4aq3 - Revision history

OCA at 07:16, 1 May 2024

OCA — Wed, 01 May 2024 07:16:17 GMT

←Older revision		Revision as of 07:16, 1 May 2024
Line 3:		Line 3:
	<StructureSection load='4aq3' size='340' side='right'caption='[[4aq3]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='4aq3' size='340' side='right'caption='[[4aq3]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4aq3]] is a 6 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=4AQ3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4AQ3 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4aq3]] is a 6 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=4AQ3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4AQ3 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=398:N,N-DIBUTYL-4-CHLORANYL-1-[2-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YLCARBONYL)-4-[(7-IODANYLNAPHTHALEN-2-YL)SULFONYLCARBAMOYL]PHENYL]-5-METHYL-PYRAZOLE-3-CARBOXAMIDE'>398</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]] 2.4Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1bxl\|1bxl]], [[1g5j\|1g5j]], [[1g5m\|1g5m]], [[1gjh\|1gjh]], [[1lxl\|1lxl]], [[1maz\|1maz]], [[1r2d\|1r2d]], [[1r2e\|1r2e]], [[1r2g\|1r2g]], [[1r2h\|1r2h]], [[1r2i\|1r2i]], [[1ysg\|1ysg]], [[1ysi\|1ysi]], [[1ysn\|1ysn]], [[1ysw\|1ysw]], [[2b48\|2b48]], [[2w3l\|2w3l]], [[2xa0\|2xa0]], [[2yj1\|2yj1]], [[4a1u\|4a1u]], [[4a1w\|4a1w]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=398:N,N-DIBUTYL-4-CHLORANYL-1-[2-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YLCARBONYL)-4-[(7-IODANYLNAPHTHALEN-2-YL)SULFONYLCARBAMOYL]PHENYL]-5-METHYL-PYRAZOLE-3-CARBOXAMIDE'>398</scene></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=4aq3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4aq3 OCA], [https://pdbe.org/4aq3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4aq3 RCSB], [https://www.ebi.ac.uk/pdbsum/4aq3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4aq3 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=4aq3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4aq3 OCA], [https://pdbe.org/4aq3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4aq3 RCSB], [https://www.ebi.ac.uk/pdbsum/4aq3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4aq3 ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
-	[[https://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN]] Note=A chromosomal aberration involving BCL2 has been found in chronic lymphatic leukemia. Translocation t(14;18)(q32;q21) with immunoglobulin gene regions. BCL2 mutations found in non-Hodgkin lymphomas carrying the chromosomal translocation could be attributed to the Ig somatic hypermutation mechanism resulting in nucleotide transitions.	+	[https://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN] Note=A chromosomal aberration involving BCL2 has been found in chronic lymphatic leukemia. Translocation t(14;18)(q32;q21) with immunoglobulin gene regions. BCL2 mutations found in non-Hodgkin lymphomas carrying the chromosomal translocation could be attributed to the Ig somatic hypermutation mechanism resulting in nucleotide transitions.
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN]] Suppresses apoptosis in a variety of cell systems including factor-dependent lymphohematopoietic and neural cells. Regulates cell death by controlling the mitochondrial membrane permeability. Appears to function in a feedback loop system with caspases. Inhibits caspase activity either by preventing the release of cytochrome c from the mitochondria and/or by binding to the apoptosis-activating factor (APAF-1).<ref>PMID:18570871</ref>	+	[https://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN] Suppresses apoptosis in a variety of cell systems including factor-dependent lymphohematopoietic and neural cells. Regulates cell death by controlling the mitochondrial membrane permeability. Appears to function in a feedback loop system with caspases. Inhibits caspase activity either by preventing the release of cytochrome c from the mitochondria and/or by binding to the apoptosis-activating factor (APAF-1).<ref>PMID:18570871</ref> [https://www.uniprot.org/uniprot/B2CL1_HUMAN B2CL1_HUMAN] Potent inhibitor of cell death. Inhibits activation of caspases (By similarity). Appears to regulate cell death by blocking the voltage-dependent anion channel (VDAC) by binding to it and preventing the release of the caspase activator, CYC1, from the mitochondrial membrane. Also acts as a regulator of G2 checkpoint and progression to cytokinesis during mitosis.<ref>PMID:19917720</ref> <ref>PMID:21840391</ref> Isoform Bcl-X(S) promotes apoptosis.<ref>PMID:19917720</ref> <ref>PMID:21840391</ref>
-	~~<div style="background-color~~:~~#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	~~A series~~ of ~~phenylacylsulfonamides has been prepared as antagonists~~ of ~~Bcl-2/Bcl-xL~~. ~~In addition~~ to ~~potent binding affinities for both Bcl~~-~~2 and Bcl-xL, these compounds were shown to induce classical markers of apoptosis in isolated mitochondria. Overall weak cellular potency was improved~~ by the ~~incorporation~~ of ~~polar functionality resulting in compounds with moderate antiproliferative activity~~.	+
-		+
-	~~Identification of~~ a ~~phenylacylsulfonamide series~~ of dual Bcl-2/Bcl-xL antagonists.,Perez HL, Banfi P, Bertrand J, Cai ZW, Grebinski JW, Kim K, Lippy J, Modugno M, Naglich J, Schmidt RJ, Tebben A, Vianello P, Wei DD, Zhang L, Galvani A, Lombardo LJ, Borzilleri RM Bioorg Med Chem Lett. 2012 Jun 15;22(12):3946-50. Epub 2012 May 2. PMID:~~22608961~~<ref>PMID:~~22608961~~</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.~~S~~. National Library of Medicine~~.<br>	+
-	</~~div~~>	+
-	<~~div class="pdbe-citations 4aq3" style="background-color:#fffaf0;"~~></~~div~~>	+

	==See Also==		==See Also==
Line 28:		Line 19:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bertrand~~, J A~~]]	+	[[Category: Bertrand JA]]
-	[[Category: Fasolini, M]]	+	[[Category: Fasolini M]]
-	[[Category: Modugno, M]]	+	[[Category: Modugno M]]
-	~~[[Category: Apoptosis]]~~	+
-	~~[[Category: Chimera~~]]	+

OCA at 05:42, 25 August 2022

OCA — Thu, 25 Aug 2022 05:42:26 GMT

←Older revision		Revision as of 05:42, 25 August 2022
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	<StructureSection load='4aq3' size='340' side='right'caption='[[4aq3]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='4aq3' size='340' side='right'caption='[[4aq3]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4aq3]] 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=4AQ3 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4AQ3 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4aq3]] is a 6 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=4AQ3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4AQ3 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=398:N,N-DIBUTYL-4-CHLORANYL-1-[2-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YLCARBONYL)-4-[(7-IODANYLNAPHTHALEN-2-YL)SULFONYLCARBAMOYL]PHENYL]-5-METHYL-PYRAZOLE-3-CARBOXAMIDE'>398</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=398:N,N-DIBUTYL-4-CHLORANYL-1-[2-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YLCARBONYL)-4-[(7-IODANYLNAPHTHALEN-2-YL)SULFONYLCARBAMOYL]PHENYL]-5-METHYL-PYRAZOLE-3-CARBOXAMIDE'>398</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bxl\|1bxl]], [[1g5j\|1g5j]], [[1g5m\|1g5m]], [[1gjh\|1gjh]], [[1lxl\|1lxl]], [[1maz\|1maz]], [[1r2d\|1r2d]], [[1r2e\|1r2e]], [[1r2g\|1r2g]], [[1r2h\|1r2h]], [[1r2i\|1r2i]], [[1ysg\|1ysg]], [[1ysi\|1ysi]], [[1ysn\|1ysn]], [[1ysw\|1ysw]], [[2b48\|2b48]], [[2w3l\|2w3l]], [[2xa0\|2xa0]], [[2yj1\|2yj1]], [[4a1u\|4a1u]], [[4a1w\|4a1w]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1bxl\|1bxl]], [[1g5j\|1g5j]], [[1g5m\|1g5m]], [[1gjh\|1gjh]], [[1lxl\|1lxl]], [[1maz\|1maz]], [[1r2d\|1r2d]], [[1r2e\|1r2e]], [[1r2g\|1r2g]], [[1r2h\|1r2h]], [[1r2i\|1r2i]], [[1ysg\|1ysg]], [[1ysi\|1ysi]], [[1ysn\|1ysn]], [[1ysw\|1ysw]], [[2b48\|2b48]], [[2w3l\|2w3l]], [[2xa0\|2xa0]], [[2yj1\|2yj1]], [[4a1u\|4a1u]], [[4a1w\|4a1w]]</div></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=4aq3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4aq3 OCA], [~~http~~://pdbe.org/4aq3 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4aq3 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4aq3 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4aq3 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=4aq3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4aq3 OCA], [https://pdbe.org/4aq3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4aq3 RCSB], [https://www.ebi.ac.uk/pdbsum/4aq3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4aq3 ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
-	[[~~http~~://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN]] Note=A chromosomal aberration involving BCL2 has been found in chronic lymphatic leukemia. Translocation t(14;18)(q32;q21) with immunoglobulin gene regions. BCL2 mutations found in non-Hodgkin lymphomas carrying the chromosomal translocation could be attributed to the Ig somatic hypermutation mechanism resulting in nucleotide transitions.	+	[[https://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN]] Note=A chromosomal aberration involving BCL2 has been found in chronic lymphatic leukemia. Translocation t(14;18)(q32;q21) with immunoglobulin gene regions. BCL2 mutations found in non-Hodgkin lymphomas carrying the chromosomal translocation could be attributed to the Ig somatic hypermutation mechanism resulting in nucleotide transitions.
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN]] Suppresses apoptosis in a variety of cell systems including factor-dependent lymphohematopoietic and neural cells. Regulates cell death by controlling the mitochondrial membrane permeability. Appears to function in a feedback loop system with caspases. Inhibits caspase activity either by preventing the release of cytochrome c from the mitochondria and/or by binding to the apoptosis-activating factor (APAF-1).<ref>PMID:18570871</ref>	+	[[https://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN]] Suppresses apoptosis in a variety of cell systems including factor-dependent lymphohematopoietic and neural cells. Regulates cell death by controlling the mitochondrial membrane permeability. Appears to function in a feedback loop system with caspases. Inhibits caspase activity either by preventing the release of cytochrome c from the mitochondria and/or by binding to the apoptosis-activating factor (APAF-1).<ref>PMID:18570871</ref>
	<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==
-	*[[B-cell lymphoma ~~protein~~\|B-cell lymphoma ~~protein~~]]	+	*[[B-cell lymphoma proteins 3D structures\|B-cell lymphoma proteins 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 29:		Line 29:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Bertrand, J A]]		[[Category: Bertrand, J A]]
	[[Category: Fasolini, M]]		[[Category: Fasolini, M]]

OCA at 09:15, 6 March 2019

OCA — Wed, 06 Mar 2019 09:15:15 GMT

←Older revision		Revision as of 09:15, 6 March 2019
Line 1:		Line 1:

	==HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR==		==HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR==
-	<StructureSection load='4aq3' size='340' side='right' caption='[[4aq3]], [[Resolution\|resolution]] 2.40Å' scene=''>	+	<StructureSection load='4aq3' size='340' side='right'caption='[[4aq3]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4aq3]] 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=4AQ3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AQ3 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4aq3]] 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=4AQ3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AQ3 FirstGlance]. <br>
Line 23:		Line 23:

	==See Also==		==See Also==
-	*[[~~Bcl~~-2\|~~Bcl~~-2]]	+	*[[B-cell lymphoma protein\|B-cell lymphoma protein]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 07:52, 4 August 2016

OCA — Thu, 04 Aug 2016 07:52:55 GMT

←Older revision		Revision as of 07:52, 4 August 2016
Line 1:		Line 1:
		+
	==HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR==		==HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR==
	<StructureSection load='4aq3' size='340' side='right' caption='[[4aq3]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='4aq3' size='340' side='right' caption='[[4aq3]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4aq3]] is a 6 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=4AQ3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AQ3 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4aq3]] 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=4AQ3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AQ3 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=398:N,N-DIBUTYL-4-CHLORANYL-1-[2-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YLCARBONYL)-4-[(7-IODANYLNAPHTHALEN-2-YL)SULFONYLCARBAMOYL]PHENYL]-5-METHYL-PYRAZOLE-3-CARBOXAMIDE'>398</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=398:N,N-DIBUTYL-4-CHLORANYL-1-[2-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YLCARBONYL)-4-[(7-IODANYLNAPHTHALEN-2-YL)SULFONYLCARBAMOYL]PHENYL]-5-METHYL-PYRAZOLE-3-CARBOXAMIDE'>398</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bxl\|1bxl]], [[1g5j\|1g5j]], [[1g5m\|1g5m]], [[1gjh\|1gjh]], [[1lxl\|1lxl]], [[1maz\|1maz]], [[1r2d\|1r2d]], [[1r2e\|1r2e]], [[1r2g\|1r2g]], [[1r2h\|1r2h]], [[1r2i\|1r2i]], [[1ysg\|1ysg]], [[1ysi\|1ysi]], [[1ysn\|1ysn]], [[1ysw\|1ysw]], [[2b48\|2b48]], [[2w3l\|2w3l]], [[2xa0\|2xa0]], [[2yj1\|2yj1]], [[4a1u\|4a1u]], [[4a1w\|4a1w]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bxl\|1bxl]], [[1g5j\|1g5j]], [[1g5m\|1g5m]], [[1gjh\|1gjh]], [[1lxl\|1lxl]], [[1maz\|1maz]], [[1r2d\|1r2d]], [[1r2e\|1r2e]], [[1r2g\|1r2g]], [[1r2h\|1r2h]], [[1r2i\|1r2i]], [[1ysg\|1ysg]], [[1ysi\|1ysi]], [[1ysn\|1ysn]], [[1ysw\|1ysw]], [[2b48\|2b48]], [[2w3l\|2w3l]], [[2xa0\|2xa0]], [[2yj1\|2yj1]], [[4a1u\|4a1u]], [[4a1w\|4a1w]]</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=4aq3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4aq3 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4aq3 RCSB], [http://www.ebi.ac.uk/pdbsum/4aq3 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=4aq3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4aq3 OCA], [http://pdbe.org/4aq3 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4aq3 RCSB], [http://www.ebi.ac.uk/pdbsum/4aq3 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4aq3 ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
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 4aq3" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 26:		Line 28:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Bertrand, J A]]		[[Category: Bertrand, J A]]
	[[Category: Fasolini, M]]		[[Category: Fasolini, M]]

OCA at 09:34, 21 December 2014

OCA — Sun, 21 Dec 2014 09:34:30 GMT

←Older revision		Revision as of 09:34, 21 December 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_4aq3\| PDB~~=4aq3 \| ~~SCENE~~= }}	+	==HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR==
-	===~~HUMAN BCL~~-2 ~~WITH PHENYLACYLSULFONAMIDE INHIBITOR~~===	+	<StructureSection load='4aq3' size='340' side='right' caption='[[4aq3]], [[Resolution\|resolution]] 2.40Å' scene=''>
-	~~{{ABSTRACT_PUBMED_22608961}}~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[4aq3]] is a 6 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=4AQ3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AQ3 FirstGlance]. <br>
-	==Disease==	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=398:N,N-DIBUTYL-4-CHLORANYL-1-[2-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YLCARBONYL)-4-[(7-IODANYLNAPHTHALEN-2-YL)SULFONYLCARBAMOYL]PHENYL]-5-METHYL-PYRAZOLE-3-CARBOXAMIDE'>398</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bxl\|1bxl]], [[1g5j\|1g5j]], [[1g5m\|1g5m]], [[1gjh\|1gjh]], [[1lxl\|1lxl]], [[1maz\|1maz]], [[1r2d\|1r2d]], [[1r2e\|1r2e]], [[1r2g\|1r2g]], [[1r2h\|1r2h]], [[1r2i\|1r2i]], [[1ysg\|1ysg]], [[1ysi\|1ysi]], [[1ysn\|1ysn]], [[1ysw\|1ysw]], [[2b48\|2b48]], [[2w3l\|2w3l]], [[2xa0\|2xa0]], [[2yj1\|2yj1]], [[4a1u\|4a1u]], [[4a1w\|4a1w]]</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=4aq3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4aq3 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4aq3 RCSB], [http://www.ebi.ac.uk/pdbsum/4aq3 PDBsum]</span></td></tr>
		+	</table>
		+	== Disease ==
	[[http://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN]] Note=A chromosomal aberration involving BCL2 has been found in chronic lymphatic leukemia. Translocation t(14;18)(q32;q21) with immunoglobulin gene regions. BCL2 mutations found in non-Hodgkin lymphomas carrying the chromosomal translocation could be attributed to the Ig somatic hypermutation mechanism resulting in nucleotide transitions.		[[http://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN]] Note=A chromosomal aberration involving BCL2 has been found in chronic lymphatic leukemia. Translocation t(14;18)(q32;q21) with immunoglobulin gene regions. BCL2 mutations found in non-Hodgkin lymphomas carrying the chromosomal translocation could be attributed to the Ig somatic hypermutation mechanism resulting in nucleotide transitions.
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN]] Suppresses apoptosis in a variety of cell systems including factor-dependent lymphohematopoietic and neural cells. Regulates cell death by controlling the mitochondrial membrane permeability. Appears to function in a feedback loop system with caspases. Inhibits caspase activity either by preventing the release of cytochrome c from the mitochondria and/or by binding to the apoptosis-activating factor (APAF-1).<ref>PMID:18570871</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	A series of phenylacylsulfonamides has been prepared as antagonists of Bcl-2/Bcl-xL. In addition to potent binding affinities for both Bcl-2 and Bcl-xL, these compounds were shown to induce classical markers of apoptosis in isolated mitochondria. Overall weak cellular potency was improved by the incorporation of polar functionality resulting in compounds with moderate antiproliferative activity.

-	~~==Function==~~	+	Identification of a phenylacylsulfonamide series of dual Bcl-2/Bcl-xL antagonists.,Perez HL, Banfi P, Bertrand J, Cai ZW, Grebinski JW, Kim K, Lippy J, Modugno M, Naglich J, Schmidt RJ, Tebben A, Vianello P, Wei DD, Zhang L, Galvani A, Lombardo LJ, Borzilleri RM Bioorg Med Chem Lett. 2012 Jun 15;22(12):3946-50. Epub 2012 May 2. PMID:22608961<ref>PMID:22608961</ref>
-	~~[[http://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN]] Suppresses apoptosis in~~ a ~~variety~~ of ~~cell systems including factor~~-~~dependent lymphohematopoietic and neural cells~~. ~~Regulates cell death by controlling the mitochondrial membrane permeability~~. Appears to function in a feedback loop system with caspases. Inhibits caspase activity either by preventing the release of cytochrome c from the mitochondria and/or by binding to the apoptosis-activating factor (~~APAF~~-1).<ref>PMID:~~18570871~~</ref>	+

-	~~==About this Structure==~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[4aq3]] is~~ a ~~6 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=4AQ3 OCA].~~	+	</div>

-	==~~Reference~~==	+	==See Also==
-	~~<ref group~~=~~"xtra">PMID:022608961</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	*[[Bcl-2\|Bcl-2]]
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Bertrand, J A.]]	+	[[Category: Bertrand, J A]]
-	[[Category: Fasolini, M.]]	+	[[Category: Fasolini, M]]
-	[[Category: Modugno, M.]]	+	[[Category: Modugno, M]]
	[[Category: Apoptosis]]		[[Category: Apoptosis]]
	[[Category: Chimera]]		[[Category: Chimera]]

OCA at 09:45, 24 March 2013

OCA — Sun, 24 Mar 2013 09:45:38 GMT

←Older revision		Revision as of 09:45, 24 March 2013
Line 1:		Line 1:
-	[[Image:4aq3.png\|left\|200px]]
-
	{{STRUCTURE_4aq3\| PDB=4aq3 \| SCENE= }}		{{STRUCTURE_4aq3\| PDB=4aq3 \| SCENE= }}
-
	===HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR===		===HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR===
		+	{{ABSTRACT_PUBMED_22608961}}

-	~~{{ABSTRACT_PUBMED_22608961}}~~	+	==Disease==
		+	[[http://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN]] Note=A chromosomal aberration involving BCL2 has been found in chronic lymphatic leukemia. Translocation t(14;18)(q32;q21) with immunoglobulin gene regions. BCL2 mutations found in non-Hodgkin lymphomas carrying the chromosomal translocation could be attributed to the Ig somatic hypermutation mechanism resulting in nucleotide transitions.
		+
		+	==Function==
		+	[[http://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN]] Suppresses apoptosis in a variety of cell systems including factor-dependent lymphohematopoietic and neural cells. Regulates cell death by controlling the mitochondrial membrane permeability. Appears to function in a feedback loop system with caspases. Inhibits caspase activity either by preventing the release of cytochrome c from the mitochondria and/or by binding to the apoptosis-activating factor (APAF-1).<ref>PMID:18570871</ref>

	==About this Structure==		==About this Structure==
Line 11:		Line 13:

	==Reference==		==Reference==
-	<ref group="xtra">PMID:022608961</ref><references group="xtra"/>	+	<ref group="xtra">PMID:022608961</ref><references group="xtra"/><references/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Bertrand, J A.]]		[[Category: Bertrand, J A.]]

OCA at 09:53, 21 November 2012

OCA — Wed, 21 Nov 2012 09:53:14 GMT

←Older revision		Revision as of 09:53, 21 November 2012
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-	[[Image:4aq3.~~jpg~~\|left\|200px]]	+	[[Image:4aq3.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_4aq3", 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_4aq3\| PDB=4aq3 \| SCENE= }}		{{STRUCTURE_4aq3\| PDB=4aq3 \| SCENE= }}

	===HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR===		===HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_22608961}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 22608961 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_22608961}}		{{ABSTRACT_PUBMED_22608961}}

OCA at 07:37, 6 June 2012

OCA — Wed, 06 Jun 2012 07:37:49 GMT

←Older revision		Revision as of 07:37, 6 June 2012
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-	~~'''Unreleased structure'''~~	+	[[Image:4aq3.jpg\|left\|200px]]

-	The ~~entry 4aq3~~ is ~~ON HOLD~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_4aq3", 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_4aq3\| PDB=4aq3 \| SCENE= }}

-	~~Authors: Bertrand, J.A., Fasolini, M., Modugno, M.~~	+	===HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR===

-	~~Description~~: ~~HUMAN BCL~~-~~2 WITH PHENYLACYLSULFONAMIDE INHIBITOR~~	+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_22608961}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 22608961 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_22608961}}
		+
		+	==About this Structure==
		+	[[4aq3]] is a 6 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=4AQ3 OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:022608961</ref><references group="xtra"/>
		+	[[Category: Homo sapiens]]
		+	[[Category: Bertrand, J A.]]
		+	[[Category: Fasolini, M.]]
		+	[[Category: Modugno, M.]]
		+	[[Category: Apoptosis]]
		+	[[Category: Chimera]]

OCA at 08:41, 9 May 2012

OCA — Wed, 09 May 2012 08:41:02 GMT

←Older revision		Revision as of 08:41, 9 May 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4aq3 is ON HOLD ~~until sometime in the future~~	+	The entry 4aq3 is ON HOLD

	Authors: Bertrand, J.A., Fasolini, M., Modugno, M.		Authors: Bertrand, J.A., Fasolini, M., Modugno, M.

	Description: HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR		Description: HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR

OCA: Protected "4aq3" [edit=sysop:move=sysop]

OCA — Wed, 18 Apr 2012 07:25:15 GMT

Protected "4aq3" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:25, 18 April 2012