5fdr - Revision history

OCA at 06:47, 19 July 2023

OCA — Wed, 19 Jul 2023 06:47:33 GMT

←Older revision		Revision as of 06:47, 19 July 2023
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	<StructureSection load='5fdr' size='340' side='right'caption='[[5fdr]], [[Resolution\|resolution]] 2.60Å' scene=''>		<StructureSection load='5fdr' size='340' side='right'caption='[[5fdr]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5fdr]] is a 4 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=5FDR OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5FDR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5fdr]] is a 4 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=5FDR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5FDR FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5X3:5-[[6-CHLORANYL-3-[3-(4-CHLORANYL-3,5-DIMETHYL-PHENOXY)PROPYL]-7-(3,5-DIMETHYL-1~{H}-PYRAZOL-4-YL)-1~{H}-INDOL-2-YL]CARBONYLSULFAMOYL]FURAN-2-CARBOXYLIC+ACID'>5X3</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]] 2.6Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4hw2\|4hw2]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5X3:5-[[6-CHLORANYL-3-[3-(4-CHLORANYL-3,5-DIMETHYL-PHENOXY)PROPYL]-7-(3,5-DIMETHYL-1~{H}-PYRAZOL-4-YL)-1~{H}-INDOL-2-YL]CARBONYLSULFAMOYL]FURAN-2-CARBOXYLIC+ACID'>5X3</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=5fdr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fdr OCA], [https://pdbe.org/5fdr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5fdr RCSB], [https://www.ebi.ac.uk/pdbsum/5fdr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5fdr 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=5fdr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fdr OCA], [~~http~~://pdbe.org/5fdr PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5fdr RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5fdr PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5fdr 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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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Zhao, B]]	+	[[Category: Zhao B]]
-	~~[[Category: Apoptosis-apoptosis inhibitor complex]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Mcl-1~~]]	+

OCA at 09:03, 4 December 2019

OCA — Wed, 04 Dec 2019 09:03:43 GMT

←Older revision		Revision as of 09:03, 4 December 2019
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	==Mcl-1 complexed with small molecule inhibitor==		==Mcl-1 complexed with small molecule inhibitor==
-	<StructureSection load='5fdr' size='340' side='right' caption='[[5fdr]], [[Resolution\|resolution]] 2.60Å' scene=''>	+	<StructureSection load='5fdr' size='340' side='right'caption='[[5fdr]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5fdr]] is a 4 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=5FDR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5FDR FirstGlance]. <br>		<table><tr><td colspan='2'>[[5fdr]] is a 4 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=5FDR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5FDR FirstGlance]. <br>
Line 20:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 5fdr" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5fdr" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[B-cell lymphoma proteins 3D structures\|B-cell lymphoma proteins 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 25:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Zhao, B]]		[[Category: Zhao, B]]
	[[Category: Apoptosis-apoptosis inhibitor complex]]		[[Category: Apoptosis-apoptosis inhibitor complex]]
	[[Category: Inhibitor]]		[[Category: Inhibitor]]
	[[Category: Mcl-1]]		[[Category: Mcl-1]]

OCA at 17:13, 15 November 2017

OCA — Wed, 15 Nov 2017 17:13:56 GMT

←Older revision		Revision as of 17:13, 15 November 2017
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	<StructureSection load='5fdr' size='340' side='right' caption='[[5fdr]], [[Resolution\|resolution]] 2.60Å' scene=''>		<StructureSection load='5fdr' size='340' side='right' caption='[[5fdr]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5fdr]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5FDR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5FDR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5fdr]] is a 4 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=5FDR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5FDR FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5X3:5-[[6-CHLORANYL-3-[3-(4-CHLORANYL-3,5-DIMETHYL-PHENOXY)PROPYL]-7-(3,5-DIMETHYL-1~{H}-PYRAZOL-4-YL)-1~{H}-INDOL-2-YL]CARBONYLSULFAMOYL]FURAN-2-CARBOXYLIC+ACID'>5X3</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5X3:5-[[6-CHLORANYL-3-[3-(4-CHLORANYL-3,5-DIMETHYL-PHENOXY)PROPYL]-7-(3,5-DIMETHYL-1~{H}-PYRAZOL-4-YL)-1~{H}-INDOL-2-YL]CARBONYLSULFAMOYL]FURAN-2-CARBOXYLIC+ACID'>5X3</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4hw2\|4hw2]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4hw2\|4hw2]]</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=5fdr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fdr OCA], [http://pdbe.org/5fdr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5fdr RCSB], [http://www.ebi.ac.uk/pdbsum/5fdr PDBsum]</span></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=5fdr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fdr OCA], [http://pdbe.org/5fdr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5fdr RCSB], [http://www.ebi.ac.uk/pdbsum/5fdr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5fdr ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 23:		Line 24:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Zhao, B]]		[[Category: Zhao, B]]
	[[Category: Apoptosis-apoptosis inhibitor complex]]		[[Category: Apoptosis-apoptosis inhibitor complex]]
	[[Category: Inhibitor]]		[[Category: Inhibitor]]
	[[Category: Mcl-1]]		[[Category: Mcl-1]]

OCA at 15:02, 2 March 2016

OCA — Wed, 02 Mar 2016 15:02:20 GMT

←Older revision		Revision as of 15:02, 2 March 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5fdr is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==Mcl-1 complexed with small molecule inhibitor==
		+	<StructureSection load='5fdr' size='340' side='right' caption='[[5fdr]], [[Resolution\|resolution]] 2.60Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5fdr]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5FDR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5FDR FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5X3:5-[[6-CHLORANYL-3-[3-(4-CHLORANYL-3,5-DIMETHYL-PHENOXY)PROPYL]-7-(3,5-DIMETHYL-1~{H}-PYRAZOL-4-YL)-1~{H}-INDOL-2-YL]CARBONYLSULFAMOYL]FURAN-2-CARBOXYLIC+ACID'>5X3</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4hw2\|4hw2]]</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=5fdr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fdr OCA], [http://pdbe.org/5fdr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5fdr RCSB], [http://www.ebi.ac.uk/pdbsum/5fdr PDBsum]</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 ==
		+	Myeloid cell leukemia-1 (Mcl-1) is a member of the Bcl-2 family of proteins responsible for the regulation of programmed cell death. Amplification of Mcl-1 is a common genetic aberration in human cancer whose overexpression contributes to the evasion of apoptosis and is one of the major resistance mechanisms for many chemotherapies. Mcl-1 mediates its effects primarily through interactions with pro-apoptotic BH3 containing proteins that achieve high affinity for the target by utilizing four hydrophobic pockets in its binding groove. Here we describe the discovery of Mcl-1 inhibitors using fragment-based methods and structure-based design. These novel inhibitors exhibit low nanomolar binding affinities to Mcl-1 and >500-fold selectivity over Bcl-xL. X-ray structures of lead Mcl-1 inhibitors when complexed to Mcl-1 provided detailed information on how these small-molecules bind to the target and were used extensively to guide compound optimization.

-	~~Authors: Zhao~~, B.	+	Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.,Pelz NF, Bian Z, Zhao B, Shaw S, Tarr JC, Belmar J, Gregg C, Camper DV, Goodwin CM, Arnold AL, Sensintaffar JL, Friberg A, Rossanese OW, Lee T, Olejniczak ET, Fesik SW J Med Chem. 2016 Feb 24. PMID:26878343<ref>PMID:26878343</ref>

-	~~Description: Mcl-1 complexed with small molecule inhibitor~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
		+	<div class="pdbe-citations 5fdr" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Zhao, B]]		[[Category: Zhao, B]]
		+	[[Category: Apoptosis-apoptosis inhibitor complex]]
		+	[[Category: Inhibitor]]
		+	[[Category: Mcl-1]]

OCA at 17:49, 30 December 2015

OCA — Wed, 30 Dec 2015 17:49:11 GMT

←Older revision		Revision as of 17:49, 30 December 2015
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5fdr is ON HOLD until ~~sometime in the future~~	+	The entry 5fdr is ON HOLD until Paper Publication

	Authors: Zhao, B.		Authors: Zhao, B.

OCA: Protected "5fdr" [edit=sysop:move=sysop]

OCA — Wed, 23 Dec 2015 11:31:45 GMT

Protected "5fdr" [edit=sysop:move=sysop]

←Older revision

Revision as of 11:31, 23 December 2015

OCA: New page: '''Unreleased structure''' The entry 5fdr is ON HOLD until sometime in the future Authors: Zhao, B. Description: Mcl-1 complexed with small molecule inhibitor [[Category: Unreleased St...

OCA — Wed, 23 Dec 2015 11:31:44 GMT

New page: '''Unreleased structure''' The entry 5fdr is ON HOLD until sometime in the future Authors: Zhao, B. Description: Mcl-1 complexed with small molecule inhibitor [[Category: Unreleased St...

New page

'''Unreleased structure'''

The entry 5fdr is ON HOLD until sometime in the future

Authors: Zhao, B.

Description: Mcl-1 complexed with small molecule inhibitor
[[Category: Unreleased Structures]]
[[Category: Zhao, B]]