6cl2 - Revision history

OCA at 11:20, 23 September 2020

OCA — Wed, 23 Sep 2020 11:20:54 GMT

←Older revision		Revision as of 11:20, 23 September 2020
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	<StructureSection load='6cl2' size='340' side='right'caption='[[6cl2]], [[Resolution\|resolution]] 2.35Å' scene=''>		<StructureSection load='6cl2' size='340' side='right'caption='[[6cl2]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6cl2]] 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=6CL2 OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6CL2 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6cl2]] 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=6CL2 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6CL2 FirstGlance]. <br>
	</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=1MH:3-PYRIDIN-3-YL-L-ALANINE'>1MH</scene>, <scene name='pdbligand=1U8:(3S)-3-AMINO-5-[(2,6-DIMETHYLBENZOYL)OXY]-4-OXOPENTANOIC+ACID'>1U8</scene>, <scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=PF5:2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE'>PF5</scene></td></tr>		</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=1MH:3-PYRIDIN-3-YL-L-ALANINE'>1MH</scene>, <scene name='pdbligand=1U8:(3S)-3-AMINO-5-[(2,6-DIMETHYLBENZOYL)OXY]-4-OXOPENTANOIC+ACID'>1U8</scene>, <scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=PF5:2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE'>PF5</scene></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CASP7, MCH3 ([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">CASP7, MCH3 ([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/Caspase-7 Caspase-7], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.60 3.4.22.60] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Caspase-7 Caspase-7], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.60 3.4.22.60] </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=6cl2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cl2 OCA], [http://pdbe.org/6cl2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6cl2 RCSB], [http://www.ebi.ac.uk/pdbsum/6cl2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6cl2 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=6cl2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cl2 OCA], [http://pdbe.org/6cl2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6cl2 RCSB], [http://www.ebi.ac.uk/pdbsum/6cl2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6cl2 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/CASP7_HUMAN CASP7_HUMAN]] Involved in the activation cascade of caspases responsible for apoptosis execution. Cleaves and activates sterol regulatory element binding proteins (SREBPs). Proteolytically cleaves poly(ADP-ribose) polymerase (PARP) at a '216-Asp-\|-Gly-217' bond. Overexpression promotes programmed cell death.		[[http://www.uniprot.org/uniprot/CASP7_HUMAN CASP7_HUMAN]] Involved in the activation cascade of caspases responsible for apoptosis execution. Cleaves and activates sterol regulatory element binding proteins (SREBPs). Proteolytically cleaves poly(ADP-ribose) polymerase (PARP) at a '216-Asp-\|-Gly-217' bond. Overexpression promotes programmed cell death.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Individual roles and overlapping functionalities of 12 human caspases during apoptosis and other cellular processes remain poorly resolved primarily due to a lack of chemical tools. Here we present a new selective caspase-3 inhibitor, termed Ac-ATS010-KE, with rapid and irreversible binding kinetics. Relative to previously designed caspase-3-selective molecules that have tremendously abated inhibitory rates and thus limited use in biological settings, the improved kinetics of Ac-ATS010-KE permits its use in a cell-based capacity. We demonstrate that Ac-ATS010-KE prevents apoptosis with comparable efficacy to the general caspase inhibitor Ac-DEVD-KE and surprisingly does so without side-chain methylation. This observation is in contrast to the well-established peptide modification strategy typically employed for improving cellular permeability. Ac-ATS010-KE protects against extrinsic apoptosis, which demonstrates the utility of a thiophene carboxylate leaving group in biological settings, challenges the requisite neutralization of free carboxylic acids to improve cell permeability, and provides a tool-like compound to interrogate the role of caspase-3 in a variety of cellular processes.
		+
		+	Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.,Solania A, Gonzalez-Paez GE, Wolan DW ACS Chem Biol. 2019 Nov 15;14(11):2463-2470. doi: 10.1021/acschembio.9b00564., Epub 2019 Aug 1. PMID:31334631<ref>PMID:31334631</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6cl2" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Caspase 3D structures\|Caspase 3D structures]]		*[[Caspase 3D structures\|Caspase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 07:43, 6 November 2019

OCA — Wed, 06 Nov 2019 07:43:51 GMT

←Older revision		Revision as of 07:43, 6 November 2019
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	==Caspase-7 in complex with Ac-ATS009-KE==		==Caspase-7 in complex with Ac-ATS009-KE==
-	<StructureSection load='6cl2' size='340' side='right' caption='[[6cl2]], [[Resolution\|resolution]] 2.35Å' scene=''>	+	<StructureSection load='6cl2' size='340' side='right'caption='[[6cl2]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6cl2]] is a 6 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CL2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6CL2 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6cl2]] 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=6CL2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6CL2 FirstGlance]. <br>
	</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=1MH:3-PYRIDIN-3-YL-L-ALANINE'>1MH</scene>, <scene name='pdbligand=1U8:(3S)-3-AMINO-5-[(2,6-DIMETHYLBENZOYL)OXY]-4-OXOPENTANOIC+ACID'>1U8</scene>, <scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=PF5:2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE'>PF5</scene></td></tr>		</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=1MH:3-PYRIDIN-3-YL-L-ALANINE'>1MH</scene>, <scene name='pdbligand=1U8:(3S)-3-AMINO-5-[(2,6-DIMETHYLBENZOYL)OXY]-4-OXOPENTANOIC+ACID'>1U8</scene>, <scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=PF5:2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE'>PF5</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CASP7, MCH3 ([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/Caspase-7 Caspase-7], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.60 3.4.22.60] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Caspase-7 Caspase-7], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.60 3.4.22.60] </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=6cl2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cl2 OCA], [http://pdbe.org/6cl2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6cl2 RCSB], [http://www.ebi.ac.uk/pdbsum/6cl2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6cl2 ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6cl2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cl2 OCA], [http://pdbe.org/6cl2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6cl2 RCSB], [http://www.ebi.ac.uk/pdbsum/6cl2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6cl2 ProSAT]</span></td></tr>
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	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/CASP7_HUMAN CASP7_HUMAN]] Involved in the activation cascade of caspases responsible for apoptosis execution. Cleaves and activates sterol regulatory element binding proteins (SREBPs). Proteolytically cleaves poly(ADP-ribose) polymerase (PARP) at a '216-Asp-\|-Gly-217' bond. Overexpression promotes programmed cell death.		[[http://www.uniprot.org/uniprot/CASP7_HUMAN CASP7_HUMAN]] Involved in the activation cascade of caspases responsible for apoptosis execution. Cleaves and activates sterol regulatory element binding proteins (SREBPs). Proteolytically cleaves poly(ADP-ribose) polymerase (PARP) at a '216-Asp-\|-Gly-217' bond. Overexpression promotes programmed cell death.
		+
		+	==See Also==
		+	*[[Caspase 3D structures\|Caspase 3D structures]]
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Caspase-7]]		[[Category: Caspase-7]]
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Gonzalez-Paez, G E]]		[[Category: Gonzalez-Paez, G E]]
	[[Category: Solania, A T]]		[[Category: Solania, A T]]

OCA at 07:26, 6 March 2019

OCA — Wed, 06 Mar 2019 07:26:36 GMT

←Older revision		Revision as of 07:26, 6 March 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6cl2 ~~is ON HOLD~~ ~~until Paper Publication~~	+	==Caspase-7 in complex with Ac-ATS009-KE==
-		+	<StructureSection load='6cl2' size='340' side='right' caption='[[6cl2]], [[Resolution\|resolution]] 2.35Å' scene=''>
-	~~Authors~~: ~~Solania, A~~.T.~~, Gonzalez~~-~~Paez, G~~.E.~~, Wolan, D~~.W.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6cl2]] is a 6 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CL2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6CL2 FirstGlance]. <br>
-	~~Description~~: Caspase-7 ~~in complex~~ with Ac-~~ATS009~~-KE	+	</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=1MH:3-PYRIDIN-3-YL-L-ALANINE'>1MH</scene>, <scene name='pdbligand=1U8:(3S)-3-AMINO-5-[(2,6-DIMETHYLBENZOYL)OXY]-4-OXOPENTANOIC+ACID'>1U8</scene>, <scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=PF5:2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE'>PF5</scene></td></tr>
-	[[~~Category~~: ~~Unreleased Structures~~]]	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Caspase-7 Caspase-7], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.60 3.4.22.60] </span></td></tr>
-	[[Category: ~~Wolan, D.W~~]]	+	<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=6cl2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cl2 OCA], [http://pdbe.org/6cl2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6cl2 RCSB], [http://www.ebi.ac.uk/pdbsum/6cl2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6cl2 ProSAT]</span></td></tr>
-	[[Category: Gonzalez-Paez, G.E]]	+	</table>
-	[[Category: Solania, A.T]]	+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CASP7_HUMAN CASP7_HUMAN]] Involved in the activation cascade of caspases responsible for apoptosis execution. Cleaves and activates sterol regulatory element binding proteins (SREBPs). Proteolytically cleaves poly(ADP-ribose) polymerase (PARP) at a '216-Asp-\|-Gly-217' bond. Overexpression promotes programmed cell death.
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Caspase-7]]
		+	[[Category: Gonzalez-Paez, G E]]
		+	[[Category: Solania, A T]]
		+	[[Category: Wolan, D W]]
		+	[[Category: Apoptosis]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]

OCA at 06:08, 21 March 2018

OCA — Wed, 21 Mar 2018 06:08:21 GMT

←Older revision		Revision as of 06:08, 21 March 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6cl2 is ON HOLD	+	The entry 6cl2 is ON HOLD until Paper Publication

	Authors: Solania, A.T., Gonzalez-Paez, G.E., Wolan, D.W.		Authors: Solania, A.T., Gonzalez-Paez, G.E., Wolan, D.W.

OCA at 05:07, 14 March 2018

OCA — Wed, 14 Mar 2018 05:07:03 GMT

←Older revision		Revision as of 05:07, 14 March 2018
Line 5:		Line 5:
	Authors: Solania, A.T., Gonzalez-Paez, G.E., Wolan, D.W.		Authors: Solania, A.T., Gonzalez-Paez, G.E., Wolan, D.W.

-	Description: ~~Human caspase~~-3 in complex with Ac-~~DW3~~-KE	+	Description: Caspase-7 in complex with Ac-ATS009-KE
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
		+	[[Category: Wolan, D.W]]
	[[Category: Gonzalez-Paez, G.E]]		[[Category: Gonzalez-Paez, G.E]]
	[[Category: Solania, A.T]]		[[Category: Solania, A.T]]
-	[[Category: Wolan, D.W]]

OCA: Protected "6cl2" [edit=sysop:move=sysop]

OCA — Thu, 08 Mar 2018 03:52:12 GMT

Protected "6cl2" [edit=sysop:move=sysop]

←Older revision

Revision as of 03:52, 8 March 2018

OCA: New page: '''Unreleased structure''' The entry 6cl2 is ON HOLD Authors: Solania, A.T., Gonzalez-Paez, G.E., Wolan, D.W. Description: Human caspase-3 in complex with Ac-DW3-KE [[Category: Unrelea...

OCA — Thu, 08 Mar 2018 03:52:10 GMT

New page: '''Unreleased structure''' The entry 6cl2 is ON HOLD Authors: Solania, A.T., Gonzalez-Paez, G.E., Wolan, D.W. Description: Human caspase-3 in complex with Ac-DW3-KE [[Category: Unrelea...

New page

'''Unreleased structure'''

The entry 6cl2 is ON HOLD

Authors: Solania, A.T., Gonzalez-Paez, G.E., Wolan, D.W.

Description: Human caspase-3 in complex with Ac-DW3-KE
[[Category: Unreleased Structures]]
[[Category: Gonzalez-Paez, G.E]]
[[Category: Solania, A.T]]
[[Category: Wolan, D.W]]