna, R]]	+	[[Category: Mckenna R]]
-	[[Category: Pinard~~, M A]]~~	+	[[Category: Pinard MA]]
-	~~[[Category: Analgesic]]~~	+
-	~~[[Category: Lyase]]~~	+
-	~~[[Category: Metalloenzyme~~]]	+

OCA at 09:10, 22 November 2017

OCA — Wed, 22 Nov 2017 09:10:27 GMT

←Older revision		Revision as of 09:10, 22 November 2017
Line 3:		Line 3:
	<StructureSection load='4rux' size='340' side='right' caption='[[4rux]], [[Resolution\|resolution]] 1.14Å' scene=''>		<StructureSection load='4rux' size='340' side='right' caption='[[4rux]], [[Resolution\|resolution]] 1.14Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4rux]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4RUX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4RUX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4rux]] 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=4RUX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4RUX FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3W3:4-(ALLYLOXY)BENZENESULFONAMIDE'>3W3</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=3W3:4-(ALLYLOXY)BENZENESULFONAMIDE'>3W3</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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">[[4ruy\|4ruy]], [[4ruz\|4ruz]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ruy\|4ruy]], [[4ruz\|4ruz]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CA2 ([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=4rux FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rux OCA], [http://pdbe.org/4rux PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4rux RCSB], [http://www.ebi.ac.uk/pdbsum/4rux PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4rux 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=4rux FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rux OCA], [http://pdbe.org/4rux PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4rux RCSB], [http://www.ebi.ac.uk/pdbsum/4rux PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4rux ProSAT]</span></td></tr>
Line 27:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Carbonate dehydratase]]		[[Category: Carbonate dehydratase]]
		+	[[Category: Human]]
	[[Category: Mckenna, R]]		[[Category: Mckenna, R]]
	[[Category: Pinard, M A]]		[[Category: Pinard, M A]]

OCA at 18:50, 1 February 2017

OCA — Wed, 01 Feb 2017 18:50:54 GMT

←Older revision		Revision as of 18:50, 1 February 2017
Line 1:		Line 1:
		+
	==Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide==		==Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide==
	<StructureSection load='4rux' size='340' side='right' caption='[[4rux]], [[Resolution\|resolution]] 1.14Å' scene=''>		<StructureSection load='4rux' size='340' side='right' caption='[[4rux]], [[Resolution\|resolution]] 1.14Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ruy\|4ruy]], [[4ruz\|4ruz]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ruy\|4ruy]], [[4ruz\|4ruz]]</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=4rux FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rux OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4rux RCSB], [http://www.ebi.ac.uk/pdbsum/4rux 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=4rux FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rux OCA], [http://pdbe.org/4rux PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4rux RCSB], [http://www.ebi.ac.uk/pdbsum/4rux PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4rux ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
Line 20:		Line 21:
	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 4rux" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 12:47, 22 April 2015

OCA — Wed, 22 Apr 2015 12:47:51 GMT

←Older revision		Revision as of 12:47, 22 April 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide==
		+	<StructureSection load='4rux' size='340' side='right' caption='[[4rux]], [[Resolution\|resolution]] 1.14Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4rux]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4RUX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4RUX FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3W3:4-(ALLYLOXY)BENZENESULFONAMIDE'>3W3</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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">[[4ruy\|4ruy]], [[4ruz\|4ruz]]</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=4rux FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rux OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4rux RCSB], [http://www.ebi.ac.uk/pdbsum/4rux PDBsum]</span></td></tr>
		+	</table>
		+	== Disease ==
		+	[[http://www.uniprot.org/uniprot/CAH2_HUMAN CAH2_HUMAN]] Defects in CA2 are the cause of osteopetrosis autosomal recessive type 3 (OPTB3) [MIM:[http://omim.org/entry/259730 259730]]; also known as osteopetrosis with renal tubular acidosis, carbonic anhydrase II deficiency syndrome, Guibaud-Vainsel syndrome or marble brain disease. Osteopetrosis is a rare genetic disease characterized by abnormally dense bone, due to defective resorption of immature bone. The disorder occurs in two forms: a severe autosomal recessive form occurring in utero, infancy, or childhood, and a benign autosomal dominant form occurring in adolescence or adulthood. Autosomal recessive osteopetrosis is usually associated with normal or elevated amount of non-functional osteoclasts. OPTB3 is associated with renal tubular acidosis, cerebral calcification (marble brain disease) and in some cases with mental retardation.<ref>PMID:1928091</ref> <ref>PMID:1542674</ref> <ref>PMID:8834238</ref> <ref>PMID:9143915</ref> <ref>PMID:15300855</ref>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CAH2_HUMAN CAH2_HUMAN]] Essential for bone resorption and osteoclast differentiation (By similarity). Reversible hydration of carbon dioxide. Can hydrate cyanamide to urea. Involved in the regulation of fluid secretion into the anterior chamber of the eye.<ref>PMID:10550681</ref> <ref>PMID:11831900</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	A series of benzene sulfonamide carbonic anhydrase (CA, EC 4.2.1.1) inhibitors which incorporate lipophilic 4-alkoxy- and 4-aryloxy moieties, together with several derivatives of ethoxzolamide and sulfanilamide are reported. These derivatives were investigated as inhibitors of the metalloenzyme carbonic anhydrase (CA, EC 4.2.1.1) of which multiple isoforms are known, and some appear to be involved in pain. These sulfonamides showed modest inhibition against the cytosolic isoform CA I, but were generally effective, low nanomolar CA II, VII, IX and XII inhibitors. X-ray crystallographic data for the adduct of several such sulfonamides with CA II allowed us to rationalize the good inhibition data. In a mice model of neuropathic pain induced by oxaliplatin, one of the strong CA II/VII inhibitors reported here induced a long lasting pain relieving effect, a fact never observed earlier. This is the first report of rationally designed sulfonamide CA inhibitors with pain effective modulating effects.

-	~~The entry 4rux is ON HOLD until Paper Publication~~	+	A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.,Carta F, Di Cesare Mannelli L, Pinard M, Ghelardini C, Scozzafava A, McKenna R, Supuran CT Bioorg Med Chem. 2015 Apr 15;23(8):1828-40. doi: 10.1016/j.bmc.2015.02.027. Epub , 2015 Feb 21. PMID:25766630<ref>PMID:25766630</ref>

-	~~Authors: Pinard~~, M.A.~~, Mckenna, R~~.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description: Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide~~	+	== References ==
-	[[Category: ~~Unreleased Structures~~]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Carbonate dehydratase]]
	[[Category: Mckenna, R]]		[[Category: Mckenna, R]]
-	[[Category: Pinard, M.A]]	+	[[Category: Pinard, M A]]
		+	[[Category: Analgesic]]
		+	[[Category: Lyase]]
		+	[[Category: Metalloenzyme]]

OCA at 12:09, 31 December 2014

OCA — Wed, 31 Dec 2014 12:09:41 GMT

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

	Authors: Pinard, M.A., Mckenna, R.		Authors: Pinard, M.A., Mckenna, R.

OCA at 17:24, 24 December 2014

OCA — Wed, 24 Dec 2014 17:24:02 GMT

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	Description: Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide		Description: Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide
		+	[[Category: Unreleased Structures]]
		+	[[Category: Mckenna, R]]
		+	[[Category: Pinard, M.A]]

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

OCA — Wed, 03 Dec 2014 08:19:35 GMT

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

←Older revision

Revision as of 08:19, 3 December 2014

OCA: New page: '''Unreleased structure''' The entry 4rux is ON HOLD Authors: Pinard, M.A., Mckenna, R. Description: Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzen...

OCA — Wed, 03 Dec 2014 08:19:34 GMT

New page: '''Unreleased structure''' The entry 4rux is ON HOLD Authors: Pinard, M.A., Mckenna, R. Description: Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzen...

New page

'''Unreleased structure'''

The entry 4rux is ON HOLD

Authors: Pinard, M.A., Mckenna, R.

Description: Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide