8fr2 - Revision history

OCA at 10:48, 22 May 2024

OCA — Wed, 22 May 2024 10:48:24 GMT

←Older revision		Revision as of 10:48, 22 May 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[8fr2]] 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=8FR2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8FR2 FirstGlance]. <br>		<table><tr><td colspan='2'>[[8fr2]] 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=8FR2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8FR2 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=N8A:4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide'>N8A</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]] 1.307Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=N8A:4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide'>N8A</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=8fr2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8fr2 OCA], [https://pdbe.org/8fr2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8fr2 RCSB], [https://www.ebi.ac.uk/pdbsum/8fr2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8fr2 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=8fr2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8fr2 OCA], [https://pdbe.org/8fr2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8fr2 RCSB], [https://www.ebi.ac.uk/pdbsum/8fr2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8fr2 ProSAT]</span></td></tr>
	</table>		</table>

OCA at 11:25, 1 February 2023

OCA — Wed, 01 Feb 2023 11:25:48 GMT

←Older revision		Revision as of 11:25, 1 February 2023
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 8fr2 is ~~ON HOLD~~	+	==Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3h==
		+	<StructureSection load='8fr2' size='340' side='right'caption='[[8fr2]], [[Resolution\|resolution]] 1.31Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[8fr2]] 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=8FR2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8FR2 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=N8A:4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide'>N8A</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=8fr2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8fr2 OCA], [https://pdbe.org/8fr2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8fr2 RCSB], [https://www.ebi.ac.uk/pdbsum/8fr2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8fr2 ProSAT]</span></td></tr>
		+	</table>
		+	== Disease ==
		+	[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 ==
		+	[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 ==
		+	This paper reports an investigation into the impact of pyridyl functional groups in conjunction with hydroxide-substituted benzenesulfonamides on the inhibition of human carbonic anhydrase (CA; EC 4.2.1.1) enzymes. These compounds were tested in vitro of CA II and CA IX, two physiologically important CA isoforms. The most potent inhibitory molecules against CA IX, 3g, 3h, and 3k, were studied to understand their binding modes via X-ray crystallography in adduct with CA II and CA IX-mimic. This research further adds to the field of CA inhibitors to better understand ligand selectivity between isoforms found in humans.

-	~~Authors: Combs~~, J~~.C.~~, ~~McKenna~~, R.	+	New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.,Combs J, Bozdag M, Cravey LD, Kota A, McKenna R, Angeli A, Carta F, Supuran CT Molecules. 2023 Jan 16;28(2):890. doi: 10.3390/molecules28020890. PMID:36677947<ref>PMID:36677947</ref>

-	~~Description: Carbonic Anhydrase IX-mimic in complex with~~ the ~~alkyl urea compound 3h~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: Combs~~, J.C~~]]	+	<div class="pdbe-citations 8fr2" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Mckenna,~~ R]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Homo sapiens]]
		+	[[Category: Large Structures]]
		+	[[Category: Combs JC]]
		+	[[Category: McKenna R]]

OCA: Protected "8fr2" [edit=sysop:move=sysop]

OCA — Wed, 18 Jan 2023 05:10:05 GMT

Protected "8fr2" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:10, 18 January 2023

OCA: New page: '''Unreleased structure''' The entry 8fr2 is ON HOLD Authors: Combs, J.C., McKenna, R. Description: Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3h [[Category: U...

OCA — Wed, 18 Jan 2023 05:10:02 GMT

New page: '''Unreleased structure''' The entry 8fr2 is ON HOLD Authors: Combs, J.C., McKenna, R. Description: Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3h [[Category: U...

New page

'''Unreleased structure'''

The entry 8fr2 is ON HOLD

Authors: Combs, J.C., McKenna, R.

Description: Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3h
[[Category: Unreleased Structures]]
[[Category: Combs, J.C]]
[[Category: Mckenna, R]]