4pjt - Revision history

OCA at 07:17, 27 September 2023

OCA — Wed, 27 Sep 2023 07:17:32 GMT

←Older revision		Revision as of 07:17, 27 September 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4pjt]] 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=4PJT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4PJT FirstGlance]. <br>		<table><tr><td colspan='2'>[[4pjt]] 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=4PJT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4PJT FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2YQ:(8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-2,7,8,9-TETRAHYDRO-3H-PYRIDO[4,3,2-DE]PHTHALAZIN-3-ONE'>2YQ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 2.35Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2YQ:(8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-2,7,8,9-TETRAHYDRO-3H-PYRIDO[4,3,2-DE]PHTHALAZIN-3-ONE'>2YQ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=4pjt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pjt OCA], [https://pdbe.org/4pjt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4pjt RCSB], [https://www.ebi.ac.uk/pdbsum/4pjt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4pjt 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=4pjt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pjt OCA], [https://pdbe.org/4pjt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4pjt RCSB], [https://www.ebi.ac.uk/pdbsum/4pjt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4pjt ProSAT]</span></td></tr>
	</table>		</table>

OCA at 13:08, 1 February 2023

OCA — Wed, 01 Feb 2023 13:08:58 GMT

←Older revision		Revision as of 13:08, 1 February 2023
Line 1:		Line 1:

	==Structure of PARP1 catalytic domain bound to inhibitor BMN 673==		==Structure of PARP1 catalytic domain bound to inhibitor BMN 673==
-	<StructureSection load='4pjt' size='340' side='right' caption='[[4pjt]], [[Resolution\|resolution]] 2.35Å' scene=''>	+	<StructureSection load='4pjt' size='340' side='right'caption='[[4pjt]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4pjt]] 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=4PJT OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4PJT FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4pjt]] 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=4PJT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4PJT FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2YQ:(8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-2,7,8,9-TETRAHYDRO-3H-PYRIDO[4,3,2-DE]PHTHALAZIN-3-ONE'>2YQ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2YQ:(8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-2,7,8,9-TETRAHYDRO-3H-PYRIDO[4,3,2-DE]PHTHALAZIN-3-ONE'>2YQ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pjv\|4pjv]]</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=4pjt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pjt OCA], [https://pdbe.org/4pjt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4pjt RCSB], [https://www.ebi.ac.uk/pdbsum/4pjt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4pjt ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PARP1, ADPRT, PPOL ([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/NAD(+)_ADP-ribosyltransferase NAD(+) ADP-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.30 2.4.2.30] </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=4pjt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pjt OCA], [~~http~~://pdbe.org/4pjt PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4pjt RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4pjt PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4pjt ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/PARP1_HUMAN PARP1_HUMAN]] Involved in the base excision repair (BER) pathway, by catalyzing the poly(ADP-ribosyl)ation of a limited number of acceptor proteins involved in chromatin architecture and in DNA metabolism. This modification follows DNA damages and appears as an obligatory step in a detection/signaling pathway leading to the reparation of DNA strand breaks. Mediates the poly(ADP-ribosyl)ation of APLF and CHFR. Positively regulates the transcription of MTUS1 and negatively regulates the transcription of MTUS2/TIP150. With EEF1A1 and TXK, forms a complex that acts as a T-helper 1 (Th1) cell-specific transcription factor and binds the promoter of IFN-gamma to directly regulate its transcription, and is thus involved importantly in Th1 cytokine production.<ref>PMID:17177976</ref> <ref>PMID:18172500</ref> <ref>PMID:19344625</ref> <ref>PMID:19661379</ref>	+	[https://www.uniprot.org/uniprot/PARP1_HUMAN PARP1_HUMAN] Involved in the base excision repair (BER) pathway, by catalyzing the poly(ADP-ribosyl)ation of a limited number of acceptor proteins involved in chromatin architecture and in DNA metabolism. This modification follows DNA damages and appears as an obligatory step in a detection/signaling pathway leading to the reparation of DNA strand breaks. Mediates the poly(ADP-ribosyl)ation of APLF and CHFR. Positively regulates the transcription of MTUS1 and negatively regulates the transcription of MTUS2/TIP150. With EEF1A1 and TXK, forms a complex that acts as a T-helper 1 (Th1) cell-specific transcription factor and binds the promoter of IFN-gamma to directly regulate its transcription, and is thus involved importantly in Th1 cytokine production.<ref>PMID:17177976</ref> <ref>PMID:18172500</ref> <ref>PMID:19344625</ref> <ref>PMID:19661379</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 21:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 4pjt" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4pjt" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Poly(ADP-ribose) polymerase 3D structures\|Poly(ADP-ribose) polymerase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
-	[[Category: ~~Aoyagi-Scharber, M~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Arakaki, T L~~]]	+	[[Category: Aoyagi-Scharber M]]
-	[[Category: ~~Gardberg, A S~~]]	+	[[Category: Arakaki TL]]
-	[[Category: ~~Complex]]~~	+	[[Category: Gardberg AS]]
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Parp1]]~~	+
-	~~[[Category: Transferase-transferase inhibitor complex~~]]	+

OCA at 08:42, 22 November 2017

OCA — Wed, 22 Nov 2017 08:42:02 GMT

←Older revision		Revision as of 08:42, 22 November 2017
Line 3:		Line 3:
	<StructureSection load='4pjt' size='340' side='right' caption='[[4pjt]], [[Resolution\|resolution]] 2.35Å' scene=''>		<StructureSection load='4pjt' size='340' side='right' caption='[[4pjt]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4pjt]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PJT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PJT FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4pjt]] 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=4PJT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PJT FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2YQ:(8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-2,7,8,9-TETRAHYDRO-3H-PYRIDO[4,3,2-DE]PHTHALAZIN-3-ONE'>2YQ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2YQ:(8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-2,7,8,9-TETRAHYDRO-3H-PYRIDO[4,3,2-DE]PHTHALAZIN-3-ONE'>2YQ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pjv\|4pjv]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pjv\|4pjv]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PARP1, ADPRT, PPOL ([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/NAD(+)_ADP-ribosyltransferase NAD(+) ADP-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.30 2.4.2.30] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/NAD(+)_ADP-ribosyltransferase NAD(+) ADP-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.30 2.4.2.30] </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=4pjt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pjt OCA], [http://pdbe.org/4pjt PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4pjt RCSB], [http://www.ebi.ac.uk/pdbsum/4pjt PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4pjt 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=4pjt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pjt OCA], [http://pdbe.org/4pjt PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4pjt RCSB], [http://www.ebi.ac.uk/pdbsum/4pjt PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4pjt ProSAT]</span></td></tr>
Line 20:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 4pjt" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4pjt" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Poly (ADP-ribose) polymerase\|Poly (ADP-ribose) polymerase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Aoyagi-Scharber, M]]		[[Category: Aoyagi-Scharber, M]]
	[[Category: Arakaki, T L]]		[[Category: Arakaki, T L]]

OCA at 17:09, 4 January 2017

OCA — Wed, 04 Jan 2017 17:09:22 GMT

←Older revision		Revision as of 17:09, 4 January 2017
Line 1:		Line 1:
		+
	==Structure of PARP1 catalytic domain bound to inhibitor BMN 673==		==Structure of PARP1 catalytic domain bound to inhibitor BMN 673==
	<StructureSection load='4pjt' size='340' side='right' caption='[[4pjt]], [[Resolution\|resolution]] 2.35Å' scene=''>		<StructureSection load='4pjt' size='340' side='right' caption='[[4pjt]], [[Resolution\|resolution]] 2.35Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pjv\|4pjv]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pjv\|4pjv]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/NAD(+)_ADP-ribosyltransferase NAD(+) ADP-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.30 2.4.2.30] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/NAD(+)_ADP-ribosyltransferase NAD(+) ADP-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.30 2.4.2.30] </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=4pjt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pjt OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4pjt RCSB], [http://www.ebi.ac.uk/pdbsum/4pjt 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=4pjt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pjt OCA], [http://pdbe.org/4pjt PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4pjt RCSB], [http://www.ebi.ac.uk/pdbsum/4pjt PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4pjt ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	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 4pjt" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Poly (ADP-ribose) polymerase\|Poly (ADP-ribose) polymerase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 08:26, 25 December 2014

OCA — Thu, 25 Dec 2014 08:26:00 GMT

←Older revision		Revision as of 08:26, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4pjt]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PJT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PJT FirstGlance]. <br>		<table><tr><td colspan='2'>[[4pjt]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PJT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PJT FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2YQ:(8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-2,7,8,9-TETRAHYDRO-3H-PYRIDO[4,3,2-DE]PHTHALAZIN-3-ONE'>2YQ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2YQ:(8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-2,7,8,9-TETRAHYDRO-3H-PYRIDO[4,3,2-DE]PHTHALAZIN-3-ONE'>2YQ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pjv\|4pjv]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pjv\|4pjv]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/NAD(+)_ADP-ribosyltransferase NAD(+) ADP-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.30 2.4.2.30] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/NAD(+)_ADP-ribosyltransferase NAD(+) ADP-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.30 2.4.2.30] </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=4pjt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pjt OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4pjt RCSB], [http://www.ebi.ac.uk/pdbsum/4pjt 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=4pjt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pjt OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4pjt RCSB], [http://www.ebi.ac.uk/pdbsum/4pjt PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/PARP1_HUMAN PARP1_HUMAN]] Involved in the base excision repair (BER) pathway, by catalyzing the poly(ADP-ribosyl)ation of a limited number of acceptor proteins involved in chromatin architecture and in DNA metabolism. This modification follows DNA damages and appears as an obligatory step in a detection/signaling pathway leading to the reparation of DNA strand breaks. Mediates the poly(ADP-ribosyl)ation of APLF and CHFR. Positively regulates the transcription of MTUS1 and negatively regulates the transcription of MTUS2/TIP150. With EEF1A1 and TXK, forms a complex that acts as a T-helper 1 (Th1) cell-specific transcription factor and binds the promoter of IFN-gamma to directly regulate its transcription, and is thus involved importantly in Th1 cytokine production.<ref>PMID:17177976</ref> <ref>PMID:18172500</ref> <ref>PMID:19344625</ref> <ref>PMID:19661379</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 20:		Line 22:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Aoyagi-Scharber, M.]]	+	[[Category: Aoyagi-Scharber, M]]
-	[[Category: Arakaki, T L.]]	+	[[Category: Arakaki, T L]]
-	[[Category: Gardberg, A S.]]	+	[[Category: Gardberg, A S]]
	[[Category: Complex]]		[[Category: Complex]]
	[[Category: Inhibitor]]		[[Category: Inhibitor]]
	[[Category: Parp1]]		[[Category: Parp1]]
	[[Category: Transferase-transferase inhibitor complex]]		[[Category: Transferase-transferase inhibitor complex]]

OCA at 10:28, 24 September 2014

OCA — Wed, 24 Sep 2014 10:28:33 GMT

←Older revision		Revision as of 10:28, 24 September 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Structure of PARP1 catalytic domain bound to inhibitor BMN 673==
		+	<StructureSection load='4pjt' size='340' side='right' caption='[[4pjt]], [[Resolution\|resolution]] 2.35Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4pjt]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PJT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PJT FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2YQ:(8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-2,7,8,9-TETRAHYDRO-3H-PYRIDO[4,3,2-DE]PHTHALAZIN-3-ONE'>2YQ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pjv\|4pjv]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/NAD(+)_ADP-ribosyltransferase NAD(+) ADP-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.30 2.4.2.30] </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=4pjt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pjt OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4pjt RCSB], [http://www.ebi.ac.uk/pdbsum/4pjt PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Poly(ADP-ribose) polymerases 1 and 2 (PARP1 and PARP2), which are involved in DNA damage response, are targets of anticancer therapeutics. BMN 673 is a novel PARP1/2 inhibitor with substantially increased PARP-mediated tumor cytotoxicity and is now in later-stage clinical development for BRCA-deficient breast cancers. In co-crystal structures, BMN 673 is anchored to the nicotinamide-binding pocket via an extensive network of hydrogen-bonding and pi-stacking interactions, including those mediated by active-site water molecules. The novel di-branched scaffold of BMN 673 extends the binding interactions towards the outer edges of the pocket, which exhibit the least sequence homology among PARP enzymes. The crystallographic structural analyses reported here therefore not only provide critical insights into the molecular basis for the exceptionally high potency of the clinical development candidate BMN 673, but also new opportunities for increasing inhibitor selectivity.

-	~~The entry 4pjt is ON HOLD until Paper Publication~~	+	Structural basis for the inhibition of poly(ADP-ribose) polymerases 1 and 2 by BMN 673, a potent inhibitor derived from dihydropyridophthalazinone.,Aoyagi-Scharber M, Gardberg AS, Yip BK, Wang B, Shen Y, Fitzpatrick PA Acta Crystallogr F Struct Biol Commun. 2014 Sep 1;70(Pt 9):1143-9. doi:, 10.1107/S2053230X14015088. Epub 2014 Aug 29. PMID:25195882<ref>PMID:25195882</ref>

-	~~Authors~~: Aoyagi-Scharber, M., Gardberg, A.S.~~, Arakaki, T.L.~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Structure of PARP1 catalytic domain bound to~~ inhibitor ~~BMN 673~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Aoyagi-Scharber, M.]]
		+	[[Category: Arakaki, T L.]]
		+	[[Category: Gardberg, A S.]]
		+	[[Category: Complex]]
		+	[[Category: Inhibitor]]
		+	[[Category: Parp1]]
		+	[[Category: Transferase-transferase inhibitor complex]]

OCA at 07:10, 2 July 2014

OCA — Wed, 02 Jul 2014 07:10:03 GMT

←Older revision		Revision as of 07:10, 2 July 2014
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4pjt is ON HOLD	+	The entry 4pjt is ON HOLD until Paper Publication

	Authors: Aoyagi-Scharber, M., Gardberg, A.S., Arakaki, T.L.		Authors: Aoyagi-Scharber, M., Gardberg, A.S., Arakaki, T.L.

-	Description:	+	Description: Structure of PARP1 catalytic domain bound to inhibitor BMN 673

OCA at 08:13, 28 May 2014

OCA — Wed, 28 May 2014 08:13:38 GMT

←Older revision		Revision as of 08:13, 28 May 2014
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Aoyagi-Scharber, M., Gardberg, A.S., Arakaki, T.L.		Authors: Aoyagi-Scharber, M., Gardberg, A.S., Arakaki, T.L.

	Description:		Description:

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

OCA — Wed, 21 May 2014 08:06:41 GMT

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

←Older revision

Revision as of 08:06, 21 May 2014

OCA: New page: '''Unreleased structure''' The entry 4pjt is ON HOLD until sometime in the future Authors: Aoyagi-Scharber, M., Gardberg, A.S., Arakaki, T.L. Description:

OCA — Wed, 21 May 2014 08:06:40 GMT

New page: '''Unreleased structure''' The entry 4pjt is ON HOLD until sometime in the future Authors: Aoyagi-Scharber, M., Gardberg, A.S., Arakaki, T.L. Description:

New page

'''Unreleased structure'''

The entry 4pjt is ON HOLD until sometime in the future

Authors: Aoyagi-Scharber, M., Gardberg, A.S., Arakaki, T.L.

Description: