6y00 - Revision history

OCA at 13:16, 24 January 2024

OCA — Wed, 24 Jan 2024 13:16:15 GMT

←Older revision		Revision as of 13:16, 24 January 2024
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	==crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide==		==crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide==
-	<StructureSection load='6y00' size='340' side='right'caption='[[6y00]]' scene=''>	+	<StructureSection load='6y00' size='340' side='right'caption='[[6y00]], [[Resolution\|resolution]] 1.37Å' 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=6Y00 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6Y00 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6y00]] 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=6Y00 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Y00 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=6y00 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6y00 OCA], [~~http~~://pdbe.org/6y00 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6y00 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6y00 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6y00 ProSAT]</span></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]] 1.37Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=O5T:1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea'>O5T</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=6y00 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6y00 OCA], [https://pdbe.org/6y00 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6y00 RCSB], [https://www.ebi.ac.uk/pdbsum/6y00 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6y00 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[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 ==
		+	A drug design strategy of carbonic anhydrase inhibitors (CAIs) belonging to sulfonamides incorporating ureidoethylaminobenzyl tails is presented. A variety of substitution patterns on the ring and the tails, located on para- or meta- positions with respect to the sulfonamide warheads were incorporated in the new compounds. Inhibition of human carbonic anhydrases (hCA) isoforms I, II, IX and XII, involving various pathologies, was assessed with the new compounds. Selective inhibitory profile towards hCA II was observed, the most active compounds being low nM inhibitors (KIs of 2.8-9.2 nM, respectively). Extensive X-ray crystallographic analysis of several sulfonamides in an adduct with hCA I allowed an in-depth understanding of their binding mode and to lay a detailed structure-activity relationship.
		+
		+	Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.,Ali M, Bozdag M, Farooq U, Angeli A, Carta F, Berto P, Zanotti G, Supuran CT Int J Mol Sci. 2020 Apr 7;21(7). pii: ijms21072560. doi: 10.3390/ijms21072560. PMID:32272689<ref>PMID:32272689</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6y00" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Carbonic anhydrase 3D structures\|Carbonic anhydrase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Angeli A]]		[[Category: Angeli A]]

OCA at 11:13, 23 September 2020

OCA — Wed, 23 Sep 2020 11:13:41 GMT

←Older revision		Revision as of 11:13, 23 September 2020
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-	'''Unreleased structure'''

-	~~The entry 6y00 is ON HOLD until Paper Publication~~	+	==crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide==
-		+	<StructureSection load='6y00' size='340' side='right'caption='[[6y00]]' scene=''>
-	~~Authors: Zanotti, G., Majid, A., Bozdag, M., Angeli, A., Carta, F., Berto, P., Supuran, C.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Y00 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6Y00 FirstGlance]. <br>
-	~~Description:~~ crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide	+	</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=6y00 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6y00 OCA], [http://pdbe.org/6y00 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6y00 RCSB], [http://www.ebi.ac.uk/pdbsum/6y00 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6y00 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: Berto, P]]	+	__TOC__
-	[[Category: Bozdag, M]]	+	</StructureSection>
-	[[Category: ~~Angeli, A~~]]	+	[[Category: Large Structures]]
-	[[Category: Majid, A]]	+	[[Category: Angeli A]]
-	[[Category: Supuran, C]]	+	[[Category: Berto P]]
-	[[Category: Zanotti, G]]	+	[[Category: Bozdag M]]
-	~~[[Category: Carta, F~~]]	+	[[Category: Carta F]]
		+	[[Category: Majid A]]
		+	[[Category: Supuran C]]
		+	[[Category: Zanotti G]]

OCA: Protected "6y00" [edit=sysop:move=sysop]

OCA — Thu, 13 Feb 2020 02:55:34 GMT

Protected "6y00" [edit=sysop:move=sysop]

←Older revision

Revision as of 02:55, 13 February 2020

OCA: New page: '''Unreleased structure''' The entry 6y00 is ON HOLD until Paper Publication Authors: Zanotti, G., Majid, A., Bozdag, M., Angeli, A., Carta, F., Berto, P., Supuran, C. Description: cry...

OCA — Thu, 13 Feb 2020 02:55:32 GMT

New page: '''Unreleased structure''' The entry 6y00 is ON HOLD until Paper Publication Authors: Zanotti, G., Majid, A., Bozdag, M., Angeli, A., Carta, F., Berto, P., Supuran, C. Description: cry...

New page

'''Unreleased structure'''

The entry 6y00 is ON HOLD until Paper Publication

Authors: Zanotti, G., Majid, A., Bozdag, M., Angeli, A., Carta, F., Berto, P., Supuran, C.

Description: crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
[[Category: Unreleased Structures]]
[[Category: Berto, P]]
[[Category: Bozdag, M]]
[[Category: Angeli, A]]
[[Category: Majid, A]]
[[Category: Supuran, C]]
[[Category: Zanotti, G]]
[[Category: Carta, F]]