5nr8 - Revision history

OCA at 12:03, 22 November 2023

OCA — Wed, 22 Nov 2023 12:03:53 GMT

←Older revision		Revision as of 12:03, 22 November 2023
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	<StructureSection load='5nr8' size='340' side='right'caption='[[5nr8]], [[Resolution\|resolution]] 1.35Å' scene=''>		<StructureSection load='5nr8' size='340' side='right'caption='[[5nr8]], [[Resolution\|resolution]] 1.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5nr8]] 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=5NR8 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5NR8 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5nr8]] 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=5NR8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5NR8 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=95N:1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine'>95N</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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]] 1.349Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CHIT1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=95N:1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine'>95N</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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'>[https://proteopedia.org/fgij/fg.htm?mol=5nr8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nr8 OCA], [https://pdbe.org/5nr8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5nr8 RCSB], [https://www.ebi.ac.uk/pdbsum/5nr8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5nr8 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=5nr8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nr8 OCA], [~~http~~://pdbe.org/5nr8 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5nr8 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5nr8 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5nr8 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CHIT1_HUMAN CHIT1_HUMAN]] Degrades chitin, chitotriose and chitobiose. May participate in the defense against nematodes and other pathogens. Isoform 3 has no enzymatic activity.<ref>PMID:7592832</ref> <ref>PMID:7836450</ref> <ref>PMID:9748235</ref>	+	[https://www.uniprot.org/uniprot/CHIT1_HUMAN CHIT1_HUMAN] Degrades chitin, chitotriose and chitobiose. May participate in the defense against nematodes and other pathogens. Isoform 3 has no enzymatic activity.<ref>PMID:7592832</ref> <ref>PMID:7836450</ref> <ref>PMID:9748235</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Chitinase]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Fadel, F]]	+	[[Category: Fadel F]]
-	[[Category: Golebiowski, A]]	+	[[Category: Golebiowski A]]
-	[[Category: Podjarny, A]]	+	[[Category: Podjarny A]]
-	~~[[Category: Hydrolase~~]]	+

OCA at 06:46, 16 October 2019

OCA — Wed, 16 Oct 2019 06:46:51 GMT

←Older revision		Revision as of 06:46, 16 October 2019
Line 1:		Line 1:

	==Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a==		==Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a==
-	<StructureSection load='5nr8' size='340' side='right' caption='[[5nr8]], [[Resolution\|resolution]] 1.35Å' scene=''>	+	<StructureSection load='5nr8' size='340' side='right'caption='[[5nr8]], [[Resolution\|resolution]] 1.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5nr8]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NR8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5NR8 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5nr8]] 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=5NR8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5NR8 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=95N:1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine'>95N</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=95N:1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine'>95N</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CHIT1 ([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/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=5nr8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nr8 OCA], [http://pdbe.org/5nr8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5nr8 RCSB], [http://www.ebi.ac.uk/pdbsum/5nr8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5nr8 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=5nr8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nr8 OCA], [http://pdbe.org/5nr8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5nr8 RCSB], [http://www.ebi.ac.uk/pdbsum/5nr8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5nr8 ProSAT]</span></td></tr>
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	</div>		</div>
	<div class="pdbe-citations 5nr8" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5nr8" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Chitinase 3D structures\|Chitinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 24:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Chitinase]]		[[Category: Chitinase]]
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Fadel, F]]		[[Category: Fadel, F]]
	[[Category: Golebiowski, A]]		[[Category: Golebiowski, A]]
	[[Category: Podjarny, A]]		[[Category: Podjarny, A]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]

OCA at 07:11, 22 February 2018

OCA — Thu, 22 Feb 2018 07:11:59 GMT

←Older revision		Revision as of 07:11, 22 February 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5nr8 is ~~ON HOLD~~	+	==Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a==
		+	<StructureSection load='5nr8' size='340' side='right' caption='[[5nr8]], [[Resolution\|resolution]] 1.35Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5nr8]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NR8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5NR8 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=95N:1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine'>95N</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=5nr8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nr8 OCA], [http://pdbe.org/5nr8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5nr8 RCSB], [http://www.ebi.ac.uk/pdbsum/5nr8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5nr8 ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CHIT1_HUMAN CHIT1_HUMAN]] Degrades chitin, chitotriose and chitobiose. May participate in the defense against nematodes and other pathogens. Isoform 3 has no enzymatic activity.<ref>PMID:7592832</ref> <ref>PMID:7836450</ref> <ref>PMID:9748235</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	This article highlights our work toward the identification of a potent, selective, and efficacious acidic mammalian chitinase (AMCase) inhibitor. Rational design, guided by X-ray analysis of several inhibitors bound to human chitotriosidase (hCHIT1), led to the identification of compound 7f as a highly potent AMCase inhibitor (IC50 values of 14 and 19 nM against human and mouse enzyme, respectively) and selective (>150x against mCHIT1) with very good PK properties. This compound dosed once daily at 30 mg/kg po showed significant anti-inflammatory efficacy in HDM-induced allergic airway inflammation in mice, reducing inflammatory cell influx in the BALF and total IgE concentration in plasma, which correlated with decrease of chitinolytic activity. Therapeutic efficacy of compound 7f in the clinically relevant aeroallergen-induced acute asthma model in mice provides a rationale for developing AMCase inhibitor for the treatment of asthma.

-	~~Authors:~~ Podjarny, A., ~~Fadel~~, F., Golebiowski, A.	+	Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.,Mazur M, Olczak J, Olejniczak S, Koralewski R, Czestkowski W, Jedrzejczak A, Golab J, Dzwonek K, Dymek B, Sklepkiewicz PL, Zagozdzon A, Noonan T, Mahboubi K, Conway B, Sheeler R, Beckett P, Hungerford WM, Podjarny A, Mitschler A, Cousido-Siah A, Fadel F, Golebiowski A J Med Chem. 2018 Feb 8;61(3):695-710. doi: 10.1021/acs.jmedchem.7b01051. Epub, 2018 Jan 11. PMID:29283260<ref>PMID:29283260</ref>

-	~~Description: Crystal structure~~ of ~~human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
-	[[Category: ~~Golebiowski, A~~]]	+	<div class="pdbe-citations 5nr8" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Chitinase]]
	[[Category: Fadel, F]]		[[Category: Fadel, F]]
		+	[[Category: Golebiowski, A]]
	[[Category: Podjarny, A]]		[[Category: Podjarny, A]]
		+	[[Category: Hydrolase]]

OCA: Protected "5nr8" [edit=sysop:move=sysop]

OCA — Thu, 04 May 2017 09:36:35 GMT

Protected "5nr8" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:36, 4 May 2017

OCA: New page: '''Unreleased structure''' The entry 5nr8 is ON HOLD Authors: Podjarny, A., Fadel, F., Golebiowski, A. Description: Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domai...

OCA — Thu, 04 May 2017 09:36:34 GMT

New page: '''Unreleased structure''' The entry 5nr8 is ON HOLD Authors: Podjarny, A., Fadel, F., Golebiowski, A. Description: Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domai...

New page

'''Unreleased structure'''

The entry 5nr8 is ON HOLD

Authors: Podjarny, A., Fadel, F., Golebiowski, A.

Description: Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a
[[Category: Unreleased Structures]]
[[Category: Golebiowski, A]]
[[Category: Fadel, F]]
[[Category: Podjarny, A]]