6ze8 - Revision history

OCA at 13:47, 24 January 2024

2024-01-24T13:47:43Z

←Older revision		Revision as of 13:47, 24 January 2024
Line 3:		Line 3:
	<StructureSection load='6ze8' size='340' side='right'caption='[[6ze8]], [[Resolution\|resolution]] 1.50Å' scene=''>		<StructureSection load='6ze8' size='340' side='right'caption='[[6ze8]], [[Resolution\|resolution]] 1.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6ze8]] is a 6 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=6ZE8 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6ZE8 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6ze8]] is a 6 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=6ZE8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6ZE8 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=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=QGB:5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4H-1,2,4-triazol-3-amine'>QGB</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]] 1.5Å</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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=QGB:5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4H-1,2,4-triazol-3-amine'>QGB</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=6ze8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ze8 OCA], [https://pdbe.org/6ze8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6ze8 RCSB], [https://www.ebi.ac.uk/pdbsum/6ze8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6ze8 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=6ze8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ze8 OCA], [~~http~~://pdbe.org/6ze8 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6ze8 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6ze8 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6ze8 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 ==
Line 20:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 6ze8" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6ze8" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Chitinase 3D structures\|Chitinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Chitinase]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bartlomiejczak, A]]	+	[[Category: Bartlomiejczak A]]
-	[[Category: Napiorkowska-Gromadzka, A]]	+	[[Category: Napiorkowska-Gromadzka A]]
-	[[Category: Nowotny, M]]	+	[[Category: Nowotny M]]
-	~~[[Category: Chitin binding]]~~	+
-	~~[[Category: Hydrolase~~]]	+

OCA at 09:05, 6 January 2021

2021-01-06T09:05:16Z

←Older revision		Revision as of 09:05, 6 January 2021
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	==Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound OATD-01==		==Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound OATD-01==
-	<StructureSection load='6ze8' size='340' side='right'caption='[[6ze8]]' scene=''>	+	<StructureSection load='6ze8' size='340' side='right'caption='[[6ze8]], [[Resolution\|resolution]] 1.50Å' 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=6ZE8 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6ZE8 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6ze8]] is a 6 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=6ZE8 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6ZE8 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=6ze8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ze8 OCA], [http://pdbe.org/6ze8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ze8 RCSB], [http://www.ebi.ac.uk/pdbsum/6ze8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ze8 ProSAT]</span></td></tr>	+	</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=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=QGB:5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4H-1,2,4-triazol-3-amine'>QGB</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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6ze8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ze8 OCA], [http://pdbe.org/6ze8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ze8 RCSB], [http://www.ebi.ac.uk/pdbsum/6ze8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ze8 ProSAT]</span></td></tr>
	</table>		</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 ==
		+	Chitotriosidase (CHIT1) and acidic mammalian chitinase (AMCase) are the enzymatically active chitinases that have been implicated in the pathology of chronic lung diseases such as asthma and interstitial lung diseases (ILDs), including idiopathic pulmonary fibrosis (IPF) and sarcoidosis. The clinical and preclinical data suggest that pharmacological inhibition of CHIT1 might represent a novel therapeutic approach in IPF. Structural modification of an advanced lead molecule 3 led to the identification of compound 9 (OATD-01), a highly active CHIT1 inhibitor with both an excellent PK profile in multiple species and selectivity against a panel of other off-targets. OATD-01 given orally once daily in a range of doses between 30 and 100 mg/kg showed significant antifibrotic efficacy in an animal model of bleomycin-induced pulmonary fibrosis. OATD-01 is the first-in-class CHIT1 inhibitor, currently completed phase 1b of clinical trials, to be a potential treatment for IPF.
		+
		+	Discovery of OATD-01, a First-in-Class Chitinase Inhibitor as Potential New Therapeutics for Idiopathic Pulmonary Fibrosis.,Koralewski R, Dymek B, Mazur M, Sklepkiewicz P, Olejniczak S, Czestkowski W, Matyszewski K, Andryianau G, Niedziejko P, Kowalski M, Gruza M, Borek B, Jedrzejczak K, Bartoszewicz A, Pluta E, Rymaszewska A, Kania M, Rejczak T, Piasecka S, Mlacki M, Mazurkiewicz M, Piotrowicz M, Salamon M, Zagozdzon A, Napiorkowska-Gromadzka A, Bartlomiejczak A, Mozga W, Dobrzanski P, Dzwonek K, Golab J, Nowotny M, Olczak J, Golebiowski A J Med Chem. 2020 Oct 20. doi: 10.1021/acs.jmedchem.0c01179. PMID:33078933<ref>PMID:33078933</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6ze8" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Chitinase]]
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bartlomiejczak A]]	+	[[Category: Bartlomiejczak, A]]
-	[[Category: Napiorkowska-Gromadzka A]]	+	[[Category: Napiorkowska-Gromadzka, A]]
-	[[Category: Nowotny M]]	+	[[Category: Nowotny, M]]
		+	[[Category: Chitin binding]]
		+	[[Category: Hydrolase]]

OCA at 08:01, 11 November 2020

2020-11-11T08:01:02Z

←Older revision		Revision as of 08:01, 11 November 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6ze8 is ~~ON HOLD until Paper Publication~~	+	==Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound OATD-01==
-		+	<StructureSection load='6ze8' size='340' side='right'caption='[[6ze8]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ZE8 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6ZE8 FirstGlance]. <br>
-	~~Description~~:	+	</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=6ze8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ze8 OCA], [http://pdbe.org/6ze8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ze8 RCSB], [http://www.ebi.ac.uk/pdbsum/6ze8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ze8 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Bartlomiejczak A]]
		+	[[Category: Napiorkowska-Gromadzka A]]
		+	[[Category: Nowotny M]]

OCA at 07:55, 22 July 2020

2020-07-22T07:55:59Z

←Older revision		Revision as of 07:55, 22 July 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6ze8 is ON HOLD	+	The entry 6ze8 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "6ze8" [edit=sysop:move=sysop]

2020-06-24T18:40:41Z

Protected "6ze8" [edit=sysop:move=sysop]

←Older revision

Revision as of 18:40, 24 June 2020

OCA: New page: '''Unreleased structure''' The entry 6ze8 is ON HOLD Authors: Description: Category: Unreleased Structures

2020-06-24T18:40:40Z

New page: '''Unreleased structure''' The entry 6ze8 is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6ze8 is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]