3rm9 - Revision history

OCA at 12:29, 14 March 2024

2024-03-14T12:29:29Z

←Older revision		Revision as of 12:29, 14 March 2024
Line 3:		Line 3:
	<StructureSection load='3rm9' size='340' side='right'caption='[[3rm9]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='3rm9' size='340' side='right'caption='[[3rm9]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3rm9]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RM9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3RM9 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3rm9]] 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=3RM9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3RM9 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=613:4~~-~~(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXIMIDAMIDE'>613</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]] 2.1Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>~~[[~~Related_structure~~\|~~Related:~~]]~~</b></td><td class="sblockDat"><div style='overflow: auto~~; ~~max-height: 3em;'>[[3rm4\|3rm4]], [[3rm8\|3rm8]], [[3rme\|3rme]]</div>~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=613:4-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXIMIDAMIDE'>613</scene></td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>CHIA ([https://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'>[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'>[https://proteopedia.org/fgij/fg.htm?mol=3rm9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rm9 OCA], [https://pdbe.org/3rm9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3rm9 RCSB], [https://www.ebi.ac.uk/pdbsum/3rm9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3rm9 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=3rm9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rm9 OCA], [https://pdbe.org/3rm9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3rm9 RCSB], [https://www.ebi.ac.uk/pdbsum/3rm9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3rm9 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/CHIA_HUMAN CHIA_HUMAN]] Degrades chitin and chitotriose. May participate in the defense against nematodes, fungi and other pathogens. Plays a role in T-helper cell type 2 (Th2) immune response. Contributes to the response to IL-13 and inflammation in response to IL-13. Stimulates chemokine production by pulmonary epithelial cells. Protects lung epithelial cells against apoptosis and promotes phosphorylation of AKT1. Its function in the inflammatory response and in protecting cells against apoptosis is inhibited by allosamidin, suggesting that the function of this protein depends on carbohydrate binding.<ref>PMID:11085997</ref> <ref>PMID:18824549</ref> <ref>PMID:19342690</ref> <ref>PMID:19435888</ref>	+	[https://www.uniprot.org/uniprot/CHIA_HUMAN CHIA_HUMAN] Degrades chitin and chitotriose. May participate in the defense against nematodes, fungi and other pathogens. Plays a role in T-helper cell type 2 (Th2) immune response. Contributes to the response to IL-13 and inflammation in response to IL-13. Stimulates chemokine production by pulmonary epithelial cells. Protects lung epithelial cells against apoptosis and promotes phosphorylation of AKT1. Its function in the inflammatory response and in protecting cells against apoptosis is inhibited by allosamidin, suggesting that the function of this protein depends on carbohydrate binding.<ref>PMID:11085997</ref> <ref>PMID:18824549</ref> <ref>PMID:19342690</ref> <ref>PMID:19435888</ref>
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	Acidic mammalian chitinase (AMCase) is a member of the glycosyl hydrolase 18 family (EC 3.2.1.14) that has been implicated in the pathophysiology of allergic airway disease such as asthma. Small molecule inhibitors of AMCase were identified using a combination of high-throughput screening, fragment screening, and virtual screening techniques and characterized by enzyme inhibition and NMR and Biacore binding experiments. X-ray structures of the inhibitors in complex with AMCase revealed that the larger more potent HTS hits, e.g. 5-(4-(2-(4-bromophenoxy)ethyl)piperazine-1-yl)-1H-1,2,4-triazol-3-amine 1, spanned from the active site pocket to a hydrophobic pocket. Smaller fragments identified by FBS occupy both these pockets independently and suggest potential strategies for linking fragments. Compound 1 is a 200 nM AMCase inhibitor which reduced AMCase enzymatic activity in the bronchoalveolar lavage fluid in allergen-challenged mice after oral dosing.	+
-		+
-	Identification and characterization of acidic mammalian chitinase inhibitors.,Cole DC, Olland AM, Jacob J, Brooks J, Bursavich MG, Czerwinski R, DeClercq C, Johnson M, Joseph-McCarthy D, Ellingboe JW, Lin L, Nowak P, Presman E, Strand J, Tam A, Williams CM, Yao S, Tsao DH, Fitz LJ J Med Chem. 2010 Aug 26;53(16):6122-8. PMID:20666458<ref>PMID:20666458</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3rm9" style="background-color:#fffaf0;"></div~~>	+

	==See Also==		==See Also==
Line 28:		Line 17:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Chitinase]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Olland, A]]	+	[[Category: Olland A]]
-	~~[[Category: Hydrolase-hydrolase inhibitor complex~~]]	+

OCA at 10:16, 22 June 2022

2022-06-22T10:16:50Z

←Older revision		Revision as of 10:16, 22 June 2022
Line 1:		Line 1:

	==AMCase in complex with Compound 3==		==AMCase in complex with Compound 3==
-	<StructureSection load='3rm9' size='340' side='right' caption='[[3rm9]], [[Resolution\|resolution]] 2.10Å' scene=''>	+	<StructureSection load='3rm9' size='340' side='right'caption='[[3rm9]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3rm9]] is a 2 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=3RM9 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3RM9 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3rm9]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RM9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3RM9 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=613:4-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXIMIDAMIDE'>613</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=613:4-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXIMIDAMIDE'>613</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3rm4\|3rm4]], [[3rm8\|3rm8]], [[3rme\|3rme]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3rm4\|3rm4]], [[3rm8\|3rm8]], [[3rme\|3rme]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CHIA ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CHIA ([https://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'>[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~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3rm9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rm9 OCA], [~~http~~://pdbe.org/3rm9 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3rm9 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3rm9 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3rm9 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=3rm9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rm9 OCA], [https://pdbe.org/3rm9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3rm9 RCSB], [https://www.ebi.ac.uk/pdbsum/3rm9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3rm9 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/CHIA_HUMAN CHIA_HUMAN]] Degrades chitin and chitotriose. May participate in the defense against nematodes, fungi and other pathogens. Plays a role in T-helper cell type 2 (Th2) immune response. Contributes to the response to IL-13 and inflammation in response to IL-13. Stimulates chemokine production by pulmonary epithelial cells. Protects lung epithelial cells against apoptosis and promotes phosphorylation of AKT1. Its function in the inflammatory response and in protecting cells against apoptosis is inhibited by allosamidin, suggesting that the function of this protein depends on carbohydrate binding.<ref>PMID:11085997</ref> <ref>PMID:18824549</ref> <ref>PMID:19342690</ref> <ref>PMID:19435888</ref>	+	[[https://www.uniprot.org/uniprot/CHIA_HUMAN CHIA_HUMAN]] Degrades chitin and chitotriose. May participate in the defense against nematodes, fungi and other pathogens. Plays a role in T-helper cell type 2 (Th2) immune response. Contributes to the response to IL-13 and inflammation in response to IL-13. Stimulates chemokine production by pulmonary epithelial cells. Protects lung epithelial cells against apoptosis and promotes phosphorylation of AKT1. Its function in the inflammatory response and in protecting cells against apoptosis is inhibited by allosamidin, suggesting that the function of this protein depends on carbohydrate binding.<ref>PMID:11085997</ref> <ref>PMID:18824549</ref> <ref>PMID:19342690</ref> <ref>PMID:19435888</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		Line 23:

	==See Also==		==See Also==
-	*[[Chitinase\|Chitinase]]	+	*[[Chitinase 3D structures\|Chitinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 30:		Line 30:
	[[Category: Chitinase]]		[[Category: Chitinase]]
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Olland, A]]		[[Category: Olland, A]]
	[[Category: Hydrolase-hydrolase inhibitor complex]]		[[Category: Hydrolase-hydrolase inhibitor complex]]

OCA at 15:43, 5 August 2016

2016-08-05T15:43:38Z

←Older revision		Revision as of 15:43, 5 August 2016
Line 1:		Line 1:
		+
	==AMCase in complex with Compound 3==		==AMCase in complex with Compound 3==
	<StructureSection load='3rm9' size='340' side='right' caption='[[3rm9]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='3rm9' size='340' side='right' caption='[[3rm9]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3rm9]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Homo_sapiens Homo sapiens~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RM9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RM9 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3rm9]] is a 2 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=3RM9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RM9 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=613:4-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXIMIDAMIDE'>613</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=613:4-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXIMIDAMIDE'>613</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3rm4\|3rm4]], [[3rm8\|3rm8]], [[3rme\|3rme]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3rm4\|3rm4]], [[3rm8\|3rm8]], [[3rme\|3rme]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CHIA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 ~~Homo sapiens~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CHIA ([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=3rm9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rm9 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rm9 RCSB], [http://www.ebi.ac.uk/pdbsum/3rm9 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=3rm9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rm9 OCA], [http://pdbe.org/3rm9 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3rm9 RCSB], [http://www.ebi.ac.uk/pdbsum/3rm9 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3rm9 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 20:
	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 3rm9" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 27:		Line 29:
	</StructureSection>		</StructureSection>
	[[Category: Chitinase]]		[[Category: Chitinase]]
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Olland, A]]		[[Category: Olland, A]]
	[[Category: Hydrolase-hydrolase inhibitor complex]]		[[Category: Hydrolase-hydrolase inhibitor complex]]

OCA at 03:41, 25 December 2014

2014-12-25T03:41:39Z

←Older revision		Revision as of 03:41, 25 December 2014
Line 9:		Line 9:
	<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=3rm9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rm9 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rm9 RCSB], [http://www.ebi.ac.uk/pdbsum/3rm9 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=3rm9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rm9 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rm9 RCSB], [http://www.ebi.ac.uk/pdbsum/3rm9 PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CHIA_HUMAN CHIA_HUMAN]] Degrades chitin and chitotriose. May participate in the defense against nematodes, fungi and other pathogens. Plays a role in T-helper cell type 2 (Th2) immune response. Contributes to the response to IL-13 and inflammation in response to IL-13. Stimulates chemokine production by pulmonary epithelial cells. Protects lung epithelial cells against apoptosis and promotes phosphorylation of AKT1. Its function in the inflammatory response and in protecting cells against apoptosis is inhibited by allosamidin, suggesting that the function of this protein depends on carbohydrate binding.<ref>PMID:11085997</ref> <ref>PMID:18824549</ref> <ref>PMID:19342690</ref> <ref>PMID:19435888</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 10:42, 9 December 2014

2014-12-09T10:42:05Z

←Older revision		Revision as of 10:42, 9 December 2014
Line 1:		Line 1:
-	[[~~Image:~~3rm9.~~png~~\|~~left~~\|~~200px~~]]	+	==AMCase in complex with Compound 3==
		+	<StructureSection load='3rm9' size='340' side='right' caption='[[3rm9]], [[Resolution\|resolution]] 2.10Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3rm9]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RM9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RM9 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=613:4-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXIMIDAMIDE'>613</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3rm4\|3rm4]], [[3rm8\|3rm8]], [[3rme\|3rme]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CHIA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</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=3rm9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rm9 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rm9 RCSB], [http://www.ebi.ac.uk/pdbsum/3rm9 PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Acidic mammalian chitinase (AMCase) is a member of the glycosyl hydrolase 18 family (EC 3.2.1.14) that has been implicated in the pathophysiology of allergic airway disease such as asthma. Small molecule inhibitors of AMCase were identified using a combination of high-throughput screening, fragment screening, and virtual screening techniques and characterized by enzyme inhibition and NMR and Biacore binding experiments. X-ray structures of the inhibitors in complex with AMCase revealed that the larger more potent HTS hits, e.g. 5-(4-(2-(4-bromophenoxy)ethyl)piperazine-1-yl)-1H-1,2,4-triazol-3-amine 1, spanned from the active site pocket to a hydrophobic pocket. Smaller fragments identified by FBS occupy both these pockets independently and suggest potential strategies for linking fragments. Compound 1 is a 200 nM AMCase inhibitor which reduced AMCase enzymatic activity in the bronchoalveolar lavage fluid in allergen-challenged mice after oral dosing.

-	~~{{STRUCTURE_3rm9\| PDB=3rm9 \| SCENE= }}~~	+	Identification and characterization of acidic mammalian chitinase inhibitors.,Cole DC, Olland AM, Jacob J, Brooks J, Bursavich MG, Czerwinski R, DeClercq C, Johnson M, Joseph-McCarthy D, Ellingboe JW, Lin L, Nowak P, Presman E, Strand J, Tam A, Williams CM, Yao S, Tsao DH, Fitz LJ J Med Chem. 2010 Aug 26;53(16):6122-8. PMID:20666458<ref>PMID:20666458</ref>

-	~~===AMCase in complex with Compound 3===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_20666458}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3rm9]] is~~ a ~~2 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Homo_sapiens Homo sapiens]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=3RM9 OCA].~~	+

	==See Also==		==See Also==
	*[[Chitinase\|Chitinase]]		*[[Chitinase\|Chitinase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:020666458<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Chitinase]]		[[Category: Chitinase]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Olland, A.]]	+	[[Category: Olland, A]]
	[[Category: Hydrolase-hydrolase inhibitor complex]]		[[Category: Hydrolase-hydrolase inhibitor complex]]

OCA at 12:17, 20 October 2012

2012-10-20T12:17:03Z

←Older revision		Revision as of 12:17, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[3rm9]] is a 2 chain structure ~~of [[Chitinase]]~~ with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RM9 OCA].	+	[[3rm9]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RM9 OCA].

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

OCA at 08:12, 26 July 2012

2012-07-26T08:12:33Z

←Older revision		Revision as of 08:12, 26 July 2012
Line 1:		Line 1:
-	[[Image:3rm9.~~jpg~~\|left\|200px]]	+	[[Image:3rm9.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3rm9", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_3rm9\| PDB=3rm9 \| SCENE= }}		{{STRUCTURE_3rm9\| PDB=3rm9 \| SCENE= }}

	===AMCase in complex with Compound 3===		===AMCase in complex with Compound 3===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_20666458}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 20666458 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_20666458}}		{{ABSTRACT_PUBMED_20666458}}

	==About this Structure==		==About this Structure==
-	[[3rm9]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RM9 OCA].	+	[[3rm9]] is a 2 chain structure of [[Chitinase]] with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RM9 OCA].
		+
		+	==See Also==
		+	*[[Chitinase\|Chitinase]]

	==Reference==		==Reference==

OCA at 07:28, 24 August 2011

2011-08-24T07:28:53Z

←Older revision		Revision as of 07:28, 24 August 2011
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3rm9.jpg\|left\|200px]]

-	The ~~entry 3rm9~~ is ~~ON HOLD~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3rm9", creates the "Structure Box" on the page.
		+	You may change the PDB parameter (which sets the PDB file loaded into the applet)
		+	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
		+	or leave the SCENE parameter empty for the default display.
		+	-->
		+	{{STRUCTURE_3rm9\| PDB=3rm9 \| SCENE= }}

-	~~Authors: Olland, A.~~	+	===AMCase in complex with Compound 3===

-	~~Description~~: ~~AMCase in complex~~ with ~~Compound 3~~	+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_20666458}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 20666458 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_20666458}}
		+
		+	==About this Structure==
		+	[[3rm9]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RM9 OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:020666458</ref><references group="xtra"/>
		+	[[Category: Chitinase]]
		+	[[Category: Homo sapiens]]
		+	[[Category: Olland, A.]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]

OCA at 05:35, 27 July 2011

2011-07-27T05:35:34Z

←Older revision		Revision as of 05:35, 27 July 2011
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3rm9 is ON HOLD ~~until sometime in the future~~	+	The entry 3rm9 is ON HOLD

	Authors: Olland, A.		Authors: Olland, A.

	Description: AMCase in complex with Compound 3		Description: AMCase in complex with Compound 3

OCA at 06:32, 4 May 2011

2011-05-04T06:32:43Z

←Older revision		Revision as of 06:32, 4 May 2011
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3rm9 is ON HOLD	+	The entry 3rm9 is ON HOLD until sometime in the future

	Authors: Olland, A.		Authors: Olland, A.

	Description: AMCase in complex with Compound 3		Description: AMCase in complex with Compound 3