6u6f - Revision history

OCA at 07:44, 11 October 2023

OCA — Wed, 11 Oct 2023 07:44:49 GMT

←Older revision		Revision as of 07:44, 11 October 2023
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	<StructureSection load='6u6f' size='340' side='right'caption='[[6u6f]], [[Resolution\|resolution]] 2.90Å' scene=''>		<StructureSection load='6u6f' size='340' side='right'caption='[[6u6f]], [[Resolution\|resolution]] 2.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6u6f]] is a 3 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=6U6F OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6U6F FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6u6f]] is a 3 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=6U6F OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6U6F FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=PZY:2~~-[~~({4-~~[~~(4-tert-butylphenyl)methyl~~]~~piperazin-1-yl}sulfonyl)amino~~]~~-5-[(~~2~~-phenylethyl)sulfanyl]benzoic+acid'>PZY</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]] 2.9Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"~~>[[6u63\|6u63]], [[6u64\|6u64]], [[6u65\|6u65]], [[6u67\|6u67]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PZY:2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic+acid'>PZY</scene></td></tr>
-	~~<tr~~ id~~='gene'><td class~~="~~sblockLbl~~"><b>[[~~Gene\|Gene:~~]]~~</b~~></td>~~<td class="sblockDat">MCL1, BCL2L3 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])~~</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=6u6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6u6f OCA], [https://pdbe.org/6u6f PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6u6f RCSB], [https://www.ebi.ac.uk/pdbsum/6u6f PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6u6f 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=6u6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6u6f OCA], [~~http~~://pdbe.org/6u6f PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6u6f RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6u6f PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6u6f ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/MCL1_HUMAN MCL1_HUMAN]] Involved in the regulation of apoptosis versus cell survival, and in the maintenance of viability but not of proliferation. Mediates its effects by interactions with a number of other regulators of apoptosis. Isoform 1 inhibits apoptosis. Isoform 2 promotes apoptosis.<ref>PMID:10766760</ref>	+	[https://www.uniprot.org/uniprot/MCL1_HUMAN MCL1_HUMAN] Involved in the regulation of apoptosis versus cell survival, and in the maintenance of viability but not of proliferation. Mediates its effects by interactions with a number of other regulators of apoptosis. Isoform 1 inhibits apoptosis. Isoform 2 promotes apoptosis.<ref>PMID:10766760</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 6u6f" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6u6f" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[B-cell lymphoma proteins 3D structures\|B-cell lymphoma proteins 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Nikolovska-Coleska, Z]]	+	[[Category: Nikolovska-Coleska Z]]
-	[[Category: Stuckey~~, J A~~]]	+	[[Category: Stuckey JA]]
-	[[Category: Yang, Y]]	+	[[Category: Yang Y]]
-	~~[[Category: Apoptosis]]~~	+
-	~~[[Category: Apoptosis-inhibitor complex]]~~	+
-	~~[[Category: Bfl1/a1]]~~	+
-	~~[[Category: Bh3 mimetic]]~~	+
-	~~[[Category: Cancer]]~~	+
-	~~[[Category: Mcl1]]~~	+
-	~~[[Category: Protein-protein interaction~~]]	+

OCA at 10:47, 27 March 2020

OCA — Fri, 27 Mar 2020 10:47:19 GMT

←Older revision		Revision as of 10:47, 27 March 2020
Line 3:		Line 3:
	<StructureSection load='6u6f' size='340' side='right'caption='[[6u6f]], [[Resolution\|resolution]] 2.90Å' scene=''>		<StructureSection load='6u6f' size='340' side='right'caption='[[6u6f]], [[Resolution\|resolution]] 2.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6u6f]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6U6F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6U6F FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6u6f]] is a 3 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=6U6F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6U6F FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PZY:2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic+acid'>PZY</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PZY:2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic+acid'>PZY</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6u63\|6u63]], [[6u64\|6u64]], [[6u65\|6u65]], [[6u67\|6u67]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6u63\|6u63]], [[6u64\|6u64]], [[6u65\|6u65]], [[6u67\|6u67]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">MCL1, BCL2L3 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=6u6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6u6f OCA], [http://pdbe.org/6u6f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6u6f RCSB], [http://www.ebi.ac.uk/pdbsum/6u6f PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6u6f 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=6u6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6u6f OCA], [http://pdbe.org/6u6f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6u6f RCSB], [http://www.ebi.ac.uk/pdbsum/6u6f PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6u6f ProSAT]</span></td></tr>
	</table>		</table>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Nikolovska-Coleska, Z]]		[[Category: Nikolovska-Coleska, Z]]

OCA at 06:55, 4 March 2020

OCA — Wed, 04 Mar 2020 06:55:16 GMT

←Older revision		Revision as of 06:55, 4 March 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	The ~~entry~~ 6u6f is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21==
		+	<StructureSection load='6u6f' size='340' side='right'caption='[[6u6f]], [[Resolution\|resolution]] 2.90Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6u6f]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6U6F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6U6F FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PZY:2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic+acid'>PZY</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6u63\|6u63]], [[6u64\|6u64]], [[6u65\|6u65]], [[6u67\|6u67]]</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=6u6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6u6f OCA], [http://pdbe.org/6u6f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6u6f RCSB], [http://www.ebi.ac.uk/pdbsum/6u6f PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6u6f ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/MCL1_HUMAN MCL1_HUMAN]] Involved in the regulation of apoptosis versus cell survival, and in the maintenance of viability but not of proliferation. Mediates its effects by interactions with a number of other regulators of apoptosis. Isoform 1 inhibits apoptosis. Isoform 2 promotes apoptosis.<ref>PMID:10766760</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Anti-apoptotic Bcl-2 family proteins are overexpressed in a wide spectrum of cancers and have become well validated therapeutic targets. Cancer cells display survival dependence on individual or subsets of anti-apoptotic proteins that could be effectively targeted by multimodal inhibitors. We designed a 2,5-substituted benzoic acid scaffold that displayed equipotent binding to Mcl-1 and Bfl-1. Structure-based design was guided by several solved cocrystal structures with Mcl-1, leading to the development of compound 24, which binds both Mcl-1 and Bfl-1 with Ki values of 100 nM and shows appreciable selectivity over Bcl-2/Bcl-xL. The selective binding profile of 24 was translated to on-target cellular activity in model lymphoma cell lines. These studies lay a foundation for developing more advanced dual Mcl-1/Bfl-1 inhibitors that have potential to provide greater single agent efficacy and broader coverage to combat resistance in several types of cancer than selective Mcl-1 inhibitors alone.

-	~~Authors~~:	+	Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.,Kump KJ, Miao L, Mady ASA, Ansari NH, Shrestha UK, Yang Y, Pal M, Liao C, Perdih A, Abulwerdi FA, Chinnaswamy K, Meagher JL, Carlson JM, Khanna M, Stuckey JA, Nikolovska-Coleska Z J Med Chem. 2020 Feb 14. doi: 10.1021/acs.jmedchem.9b01442. PMID:31971799<ref>PMID:31971799</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 6u6f" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Nikolovska-Coleska, Z]]
		+	[[Category: Stuckey, J A]]
		+	[[Category: Yang, Y]]
		+	[[Category: Apoptosis]]
		+	[[Category: Apoptosis-inhibitor complex]]
		+	[[Category: Bfl1/a1]]
		+	[[Category: Bh3 mimetic]]
		+	[[Category: Cancer]]
		+	[[Category: Mcl1]]
		+	[[Category: Protein-protein interaction]]

OCA: Protected "6u6f" [edit=sysop:move=sysop]

OCA — Wed, 02 Oct 2019 08:17:29 GMT

Protected "6u6f" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:17, 2 October 2019

OCA: New page: '''Unreleased structure''' The entry 6u6f is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

OCA — Wed, 02 Oct 2019 08:17:27 GMT

New page: '''Unreleased structure''' The entry 6u6f is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6u6f is ON HOLD until Paper Publication

Authors:

Description:
[[Category: Unreleased Structures]]