2ftd - Revision history

OCA at 15:33, 3 March 2021

2021-03-03T15:33:13Z

← Older revision		Revision as of 15:33, 3 March 2021
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	==Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound==		==Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound==
	<StructureSection load='2ftd' size='340' side='right' caption='[[2ftd]], [[Resolution\|resolution]] 2.55Å' scene=''>		<StructureSection load='2ftd' size='340' side='right'caption='[[2ftd]], [[Resolution\|resolution]] 2.55Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2ftd]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Macmu Macmu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FTD OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2FTD FirstGlance]. <br>		<table><tr><td colspan='2'>[[2ftd]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Macmu Macmu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FTD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2FTD FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ILI:N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE'>ILI</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ILI:N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE'>ILI</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1au0\|1au0]], [[1au2\|1au2]], [[1au3\|1au3]], [[1au4\|1au4]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1au0\|1au0]], [[1au2\|1au2]], [[1au3\|1au3]], [[1au4\|1au4]]</div></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CTSK ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9544 MACMU])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CTSK ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9544 MACMU])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Cathepsin_K Cathepsin K], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.38 3.4.22.38] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Cathepsin_K Cathepsin K], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.38 3.4.22.38] </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=2ftd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ftd OCA], [~~http~~://pdbe.org/2ftd PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2ftd RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2ftd PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2ftd 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=2ftd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ftd OCA], [https://pdbe.org/2ftd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ftd RCSB], [https://www.ebi.ac.uk/pdbsum/2ftd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ftd ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[~~http~~://www.uniprot.org/uniprot/CATK_MACMU CATK_MACMU]] Closely involved in osteoclastic bone resorption and may participate partially in the disorder of bone remodeling. Displays potent endoprotease activity against fibrinogen at acid pH. May play an important role in extracellular matrix degradation (By similarity).		[[https://www.uniprot.org/uniprot/CATK_MACMU CATK_MACMU]] Closely involved in osteoclastic bone resorption and may participate partially in the disorder of bone remodeling. Displays potent endoprotease activity against fibrinogen at acid pH. May play an important role in extracellular matrix degradation (By similarity).
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	==See Also==		==See Also==
	*[[Cathepsin\|Cathepsin]]		*[[Cathepsin 3D structures\|Cathepsin 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Cathepsin K]]		[[Category: Cathepsin K]]
			[[Category: Large Structures]]
	[[Category: Macmu]]		[[Category: Macmu]]
	[[Category: Baoguang, Z]]		[[Category: Baoguang, Z]]

OCA at 07:10, 20 June 2018

2018-06-20T07:10:55Z

← Older revision		Revision as of 07:10, 20 June 2018
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	==Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound==		==Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound==
	<StructureSection load='2ftd' size='340' side='right' caption='[[2ftd]], [[Resolution\|resolution]] 2.55Å' scene=''>		<StructureSection load='2ftd' size='340' side='right' caption='[[2ftd]], [[Resolution\|resolution]] 2.55Å' scene=''>
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	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CTSK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9544 MACMU])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CTSK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9544 MACMU])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_K Cathepsin K], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.38 3.4.22.38] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_K Cathepsin K], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.38 3.4.22.38] </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=2ftd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ftd OCA], [http://pdbe.org/2ftd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2ftd RCSB], [http://www.ebi.ac.uk/pdbsum/2ftd 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=2ftd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ftd OCA], [http://pdbe.org/2ftd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2ftd RCSB], [http://www.ebi.ac.uk/pdbsum/2ftd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2ftd ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ft/2ftd_consurf.spt"</scriptWhenChecked>		<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ft/2ftd_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].		</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2ftd ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 15:24, 11 September 2015

2015-09-11T15:24:42Z

← Older revision		Revision as of 15:24, 11 September 2015
Line 2:		Line 2:
	<StructureSection load='2ftd' size='340' side='right' caption='[[2ftd]], [[Resolution\|resolution]] 2.55Å' scene=''>		<StructureSection load='2ftd' size='340' side='right' caption='[[2ftd]], [[Resolution\|resolution]] 2.55Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2ftd]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Macaca_mulatta Macaca mulatta~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FTD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2FTD FirstGlance]. <br>		<table><tr><td colspan='2'>[[2ftd]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Macmu Macmu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FTD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2FTD FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ILI:N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE'>ILI</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ILI:N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE'>ILI</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1au0\|1au0]], [[1au2\|1au2]], [[1au3\|1au3]], [[1au4\|1au4]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1au0\|1au0]], [[1au2\|1au2]], [[1au3\|1au3]], [[1au4\|1au4]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CTSK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9544 ~~Macaca mulatta~~])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CTSK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9544 MACMU])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_K Cathepsin K], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.38 3.4.22.38] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_K Cathepsin K], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.38 3.4.22.38] </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=2ftd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ftd OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2ftd RCSB], [http://www.ebi.ac.uk/pdbsum/2ftd 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=2ftd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ftd OCA], [http://pdbe.org/2ftd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2ftd RCSB], [http://www.ebi.ac.uk/pdbsum/2ftd PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	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 2ftd" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
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	</StructureSection>		</StructureSection>
	[[Category: Cathepsin K]]		[[Category: Cathepsin K]]
	[[Category: ~~Macaca mulatta~~]]		[[Category: Macmu]]
	[[Category: Baoguang, Z]]		[[Category: Baoguang, Z]]
	[[Category: Yamashita, D S]]		[[Category: Yamashita, D S]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Sulfhydryl proteinase]]		[[Category: Sulfhydryl proteinase]]

OCA at 18:21, 25 December 2014

2014-12-25T18:21:48Z

← Older revision		Revision as of 18:21, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2ftd]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Macaca_mulatta Macaca mulatta]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FTD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2FTD FirstGlance]. <br>		<table><tr><td colspan='2'>[[2ftd]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Macaca_mulatta Macaca mulatta]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FTD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2FTD FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ILI:N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE'>ILI</scene><br>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ILI:N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE'>ILI</scene></td></tr>
	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1au0\|1au0]], [[1au2\|1au2]], [[1au3\|1au3]], [[1au4\|1au4]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1au0\|1au0]], [[1au2\|1au2]], [[1au3\|1au3]], [[1au4\|1au4]]</td></tr>
	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CTSK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9544 Macaca mulatta])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CTSK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9544 Macaca mulatta])</td></tr>
	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_K Cathepsin K], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.38 3.4.22.38] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_K Cathepsin K], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.38 3.4.22.38] </span></td></tr>
	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ftd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ftd OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2ftd RCSB], [http://www.ebi.ac.uk/pdbsum/2ftd 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=2ftd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ftd OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2ftd RCSB], [http://www.ebi.ac.uk/pdbsum/2ftd PDBsum]</span></td></tr>
	<table>		</table>
			== Function ==
			[[http://www.uniprot.org/uniprot/CATK_MACMU CATK_MACMU]] Closely involved in osteoclastic bone resorption and may participate partially in the disorder of bone remodeling. Displays potent endoprotease activity against fibrinogen at acid pH. May play an important role in extracellular matrix degradation (By similarity).
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	[[Category: Cathepsin K]]		[[Category: Cathepsin K]]
	[[Category: Macaca mulatta]]		[[Category: Macaca mulatta]]
	[[Category: Baoguang, Z.]]		[[Category: Baoguang, Z]]
	[[Category: Yamashita, D S.]]		[[Category: Yamashita, D S]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Sulfhydryl proteinase]]		[[Category: Sulfhydryl proteinase]]

OCA at 05:47, 29 September 2014

2014-09-29T05:47:41Z

← Older revision		Revision as of 05:47, 29 September 2014
Line 1:		Line 1:
	[[Image:~~2ftd~~.~~png~~\|~~left~~\|~~200px~~]]		==Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound==
			<StructureSection load='2ftd' size='340' side='right' caption='[[2ftd]], [[Resolution\|resolution]] 2.55Å' scene=''>
			== Structural highlights ==
			<table><tr><td colspan='2'>[[2ftd]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Macaca_mulatta Macaca mulatta]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FTD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2FTD FirstGlance]. <br>
			</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ILI:N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE'>ILI</scene><br>
			<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1au0\|1au0]], [[1au2\|1au2]], [[1au3\|1au3]], [[1au4\|1au4]]</td></tr>
			<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CTSK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9544 Macaca mulatta])</td></tr>
			<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_K Cathepsin K], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.38 3.4.22.38] </span></td></tr>
			<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ftd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ftd OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2ftd RCSB], [http://www.ebi.ac.uk/pdbsum/2ftd PDBsum]</span></td></tr>
			<table>
			== Evolutionary Conservation ==
			[[Image:Consurf_key_small.gif\|200px\|right]]
			Check<jmol>
			<jmolCheckbox>
			<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ft/2ftd_consurf.spt"</scriptWhenChecked>
			<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
			<text>to colour the structure by Evolutionary Conservation</text>
			</jmolCheckbox>
			</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
			<div style="clear:both"></div>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			The syntheses, in vitro characterizations, and rat and monkey in vivo pharmacokinetic profiles of a series of 5-, 6-, and 7-methyl-substituted azepanone-based cathepsin K inhibitors are described. Depending on the particular regiochemical substitution and stereochemical configuration, methyl-substituted azepanones were identified that had widely varied cathepsin K inhibitory potency as well as pharmacokinetic properties compared to the 4S-parent azepanone analogue, 1 (human cathepsin K, K(i,app) = 0.16 nM, rat oral bioavailability = 42%, rat in vivo clearance = 49.2 mL/min/kg). Of particular note, the 4S-7-cis-methylazepanone analogue, 10, had a K(i,app) = 0.041 nM vs human cathepsin K and 89% oral bioavailability and an in vivo clearance rate of 19.5 mL/min/kg in the rat. Hypotheses that rationalize some of the observed characteristics of these closely related analogues have been made using X-ray crystallography and conformational analysis. These examples demonstrate the potential for modulation of pharmacological properties of cathepsin inhibitors by substituting the azepanone core. The high potency for inhibition of cathepsin K coupled with the favorable rat and monkey pharmacokinetic characteristics of compound 10, also known as SB-462795 or relacatib, has made it the subject of considerable in vivo evaluation for safety and efficacy as an inhibitor of excessive bone resorption in rat, monkey, and human studies, which will be reported elsewhere.

	~~{{STRUCTURE_2ftd\| PDB=2ftd \| SCENE= }}~~		Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.,Yamashita DS, Marquis RW, Xie R, Nidamarthy SD, Oh HJ, Jeong JU, Erhard KF, Ward KW, Roethke TJ, Smith BR, Cheng HY, Geng X, Lin F, Offen PH, Wang B, Nevins N, Head MS, Haltiwanger RC, Narducci Sarjeant AA, Liable-Sands LM, Zhao B, Smith WW, Janson CA, Gao E, Tomaszek T, McQueney M, James IE, Gress CJ, Zembryki DL, Lark MW, Veber DF J Med Chem. 2006 Mar 9;49(5):1597-612. PMID:16509577<ref>PMID:16509577</ref>

	~~===Crystal structure~~ of ~~Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound===~~		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
	~~{{ABSTRACT_PUBMED_16509577}}~~

	~~==About this Structure==~~
	~~[[2ftd]] is a 2 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Macaca_mulatta Macaca mulatta]~~. ~~Full crystallographic information is available from [http://oca.weizmann.ac.il~~/~~oca-bin/ocashort?id=2FTD OCA].~~

	==See Also==		==See Also==
	*[[Cathepsin\|Cathepsin]]		*[[Cathepsin\|Cathepsin]]
			== References ==
	==~~Reference~~==		<references/>
	<~~ref group="xtra">PMID:016509577<~~/~~ref~~><~~references group="xtra"~~/>		__TOC__
			</StructureSection>
	[[Category: Cathepsin K]]		[[Category: Cathepsin K]]
	[[Category: Macaca mulatta]]		[[Category: Macaca mulatta]]

OCA at 19:55, 20 October 2012

2012-10-20T19:55:18Z

← Older revision		Revision as of 19:55, 20 October 2012
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	==About this Structure==		==About this Structure==
	[[2ftd]] is a 2 chain structure ~~of [[Cathepsin]]~~ with sequence from [http://en.wikipedia.org/wiki/Macaca_mulatta Macaca mulatta]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FTD OCA].		[[2ftd]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Macaca_mulatta Macaca mulatta]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FTD OCA].

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

OCA: Protected "2ftd" [edit=sysop:move=sysop]

2012-07-27T08:53:32Z

Protected "2ftd" [edit=sysop:move=sysop]

← Older revision	Revision as of 08:53, 27 July 2012
(No difference)

OCA at 08:53, 27 July 2012

2012-07-27T08:53:30Z

← Older revision		Revision as of 08:53, 27 July 2012
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	~~{{Seed}}~~
	[[Image:2ftd.png\|left\|200px]]		[[Image:2ftd.png\|left\|200px]]

	~~<!--~~
	~~The line below this paragraph, containing "STRUCTURE_2ftd", 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_2ftd\| PDB=2ftd \| SCENE= }}		{{STRUCTURE_2ftd\| PDB=2ftd \| SCENE= }}

	===Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound===		===Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound===


	~~<!--~~
	~~The line below this paragraph, {{ABSTRACT_PUBMED_16509577}}, adds the Publication Abstract to the page~~
	~~(as it appears on PubMed at http://www.pubmed.gov), where 16509577 is the PubMed ID number.~~
	~~-->~~
	{{ABSTRACT_PUBMED_16509577}}		{{ABSTRACT_PUBMED_16509577}}

	==About this Structure==		==About this Structure==
	~~2FTD~~ is a 2 ~~chains~~ structure of ~~sequences~~ from [http://en.wikipedia.org/wiki/Macaca_mulatta Macaca mulatta]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FTD OCA].		[[2ftd]] is a 2 chain structure of [[Cathepsin]] with sequence from [http://en.wikipedia.org/wiki/Macaca_mulatta Macaca mulatta]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FTD OCA].

			==See Also==
			*[[Cathepsin\|Cathepsin]]

	==Reference==		==Reference==
	<ref group="xtra">PMID:~~16509577~~</ref><references group="xtra"/>		<ref group="xtra">PMID:016509577</ref><references group="xtra"/>
	[[Category: Cathepsin K]]		[[Category: Cathepsin K]]
	[[Category: Macaca mulatta]]		[[Category: Macaca mulatta]]
Line 30:		Line 21:
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Sulfhydryl proteinase]]		[[Category: Sulfhydryl proteinase]]

	~~''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Apr 29 20:36:29 2009''~~

OCA at 17:36, 29 April 2009

2009-04-29T17:36:30Z

← Older revision		Revision as of 17:36, 29 April 2009
Line 12:		Line 12:
	===Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound===		===Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound===


			<!--
			The line below this paragraph, {{ABSTRACT_PUBMED_16509577}}, adds the Publication Abstract to the page
			(as it appears on PubMed at http://www.pubmed.gov), where 16509577 is the PubMed ID number.
			-->
			{{ABSTRACT_PUBMED_16509577}}

	==About this Structure==		==About this Structure==
	2FTD is a 2 chains structure of sequences from [http://en.wikipedia.org/wiki/Macaca_mulatta Macaca mulatta]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FTD OCA].		2FTD is a 2 chains structure of sequences from [http://en.wikipedia.org/wiki/Macaca_mulatta Macaca mulatta]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FTD OCA].

			==Reference==
			<ref group="xtra">PMID:16509577</ref><references group="xtra"/>
	[[Category: Cathepsin K]]		[[Category: Cathepsin K]]
	[[Category: Macaca mulatta]]		[[Category: Macaca mulatta]]
Line 22:		Line 31:
	[[Category: Sulfhydryl proteinase]]		[[Category: Sulfhydryl proteinase]]

	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Feb 18 02~~:02:35 2009''		''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Apr 29 20:36:29 2009''

OCA at 00:02, 18 February 2009

2009-02-18T00:02:36Z

← Older revision		Revision as of 00:02, 18 February 2009
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	[[Image:2ftd.~~jpg~~\|left\|200px]]		{{Seed}}
			[[Image:2ftd.png\|left\|200px]]

	<!--		<!--
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	{{STRUCTURE_2ftd\| PDB=2ftd \| SCENE= }}		{{STRUCTURE_2ftd\| PDB=2ftd \| SCENE= }}

	~~'''~~Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound~~'''~~		===Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound===


	==About this Structure==		==About this Structure==
	2FTD is a ~~[[Single protein]]~~ structure of ~~sequence~~ from [http://en.wikipedia.org/wiki/Macaca_mulatta Macaca mulatta]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FTD OCA].		2FTD is a 2 chains structure of sequences from [http://en.wikipedia.org/wiki/Macaca_mulatta Macaca mulatta]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FTD OCA].
	[[Category: Cathepsin K]]		[[Category: Cathepsin K]]
	[[Category: Macaca mulatta]]		[[Category: Macaca mulatta]]
	~~[[Category: Single protein]]~~
	[[Category: Baoguang, Z.]]		[[Category: Baoguang, Z.]]
	[[Category: Yamashita, D S.]]		[[Category: Yamashita, D S.]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Sulfhydryl proteinase]]		[[Category: Sulfhydryl proteinase]]
	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Sun May 4 04~~:17:~~30 2008~~''
			''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 18 02:02:35 2009''