4bxb - Revision history

OCA: Redirecting to 5cqu

OCA — Wed, 03 Feb 2016 15:25:51 GMT

Redirecting to 5cqu

←Older revision		Revision as of 15:25, 3 February 2016
Line 1:		Line 1:
-	~~==Monoclinic Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry==~~	+	#REDIRECT [[5cqu]] This PDB entry is obsolete and replaced by 5cqu
-	~~<StructureSection load='4bxb' size='340' side='right' caption='~~[[~~4bxb]], [[Resolution\|resolution]] 2.35Å' scene=''>~~	+
-	~~== Structural highlights ==~~	+
-	~~<table><tr><td colspan='2'>[[4bxb~~]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BXB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BXB FirstGlance]. <br>	+
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=JRJ:4-[4-[2-[4,5,6,7-TETRAKIS(BROMANYL)BENZOTRIAZOL-2-YL]ETHYL]-1,2,3-TRIAZOL-1-YL]BUTAN-1-AMINE'>JRJ</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">[[4bxa\|4bxa]]</td></tr>~~	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </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=4bxb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bxb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bxb RCSB], [http://www.ebi.ac.uk/pdbsum/4bxb PDBsum]</span></td></tr>	+
-	~~</table>~~	+
-	~~== Function ==~~	+
-	[[http://www.uniprot.org/uniprot/CSK21_HUMAN CSK21_HUMAN]] Catalytic subunit of a constitutively active serine/threonine-protein kinase complex that phosphorylates a large number of substrates containing acidic residues C-terminal to the phosphorylated serine or threonine. Regulates numerous cellular processes, such as cell cycle progression, apoptosis and transcription, as well as viral infection. May act as a regulatory node which integrates and coordinates numerous signals leading to an appropriate cellular response. During mitosis, functions as a component of the p53/TP53-dependent spindle assembly checkpoint (SAC) that maintains cyclin-B-CDK1 activity and G2 arrest in response to spindle damage. Also required for p53/TP53-mediated apoptosis, phosphorylating 'Ser-392' of p53/TP53 following UV irradiation. Can also negatively regulate apoptosis. Phosphorylates the caspases CASP9 and CASP2 and the apoptotic regulator NOL3. Phosphorylation protects CASP9 from cleavage and activation by CASP8, and inhibits the dimerization of CASP2 and activation of CASP8. Regulates transcription by direct phosphorylation of RNA polymerases I, II, III and IV. Also phosphorylates and regulates numerous transcription factors including NF-kappa-B, STAT1, CREB1, IRF1, IRF2, ATF1, SRF, MAX, JUN, FOS, MYC and MYB. Phosphorylates Hsp90 and its co-chaperones FKBP4 and CDC37, which is essential for chaperone function. Regulates Wnt signaling by phosphorylating CTNNB1 and the transcription factor LEF1. Acts as an ectokinase that phosphorylates several extracellular proteins. During viral infection, phosphorylates various proteins involved in the viral life cycles of EBV, HSV, HBV, HCV, HIV, CMV and HPV.<ref>PMID:11239457</ref> <ref>PMID:11704824</ref> <ref>PMID:16193064</ref> <ref>PMID:19188443</ref>	+
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	New 4,5,6,7-tetrabromo benzotriazole derivatives have been synthesized, and their activities against CK2 have been tested. A click chemistry approach based on the copper-catalyzed azide-alkyne cycloaddition has been utilized to connect benzotriazoles, which efficiently interact with the ATP-binding site, to other subunits designed to simultaneously bind to the active and the substrate-binding sites of the enzyme. Docking studies allowed us to identify key interactions between CK2 and the designed ligands, which will be useful to optimize this series of multisite-directed inhibitors.	+
-		+
-	Multisite-directed inhibitors of protein kinase CK2: new challenges.,Swider R, Maslyk M, Martin-Santamaria S, Ramos A, de Pascual-Teresa B Mol Cell Biochem. 2011 Oct;356(1-2):117-9. doi: 10.1007/s11010-011-0962-7. Epub, 2011 Jul 13. PMID:21750979<ref>PMID:21750979</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~== References ==~~	+
-	~~<references/>~~	+
-	~~__TOC__~~	+
-	~~</StructureSection>~~	+
-	~~[[Category: Non-specific serine/threonine protein kinase]]~~	+
-	~~[[Category: Martin-Santamiaria, S]]~~	+
-	~~[[Category: Maslyk, M]]~~	+
-	~~[[Category: Niefind, K]]~~	+
-	~~[[Category: Panchuk, R]]~~	+
-	~~[[Category: Pascual-Teresa, B de]]~~	+
-	~~[[Category: Ramos, A]]~~	+
-	~~[[Category: Schnitzler, A]]~~	+
-	~~[[Category: Skorokhyd, N]]~~	+
-	~~[[Category: Swider, R]]~~	+
-	~~[[Category: Atp-competitive inhibitor]]~~	+
-	~~[[Category: Transferase]]~~	+

OCA at 20:34, 25 December 2014

OCA — Thu, 25 Dec 2014 20:34:01 GMT

←Older revision		Revision as of 20:34, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4bxb]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BXB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BXB FirstGlance]. <br>		<table><tr><td colspan='2'>[[4bxb]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BXB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BXB FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=JRJ:4-[4-[2-[4,5,6,7-TETRAKIS(BROMANYL)BENZOTRIAZOL-2-YL]ETHYL]-1,2,3-TRIAZOL-1-YL]BUTAN-1-AMINE'>JRJ</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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=JRJ:4-[4-[2-[4,5,6,7-TETRAKIS(BROMANYL)BENZOTRIAZOL-2-YL]ETHYL]-1,2,3-TRIAZOL-1-YL]BUTAN-1-AMINE'>JRJ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bxa\|4bxa]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bxa\|4bxa]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </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=4bxb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bxb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bxb RCSB], [http://www.ebi.ac.uk/pdbsum/4bxb 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=4bxb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bxb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bxb RCSB], [http://www.ebi.ac.uk/pdbsum/4bxb PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CSK21_HUMAN CSK21_HUMAN]] Catalytic subunit of a constitutively active serine/threonine-protein kinase complex that phosphorylates a large number of substrates containing acidic residues C-terminal to the phosphorylated serine or threonine. Regulates numerous cellular processes, such as cell cycle progression, apoptosis and transcription, as well as viral infection. May act as a regulatory node which integrates and coordinates numerous signals leading to an appropriate cellular response. During mitosis, functions as a component of the p53/TP53-dependent spindle assembly checkpoint (SAC) that maintains cyclin-B-CDK1 activity and G2 arrest in response to spindle damage. Also required for p53/TP53-mediated apoptosis, phosphorylating 'Ser-392' of p53/TP53 following UV irradiation. Can also negatively regulate apoptosis. Phosphorylates the caspases CASP9 and CASP2 and the apoptotic regulator NOL3. Phosphorylation protects CASP9 from cleavage and activation by CASP8, and inhibits the dimerization of CASP2 and activation of CASP8. Regulates transcription by direct phosphorylation of RNA polymerases I, II, III and IV. Also phosphorylates and regulates numerous transcription factors including NF-kappa-B, STAT1, CREB1, IRF1, IRF2, ATF1, SRF, MAX, JUN, FOS, MYC and MYB. Phosphorylates Hsp90 and its co-chaperones FKBP4 and CDC37, which is essential for chaperone function. Regulates Wnt signaling by phosphorylating CTNNB1 and the transcription factor LEF1. Acts as an ectokinase that phosphorylates several extracellular proteins. During viral infection, phosphorylates various proteins involved in the viral life cycles of EBV, HSV, HBV, HCV, HIV, CMV and HPV.<ref>PMID:11239457</ref> <ref>PMID:11704824</ref> <ref>PMID:16193064</ref> <ref>PMID:19188443</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 21:		Line 23:
	</StructureSection>		</StructureSection>
	[[Category: Non-specific serine/threonine protein kinase]]		[[Category: Non-specific serine/threonine protein kinase]]
-	[[Category: Martin-Santamiaria, S.]]	+	[[Category: Martin-Santamiaria, S]]
-	[[Category: Maslyk, M.]]	+	[[Category: Maslyk, M]]
-	[[Category: Niefind, K.]]	+	[[Category: Niefind, K]]
-	[[Category: Panchuk, R.]]	+	[[Category: Panchuk, R]]
-	[[Category: Pascual-Teresa, B de.]]	+	[[Category: Pascual-Teresa, B de]]
-	[[Category: Ramos, A.]]	+	[[Category: Ramos, A]]
-	[[Category: Schnitzler, A.]]	+	[[Category: Schnitzler, A]]
-	[[Category: Skorokhyd, N.]]	+	[[Category: Skorokhyd, N]]
-	[[Category: Swider, R.]]	+	[[Category: Swider, R]]
	[[Category: Atp-competitive inhibitor]]		[[Category: Atp-competitive inhibitor]]
	[[Category: Transferase]]		[[Category: Transferase]]

OCA at 07:33, 30 July 2014

OCA — Wed, 30 Jul 2014 07:33:12 GMT

←Older revision		Revision as of 07:33, 30 July 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Monoclinic Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry==
		+	<StructureSection load='4bxb' size='340' side='right' caption='[[4bxb]], [[Resolution\|resolution]] 2.35Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4bxb]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BXB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BXB FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=JRJ:4-[4-[2-[4,5,6,7-TETRAKIS(BROMANYL)BENZOTRIAZOL-2-YL]ETHYL]-1,2,3-TRIAZOL-1-YL]BUTAN-1-AMINE'>JRJ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bxa\|4bxa]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </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=4bxb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bxb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bxb RCSB], [http://www.ebi.ac.uk/pdbsum/4bxb PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	New 4,5,6,7-tetrabromo benzotriazole derivatives have been synthesized, and their activities against CK2 have been tested. A click chemistry approach based on the copper-catalyzed azide-alkyne cycloaddition has been utilized to connect benzotriazoles, which efficiently interact with the ATP-binding site, to other subunits designed to simultaneously bind to the active and the substrate-binding sites of the enzyme. Docking studies allowed us to identify key interactions between CK2 and the designed ligands, which will be useful to optimize this series of multisite-directed inhibitors.

-	~~The entry 4bxb is ON HOLD until Paper Publication~~	+	Multisite-directed inhibitors of protein kinase CK2: new challenges.,Swider R, Maslyk M, Martin-Santamaria S, Ramos A, de Pascual-Teresa B Mol Cell Biochem. 2011 Oct;356(1-2):117-9. doi: 10.1007/s11010-011-0962-7. Epub, 2011 Jul 13. PMID:21750979<ref>PMID:21750979</ref>

-	~~Authors: Swider~~, R.~~, Maslyk, M~~.~~, Panchuk, R~~., ~~Skorokhyd, N~~., ~~Schnitzler, A~~., Niefind, K., ~~Martin-Santamiaria, S~~.~~, de~~ Pascual-Teresa, B., Ramos, A.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Monoclinic Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole~~-~~Based Inhibitor Generated by click-chemistry~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Non-specific serine/threonine protein kinase]]
		+	[[Category: Martin-Santamiaria, S.]]
		+	[[Category: Maslyk, M.]]
		+	[[Category: Niefind, K.]]
		+	[[Category: Panchuk, R.]]
		+	[[Category: Pascual-Teresa, B de.]]
		+	[[Category: Ramos, A.]]
		+	[[Category: Schnitzler, A.]]
		+	[[Category: Skorokhyd, N.]]
		+	[[Category: Swider, R.]]
		+	[[Category: Atp-competitive inhibitor]]
		+	[[Category: Transferase]]

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

OCA — Thu, 18 Jul 2013 04:41:28 GMT

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

←Older revision

Revision as of 04:41, 18 July 2013

OCA: New page: '''Unreleased structure''' The entry 4bxb is ON HOLD until Paper Publication Authors: Swider, R., Maslyk, M., Panchuk, R., Skorokhyd, N., Schnitzler, A., Niefind, K., Martin-Santamiaria...

OCA — Thu, 18 Jul 2013 04:41:28 GMT

New page: '''Unreleased structure''' The entry 4bxb is ON HOLD until Paper Publication Authors: Swider, R., Maslyk, M., Panchuk, R., Skorokhyd, N., Schnitzler, A., Niefind, K., Martin-Santamiaria...

New page

'''Unreleased structure'''

The entry 4bxb is ON HOLD until Paper Publication

Authors: Swider, R., Maslyk, M., Panchuk, R., Skorokhyd, N., Schnitzler, A., Niefind, K., Martin-Santamiaria, S., de Pascual-Teresa, B., Ramos, A.

Description: Monoclinic Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry