3tsk - Revision history

OCA at 13:38, 14 March 2024

2024-03-14T13:38:18Z

←Older revision		Revision as of 13:38, 14 March 2024
Line 3:		Line 3:
	<StructureSection load='3tsk' size='340' side='right'caption='[[3tsk]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='3tsk' size='340' side='right'caption='[[3tsk]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3tsk]] is a 1 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=3TSK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TSK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3tsk]] 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=3TSK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TSK FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=QEG:N~2~-{3-[4-(4-PHENYLTHIOPHEN-2-YL)PHENYL]PROPANOYL}-L-GLUTAMINYL-L-ALPHA-GLUTAMINE'>QEG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3ts4\|3ts4]], [[3lik\|3lik]], [[3lil\|3lil]], [[3lir\|3lir]], [[3ljg\|3ljg]], [[3tt4\|3tt4]], [[3tvc\|3tvc]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=QEG:N~2~-{3-[4-(4-PHENYLTHIOPHEN-2-YL)PHENYL]PROPANOYL}-L-GLUTAMINYL-L-ALPHA-GLUTAMINE'>QEG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HME, MMP12 ([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/Macrophage_elastase Macrophage elastase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.65 3.4.24.65] </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=3tsk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tsk OCA], [https://pdbe.org/3tsk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tsk RCSB], [https://www.ebi.ac.uk/pdbsum/3tsk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tsk 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=3tsk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tsk OCA], [https://pdbe.org/3tsk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tsk RCSB], [https://www.ebi.ac.uk/pdbsum/3tsk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tsk ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/MMP12_HUMAN MMP12_HUMAN]] May be involved in tissue injury and remodeling. Has significant elastolytic activity. Can accept large and small amino acids at the P1' site, but has a preference for leucine. Aromatic or hydrophobic residues are preferred at the P1 site, with small hydrophobic residues (preferably alanine) occupying P3.	+	[https://www.uniprot.org/uniprot/MMP12_HUMAN MMP12_HUMAN] May be involved in tissue injury and remodeling. Has significant elastolytic activity. Can accept large and small amino acids at the P1' site, but has a preference for leucine. Aromatic or hydrophobic residues are preferred at the P1 site, with small hydrophobic residues (preferably alanine) occupying P3.
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	A series of pseudo-peptides with general formula X-l-Glu-NH(2) (with X corresponding to an acyl moiety with a long aryl-alkyl side chain) have been synthesized, evaluated as inhibitors of matrix metalloproteases (MMPs), and found to display remarkable nanomolar affinity. The loss in potency associated with a substitution of the P(2)' l-glutamate by a l-glutamine corroborates the importance of a carboxylate at this position. The binding mode of some of these inhibitors was characterized in solution and by x-ray crystallography in complex with various MMPs. The x-ray crystal structures reveal an unusual binding mode with the glutamate side chain chelating the active site zinc ion. Competition experiments between these inhibitors and acetohydroxamic acid, a small zinc-binding molecule, are in accord with the crystallographic results. One of these pseudo-dipeptides displays potency and selectivity toward MMP-12 similar to the best MMP-12 inhibitors reported to date. This novel family of pseudo peptides opens new opportunities to develop potent and selective inhibitors for several metzincins.	+
-		+
-	Simple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins.,Devel L, Beau F, Amoura M, Vera L, Cassar-Lajeunesse E, Garcia S, Czarny B, Stura EA, Dive V J Biol Chem. 2012 Aug 3;287(32):26647-56. Epub 2012 Jun 11. PMID:22689580<ref>PMID:22689580</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3tsk" style="background-color:#fffaf0;"></div>~~	+

	==See Also==		==See Also==
	*[[Matrix metalloproteinase 3D structures\|Matrix metalloproteinase 3D structures]]		*[[Matrix metalloproteinase 3D structures\|Matrix metalloproteinase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Macrophage elastase]]~~	+	[[Category: Beau F]]
-	[[Category: Beau, F]]	+	[[Category: Czarny B]]
-	[[Category: Czarny, B]]	+	[[Category: Devel L]]
-	[[Category: Devel, L]]	+	[[Category: Dive V]]
-	[[Category: Dive, V]]	+	[[Category: Stura EA]]
-	[[Category: Stura~~, E A~~]]	+	[[Category: Vera L]]
-	[[Category: Vera, L]]	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Metzincin]]~~	+
-	~~[[Category: Potent inhibitor]]~~	+
-	~~[[Category: Pseudo dipeptide]]~~	+
-	~~[[Category: Zinc metalloprotease~~]]	+

OCA at 05:43, 13 July 2022

2022-07-13T05:43:29Z

←Older revision		Revision as of 05:43, 13 July 2022
Line 1:		Line 1:

	==Human MMP12 in complex with L-glutamate motif inhibitor==		==Human MMP12 in complex with L-glutamate motif inhibitor==
-	<StructureSection load='3tsk' size='340' side='right' caption='[[3tsk]], [[Resolution\|resolution]] 2.00Å' scene=''>	+	<StructureSection load='3tsk' size='340' side='right'caption='[[3tsk]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3tsk]] 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=3TSK OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3TSK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3tsk]] is a 1 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=3TSK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TSK FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=QEG:N~2~-{3-[4-(4-PHENYLTHIOPHEN-2-YL)PHENYL]PROPANOYL}-L-GLUTAMINYL-L-ALPHA-GLUTAMINE'>QEG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=QEG:N~2~-{3-[4-(4-PHENYLTHIOPHEN-2-YL)PHENYL]PROPANOYL}-L-GLUTAMINYL-L-ALPHA-GLUTAMINE'>QEG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3ts4\|3ts4]], [[3lik\|3lik]], [[3lil\|3lil]], [[3lir\|3lir]], [[3ljg\|3ljg]], [[3tt4\|3tt4]], [[3tvc\|3tvc]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3ts4\|3ts4]], [[3lik\|3lik]], [[3lil\|3lil]], [[3lir\|3lir]], [[3ljg\|3ljg]], [[3tt4\|3tt4]], [[3tvc\|3tvc]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HME, MMP12 ([~~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">HME, MMP12 ([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/Macrophage_elastase Macrophage elastase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.65 3.4.24.65] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Macrophage_elastase Macrophage elastase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.65 3.4.24.65] </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=3tsk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tsk OCA], [~~http~~://pdbe.org/3tsk PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3tsk RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3tsk PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3tsk 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=3tsk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tsk OCA], [https://pdbe.org/3tsk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tsk RCSB], [https://www.ebi.ac.uk/pdbsum/3tsk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tsk ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/MMP12_HUMAN MMP12_HUMAN]] May be involved in tissue injury and remodeling. Has significant elastolytic activity. Can accept large and small amino acids at the P1' site, but has a preference for leucine. Aromatic or hydrophobic residues are preferred at the P1 site, with small hydrophobic residues (preferably alanine) occupying P3.	+	[[https://www.uniprot.org/uniprot/MMP12_HUMAN MMP12_HUMAN]] May be involved in tissue injury and remodeling. Has significant elastolytic activity. Can accept large and small amino acids at the P1' site, but has a preference for leucine. Aromatic or hydrophobic residues are preferred at the P1 site, with small hydrophobic residues (preferably alanine) occupying P3.
	<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==
-	*[[Matrix metalloproteinase\|Matrix metalloproteinase]]	+	*[[Matrix metalloproteinase 3D structures\|Matrix metalloproteinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 29:		Line 29:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Macrophage elastase]]		[[Category: Macrophage elastase]]
	[[Category: Beau, F]]		[[Category: Beau, F]]

OCA at 19:35, 4 August 2016

2016-08-04T19:35:21Z

←Older revision		Revision as of 19:35, 4 August 2016
Line 1:		Line 1:
		+
	==Human MMP12 in complex with L-glutamate motif inhibitor==		==Human MMP12 in complex with L-glutamate motif inhibitor==
	<StructureSection load='3tsk' size='340' side='right' caption='[[3tsk]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='3tsk' size='340' side='right' caption='[[3tsk]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3tsk]] is a 1 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=3TSK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TSK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3tsk]] 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=3TSK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TSK FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=QEG:N~2~-{3-[4-(4-PHENYLTHIOPHEN-2-YL)PHENYL]PROPANOYL}-L-GLUTAMINYL-L-ALPHA-GLUTAMINE'>QEG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=QEG:N~2~-{3-[4-(4-PHENYLTHIOPHEN-2-YL)PHENYL]PROPANOYL}-L-GLUTAMINYL-L-ALPHA-GLUTAMINE'>QEG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3ts4\|3ts4]], [[3lik\|3lik]], [[3lil\|3lil]], [[3lir\|3lir]], [[3ljg\|3ljg]], [[3tt4\|3tt4]], [[3tvc\|3tvc]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3ts4\|3ts4]], [[3lik\|3lik]], [[3lil\|3lil]], [[3lir\|3lir]], [[3ljg\|3ljg]], [[3tt4\|3tt4]], [[3tvc\|3tvc]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HME, MMP12 ([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">HME, MMP12 ([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/Macrophage_elastase Macrophage elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.65 3.4.24.65] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Macrophage_elastase Macrophage elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.65 3.4.24.65] </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=3tsk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tsk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tsk RCSB], [http://www.ebi.ac.uk/pdbsum/3tsk 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=3tsk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tsk OCA], [http://pdbe.org/3tsk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3tsk RCSB], [http://www.ebi.ac.uk/pdbsum/3tsk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3tsk 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 3tsk" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 26:		Line 28:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Macrophage elastase]]		[[Category: Macrophage elastase]]
	[[Category: Beau, F]]		[[Category: Beau, F]]

OCA at 18:50, 24 December 2014

2014-12-24T18:50:32Z

←Older revision		Revision as of 18:50, 24 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=3tsk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tsk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tsk RCSB], [http://www.ebi.ac.uk/pdbsum/3tsk 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=3tsk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tsk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tsk RCSB], [http://www.ebi.ac.uk/pdbsum/3tsk PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/MMP12_HUMAN MMP12_HUMAN]] May be involved in tissue injury and remodeling. Has significant elastolytic activity. Can accept large and small amino acids at the P1' site, but has a preference for leucine. Aromatic or hydrophobic residues are preferred at the P1 site, with small hydrophobic residues (preferably alanine) occupying P3.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 15:34, 9 December 2014

2014-12-09T15:34:20Z

←Older revision		Revision as of 15:34, 9 December 2014
Line 1:		Line 1:
-	[[~~Image:~~3tsk.~~png~~\|~~left~~\|~~200px~~]]	+	==Human MMP12 in complex with L-glutamate motif inhibitor==
		+	<StructureSection load='3tsk' size='340' side='right' caption='[[3tsk]], [[Resolution\|resolution]] 2.00Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3tsk]] is a 1 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=3TSK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TSK FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=QEG:N~2~-{3-[4-(4-PHENYLTHIOPHEN-2-YL)PHENYL]PROPANOYL}-L-GLUTAMINYL-L-ALPHA-GLUTAMINE'>QEG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3ts4\|3ts4]], [[3lik\|3lik]], [[3lil\|3lil]], [[3lir\|3lir]], [[3ljg\|3ljg]], [[3tt4\|3tt4]], [[3tvc\|3tvc]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HME, MMP12 ([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/Macrophage_elastase Macrophage elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.65 3.4.24.65] </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=3tsk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tsk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tsk RCSB], [http://www.ebi.ac.uk/pdbsum/3tsk PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	A series of pseudo-peptides with general formula X-l-Glu-NH(2) (with X corresponding to an acyl moiety with a long aryl-alkyl side chain) have been synthesized, evaluated as inhibitors of matrix metalloproteases (MMPs), and found to display remarkable nanomolar affinity. The loss in potency associated with a substitution of the P(2)' l-glutamate by a l-glutamine corroborates the importance of a carboxylate at this position. The binding mode of some of these inhibitors was characterized in solution and by x-ray crystallography in complex with various MMPs. The x-ray crystal structures reveal an unusual binding mode with the glutamate side chain chelating the active site zinc ion. Competition experiments between these inhibitors and acetohydroxamic acid, a small zinc-binding molecule, are in accord with the crystallographic results. One of these pseudo-dipeptides displays potency and selectivity toward MMP-12 similar to the best MMP-12 inhibitors reported to date. This novel family of pseudo peptides opens new opportunities to develop potent and selective inhibitors for several metzincins.

-	~~{{STRUCTURE_3tsk\| PDB=3tsk \| SCENE= }}~~	+	Simple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins.,Devel L, Beau F, Amoura M, Vera L, Cassar-Lajeunesse E, Garcia S, Czarny B, Stura EA, Dive V J Biol Chem. 2012 Aug 3;287(32):26647-56. Epub 2012 Jun 11. PMID:22689580<ref>PMID:22689580</ref>

-	~~===Human MMP12 in complex with L-glutamate motif inhibitor===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

-	~~{{ABSTRACT_PUBMED_22689580}}~~	+	==See Also==
-		+	*[[Matrix metalloproteinase\|Matrix metalloproteinase]]
-	==~~About this Structure~~==	+	== References ==
-	[[~~3tsk~~]] ~~is a 1 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=3TSK OCA].~~	+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Macrophage elastase]]		[[Category: Macrophage elastase]]
-	[[Category: Beau, F.]]	+	[[Category: Beau, F]]
-	[[Category: Czarny, B.]]	+	[[Category: Czarny, B]]
-	[[Category: Devel, L.]]	+	[[Category: Devel, L]]
-	[[Category: Dive, V.]]	+	[[Category: Dive, V]]
-	[[Category: Stura, E A.]]	+	[[Category: Stura, E A]]
-	[[Category: Vera, L.]]	+	[[Category: Vera, L]]
	[[Category: Hydrolase-hydrolase inhibitor complex]]		[[Category: Hydrolase-hydrolase inhibitor complex]]
	[[Category: Metzincin]]		[[Category: Metzincin]]

OCA at 05:55, 17 October 2012

2012-10-17T05:55:39Z

←Older revision		Revision as of 05:55, 17 October 2012
Line 1:		Line 1:
-	[[Image:3tsk.~~jpg~~\|left\|200px]]	+	[[Image:3tsk.png\|left\|200px]]

	{{STRUCTURE_3tsk\| PDB=3tsk \| SCENE= }}		{{STRUCTURE_3tsk\| PDB=3tsk \| SCENE= }}
Line 5:		Line 5:
	===Human MMP12 in complex with L-glutamate motif inhibitor===		===Human MMP12 in complex with L-glutamate motif inhibitor===

		+	{{ABSTRACT_PUBMED_22689580}}

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

OCA at 07:55, 20 June 2012

2012-06-20T07:55:38Z

←Older revision		Revision as of 07:55, 20 June 2012
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3tsk.jpg\|left\|200px]]

-	~~The entry~~ 3tsk ~~is ON HOLD~~ ~~until Paper Publication~~	+	{{STRUCTURE_3tsk\| PDB=3tsk \| SCENE= }}

-	~~Authors: Stura, E.A., Dive, V., Devel,~~ L~~., Czarny, B., Beau, F., Vera, L.~~	+	===Human MMP12 in complex with L-glutamate motif inhibitor===

-	~~Description: Human MMP12 in complex~~ with L-~~glutamate motif~~ inhibitor	+
		+	==About this Structure==
		+	[[3tsk]] is a 1 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=3TSK OCA].
		+	[[Category: Homo sapiens]]
		+	[[Category: Macrophage elastase]]
		+	[[Category: Beau, F.]]
		+	[[Category: Czarny, B.]]
		+	[[Category: Devel, L.]]
		+	[[Category: Dive, V.]]
		+	[[Category: Stura, E A.]]
		+	[[Category: Vera, L.]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
		+	[[Category: Metzincin]]
		+	[[Category: Potent inhibitor]]
		+	[[Category: Pseudo dipeptide]]
		+	[[Category: Zinc metalloprotease]]

OCA at 05:27, 23 May 2012

2012-05-23T05:27:03Z

←Older revision		Revision as of 05:27, 23 May 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3tsk is ON HOLD	+	The entry 3tsk is ON HOLD until Paper Publication

	Authors: Stura, E.A., Dive, V., Devel, L., Czarny, B., Beau, F., Vera, L.		Authors: Stura, E.A., Dive, V., Devel, L., Czarny, B., Beau, F., Vera, L.

	Description: Human MMP12 in complex with L-glutamate motif inhibitor		Description: Human MMP12 in complex with L-glutamate motif inhibitor

OCA at 08:35, 16 May 2012

2012-05-16T08:35:50Z

←Older revision		Revision as of 08:35, 16 May 2012
Line 5:		Line 5:
	Authors: Stura, E.A., Dive, V., Devel, L., Czarny, B., Beau, F., Vera, L.		Authors: Stura, E.A., Dive, V., Devel, L., Czarny, B., Beau, F., Vera, L.

-	Description: Human MMP12 in complex with ~~non~~-~~zinc chelating~~ inhibitor	+	Description: Human MMP12 in complex with L-glutamate motif inhibitor

OCA at 08:42, 30 October 2011

2011-10-30T08:42:42Z

←Older revision		Revision as of 08:42, 30 October 2011
Line 3:		Line 3:
	The entry 3tsk is ON HOLD		The entry 3tsk is ON HOLD

-	Authors: Stura, E.A. , Dive, V , Devel, L. , Czarny, B. , Beau, F. , Vera, L.	+	Authors: Stura, E.A., Dive, V., Devel, L., Czarny, B., Beau, F., Vera, L.

	Description: Human MMP12 in complex with non-zinc chelating inhibitor		Description: Human MMP12 in complex with non-zinc chelating inhibitor