2xtk - Revision history

OCA at 07:11, 1 May 2024

OCA — Wed, 01 May 2024 07:11:29 GMT

←Older revision		Revision as of 07:11, 1 May 2024
Line 10:		Line 10:
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/B0Y2Y2_ASPFC B0Y2Y2_ASPFC]		[https://www.uniprot.org/uniprot/B0Y2Y2_ASPFC B0Y2Y2_ASPFC]
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Chitin is an essential structural component of the fungal cell wall. Chitinases are thought to be important for fungal cell wall remodelling, and inhibition of these enzymes has been proposed as a potential strategy for development of novel anti-fungals. The fungal pathogen Aspergillus fumigatus possesses two distinct multi-gene chitinase families. Here we explore acetazolamide as a chemical scaffold for the inhibition of an A. fumigatus 'plant-type' chitinase. A co-crystal structure of AfChiA1 with acetazolamide was used to guide synthesis and screening of acetazolamide analogues that yielded SAR in agreement with these structural data. Although acetazolamide and its analogues are weak inhibitors of the enzyme, they have a high ligand efficiency and as such are interesting leads for future inhibitor development.
-
-	Acetazolamide-based fungal chitinase inhibitors.,Schuttelkopf AW, Gros L, Blair DE, Frearson JA, van Aalten DM, Gilbert IH Bioorg Med Chem. 2010 Dec 1;18(23):8334-40. Epub 2010 Oct 8. PMID:21044846<ref>PMID:21044846</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 2xtk" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Chitinase 3D structures\|Chitinase 3D structures]]		*[[Chitinase 3D structures\|Chitinase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 13:59, 1 February 2024

OCA — Thu, 01 Feb 2024 13:59:28 GMT

←Older revision		Revision as of 13:59, 1 February 2024
Line 3:		Line 3:
	<StructureSection load='2xtk' size='340' side='right'caption='[[2xtk]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='2xtk' size='340' side='right'caption='[[2xtk]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2xtk]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Aspfc Aspfc~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XTK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XTK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2xtk]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspergillus_fumigatus_A1163 Aspergillus fumigatus A1163]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XTK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XTK FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=AZM:5~~-~~ACETAMIDO-1~~,~~3,4-THIADIAZOLE-~~2~~-SULFONAMIDE'>AZM</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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]] 2Å</td></tr>
-	<tr id='~~activity~~'><td class="sblockLbl"><b>~~Activity~~:</b></td><td class="sblockDat"><~~span class~~='~~plainlinks'>[https~~:~~//en.wikipedia.org/wiki/Chitinase Chitinase], with EC number [https://www.brenda~~-~~enzymes.info/php/result_flat.php4?ecno=3.2.~~1~~.14~~ 3.2~~.1.14]~~ </~~span~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AZM:5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE'>AZM</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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=2xtk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xtk OCA], [https://pdbe.org/2xtk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xtk RCSB], [https://www.ebi.ac.uk/pdbsum/2xtk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xtk 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=2xtk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xtk OCA], [https://pdbe.org/2xtk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xtk RCSB], [https://www.ebi.ac.uk/pdbsum/2xtk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xtk ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/B0Y2Y2_ASPFC B0Y2Y2_ASPFC]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 24:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Aspfc]]~~	+	[[Category: Aspergillus fumigatus A1163]]
-	~~[[Category: Chitinase~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Aalten, D M.F van]]~~	+	[[Category: Schuettelkopf AW]]
-	[[Category: Schuettelkopf~~, A W~~]]	+	[[Category: Van Aalten DMF]]
-	[[Category: ~~Gh18]]~~	+
-	~~[[Category: Hydrolase~~]]	+

OCA at 12:17, 27 April 2022

OCA — Wed, 27 Apr 2022 12:17:03 GMT

←Older revision		Revision as of 12:17, 27 April 2022
Line 3:		Line 3:
	<StructureSection load='2xtk' size='340' side='right'caption='[[2xtk]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='2xtk' size='340' side='right'caption='[[2xtk]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2xtk]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Aspfc Aspfc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XTK OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=2XTK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2xtk]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspfc Aspfc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XTK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XTK FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AZM:5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE'>AZM</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AZM:5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE'>AZM</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Chitinase Chitinase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14 3.2.1.14] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Chitinase Chitinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14 3.2.1.14] </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=2xtk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xtk OCA], [~~http~~://pdbe.org/2xtk PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2xtk RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2xtk PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2xtk 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=2xtk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xtk OCA], [https://pdbe.org/2xtk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xtk RCSB], [https://www.ebi.ac.uk/pdbsum/2xtk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xtk ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 12:20, 22 July 2020

OCA — Wed, 22 Jul 2020 12:20:29 GMT

←Older revision		Revision as of 12:20, 22 July 2020
Line 1:		Line 1:

	==ChiA1 from Aspergillus fumigatus in complex with acetazolamide==		==ChiA1 from Aspergillus fumigatus in complex with acetazolamide==
-	<StructureSection load='2xtk' size='340' side='right' caption='[[2xtk]], [[Resolution\|resolution]] 2.00Å' scene=''>	+	<StructureSection load='2xtk' size='340' side='right'caption='[[2xtk]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2xtk]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspfc Aspfc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XTK OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2XTK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2xtk]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspfc Aspfc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XTK OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=2XTK FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AZM:5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE'>AZM</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AZM:5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE'>AZM</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Chitinase Chitinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14 3.2.1.14] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Chitinase Chitinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14 3.2.1.14] </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=2xtk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xtk OCA], [http://pdbe.org/2xtk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2xtk RCSB], [http://www.ebi.ac.uk/pdbsum/2xtk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2xtk 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=2xtk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xtk OCA], [http://pdbe.org/2xtk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2xtk RCSB], [http://www.ebi.ac.uk/pdbsum/2xtk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2xtk ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 19:		Line 19:

	==See Also==		==See Also==
-	*[[Chitinase\|Chitinase]]	+	*[[Chitinase 3D structures\|Chitinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 26:		Line 26:
	[[Category: Aspfc]]		[[Category: Aspfc]]
	[[Category: Chitinase]]		[[Category: Chitinase]]
		+	[[Category: Large Structures]]
	[[Category: Aalten, D M.F van]]		[[Category: Aalten, D M.F van]]
	[[Category: Schuettelkopf, A W]]		[[Category: Schuettelkopf, A W]]
	[[Category: Gh18]]		[[Category: Gh18]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]

OCA at 08:57, 10 October 2018

OCA — Wed, 10 Oct 2018 08:57:40 GMT

←Older revision		Revision as of 08:57, 10 October 2018
Line 26:		Line 26:
	[[Category: Aspfc]]		[[Category: Aspfc]]
	[[Category: Chitinase]]		[[Category: Chitinase]]
-	[[Category: Aalten, D M.F ~~Van~~]]	+	[[Category: Aalten, D M.F van]]
	[[Category: Schuettelkopf, A W]]		[[Category: Schuettelkopf, A W]]
	[[Category: Gh18]]		[[Category: Gh18]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]

OCA at 09:06, 11 August 2016

OCA — Thu, 11 Aug 2016 09:06:26 GMT

←Older revision		Revision as of 09:06, 11 August 2016
Line 1:		Line 1:
		+
	==ChiA1 from Aspergillus fumigatus in complex with acetazolamide==		==ChiA1 from Aspergillus fumigatus in complex with acetazolamide==
	<StructureSection load='2xtk' size='340' side='right' caption='[[2xtk]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='2xtk' size='340' side='right' caption='[[2xtk]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2xtk]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Aspergillus_fumigatus Aspergillus fumigatus~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XTK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XTK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2xtk]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspfc Aspfc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XTK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XTK FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AZM:5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE'>AZM</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AZM:5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE'>AZM</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Chitinase Chitinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14 3.2.1.14] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Chitinase Chitinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14 3.2.1.14] </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=2xtk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xtk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2xtk RCSB], [http://www.ebi.ac.uk/pdbsum/2xtk 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=2xtk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xtk OCA], [http://pdbe.org/2xtk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2xtk RCSB], [http://www.ebi.ac.uk/pdbsum/2xtk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2xtk ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 15:		Line 16:
	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 2xtk" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 22:		Line 24:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Aspergillus fumigatus~~]]	+	[[Category: Aspfc]]
	[[Category: Chitinase]]		[[Category: Chitinase]]
	[[Category: Aalten, D M.F Van]]		[[Category: Aalten, D M.F Van]]

OCA at 08:05, 25 January 2015

OCA — Sun, 25 Jan 2015 08:05:24 GMT

←Older revision		Revision as of 08:05, 25 January 2015
Line 24:		Line 24:
	[[Category: Aspergillus fumigatus]]		[[Category: Aspergillus fumigatus]]
	[[Category: Chitinase]]		[[Category: Chitinase]]
-	[[Category: Aalten, D M.F Van.]]	+	[[Category: Aalten, D M.F Van]]
-	[[Category: Schuettelkopf, A W.]]	+	[[Category: Schuettelkopf, A W]]
	[[Category: Gh18]]		[[Category: Gh18]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]

OCA at 13:06, 22 October 2014

OCA — Wed, 22 Oct 2014 13:06:48 GMT

←Older revision		Revision as of 13:06, 22 October 2014
Line 1:		Line 1:
-	[[~~Image:~~2xtk.~~png~~\|~~left\|200px~~]]	+	==ChiA1 from Aspergillus fumigatus in complex with acetazolamide==
		+	<StructureSection load='2xtk' size='340' side='right' caption='[[2xtk]], [[Resolution\|resolution]] 2.00Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2xtk]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspergillus_fumigatus Aspergillus fumigatus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XTK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XTK FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AZM:5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE'>AZM</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Chitinase Chitinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14 3.2.1.14] </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=2xtk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xtk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2xtk RCSB], [http://www.ebi.ac.uk/pdbsum/2xtk PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Chitin is an essential structural component of the fungal cell wall. Chitinases are thought to be important for fungal cell wall remodelling, and inhibition of these enzymes has been proposed as a potential strategy for development of novel anti-fungals. The fungal pathogen Aspergillus fumigatus possesses two distinct multi-gene chitinase families. Here we explore acetazolamide as a chemical scaffold for the inhibition of an A. fumigatus 'plant-type' chitinase. A co-crystal structure of AfChiA1 with acetazolamide was used to guide synthesis and screening of acetazolamide analogues that yielded SAR in agreement with these structural data. Although acetazolamide and its analogues are weak inhibitors of the enzyme, they have a high ligand efficiency and as such are interesting leads for future inhibitor development.

-	~~{{STRUCTURE_2xtk\| PDB=2xtk \| SCENE= }}~~	+	Acetazolamide-based fungal chitinase inhibitors.,Schuttelkopf AW, Gros L, Blair DE, Frearson JA, van Aalten DM, Gilbert IH Bioorg Med Chem. 2010 Dec 1;18(23):8334-40. Epub 2010 Oct 8. PMID:21044846<ref>PMID:21044846</ref>

-	~~===ChiA1 from Aspergillus fumigatus in complex with acetazolamide===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_21044846}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[2xtk]] is~~ a ~~2 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Aspergillus_fumigatus Aspergillus fumigatus]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=2XTK OCA].~~	+

	==See Also==		==See Also==
	*[[Chitinase\|Chitinase]]		*[[Chitinase\|Chitinase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:021044846<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Aspergillus fumigatus]]		[[Category: Aspergillus fumigatus]]
	[[Category: Chitinase]]		[[Category: Chitinase]]

OCA at 10:10, 20 October 2012

OCA — Sat, 20 Oct 2012 10:10:11 GMT

←Older revision		Revision as of 10:10, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[2xtk]] is a 2 chain structure ~~of [[Chitinase]]~~ with sequence from [http://en.wikipedia.org/wiki/Aspergillus_fumigatus Aspergillus fumigatus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XTK OCA].	+	[[2xtk]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspergillus_fumigatus Aspergillus fumigatus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XTK OCA].

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

OCA at 05:11, 29 August 2012

OCA — Wed, 29 Aug 2012 05:11:56 GMT

←Older revision		Revision as of 05:11, 29 August 2012
Line 3:		Line 3:
	{{STRUCTURE_2xtk\| PDB=2xtk \| SCENE= }}		{{STRUCTURE_2xtk\| PDB=2xtk \| SCENE= }}

-	===~~CHIA1 FROM ASPERGILLUS FUMIGATUS IN COMPLEX WITH ACETAZOLAMIDE~~===	+	===ChiA1 from Aspergillus fumigatus in complex with acetazolamide===

-	{{~~ABSTRACT_PUBMED_021044846~~}}	+	{{ABSTRACT_PUBMED_21044846}}

	==About this Structure==		==About this Structure==