4qmm - Revision history

OCA at 17:33, 20 September 2023

2023-09-20T17:33:25Z

←Older revision		Revision as of 17:33, 20 September 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4qmm]] is a 1 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=4QMM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4QMM FirstGlance]. <br>		<table><tr><td colspan='2'>[[4qmm]] is a 1 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=4QMM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4QMM FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=35R:1-CYCLOPROPYL-3-{3-[5-(MORPHOLIN-4-YLMETHYL)-1H-BENZIMIDAZOL-2-YL]-1H-PYRAZOL-4-YL}UREA'>35R</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</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]] 1.852Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=35R:1-CYCLOPROPYL-3-{3-[5-(MORPHOLIN-4-YLMETHYL)-1H-BENZIMIDAZOL-2-YL]-1H-PYRAZOL-4-YL}UREA'>35R</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</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=4qmm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qmm OCA], [https://pdbe.org/4qmm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4qmm RCSB], [https://www.ebi.ac.uk/pdbsum/4qmm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4qmm 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=4qmm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qmm OCA], [https://pdbe.org/4qmm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4qmm RCSB], [https://www.ebi.ac.uk/pdbsum/4qmm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4qmm ProSAT]</span></td></tr>
	</table>		</table>

OCA at 13:40, 22 February 2023

2023-02-22T13:40:07Z

←Older revision		Revision as of 13:40, 22 February 2023
Line 3:		Line 3:
	<StructureSection load='4qmm' size='340' side='right'caption='[[4qmm]], [[Resolution\|resolution]] 1.85Å' scene=''>		<StructureSection load='4qmm' size='340' side='right'caption='[[4qmm]], [[Resolution\|resolution]] 1.85Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4qmm]] is a 1 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=4QMM OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4QMM FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4qmm]] is a 1 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=4QMM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4QMM FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=35R:1-CYCLOPROPYL-3-{3-[5-(MORPHOLIN-4-YLMETHYL)-1H-BENZIMIDAZOL-2-YL]-1H-PYRAZOL-4-YL}UREA'>35R</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>~~</td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=35R:1-CYCLOPROPYL-3-{3-[5-(MORPHOLIN-4-YLMETHYL)-1H-BENZIMIDAZOL-2-YL]-1H-PYRAZOL-4-YL}UREA'>35R</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>
-	~~<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</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=4qmm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qmm OCA], [https://pdbe.org/4qmm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4qmm RCSB], [https://www.ebi.ac.uk/pdbsum/4qmm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4qmm ProSAT]</span></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qml\|4qml]], [[4qmn\|4qmn]], [[4qmo\|4qmo]], [[4qmp\|4qmp]], [[4qmq\|4qmq]], [[4qmr\|4qmr]], [[4qms\|4qms]], [[4qmt\|4qmt]], [[4qmu\|4qmu]], [[4qmv\|4qmv]], [[4qmw\|4qmw]], [[4qmx\|4qmx]], [[4qmy\|4qmy]], [[4qmz\|4qmz]]</td></tr>	+
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">MST3, STK24, STK3 ([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/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=4qmm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qmm OCA], [~~http~~://pdbe.org/4qmm PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4qmm RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4qmm PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4qmm ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/STK24_HUMAN STK24_HUMAN]] Serine/threonine-protein kinase that acts on both serine and threonine residues and promotes apoptosis in response to stress stimuli and caspase activation. Mediates oxidative-stress-induced cell death by modulating phosphorylation of JNK1-JNK2 (MAPK8 and MAPK9), p38 (MAPK11, MAPK12, MAPK13 and MAPK14) during oxidative stress. Plays a role in a staurosporine-induced caspase-independent apoptotic pathway by regulating the nuclear translocation of AIFM1 and ENDOG and the DNase activity associated with ENDOG. Phosphorylates STK38L on 'Thr-442' and stimulates its kinase activity. Regulates cellular migration with alteration of PTPN12 activity and PXN phosphorylation: phosphorylates PTPN12 and inhibits its activity and may regulate PXN phosphorylation through PTPN12. May act as a key regulator of axon regeneration in the optic nerve and radial nerve.<ref>PMID:16314523</ref> <ref>PMID:17046825</ref> <ref>PMID:19604147</ref> <ref>PMID:19855390</ref> <ref>PMID:19782762</ref>	+	[https://www.uniprot.org/uniprot/STK24_HUMAN STK24_HUMAN] Serine/threonine-protein kinase that acts on both serine and threonine residues and promotes apoptosis in response to stress stimuli and caspase activation. Mediates oxidative-stress-induced cell death by modulating phosphorylation of JNK1-JNK2 (MAPK8 and MAPK9), p38 (MAPK11, MAPK12, MAPK13 and MAPK14) during oxidative stress. Plays a role in a staurosporine-induced caspase-independent apoptotic pathway by regulating the nuclear translocation of AIFM1 and ENDOG and the DNase activity associated with ENDOG. Phosphorylates STK38L on 'Thr-442' and stimulates its kinase activity. Regulates cellular migration with alteration of PTPN12 activity and PXN phosphorylation: phosphorylates PTPN12 and inhibits its activity and may regulate PXN phosphorylation through PTPN12. May act as a key regulator of axon regeneration in the optic nerve and radial nerve.<ref>PMID:16314523</ref> <ref>PMID:17046825</ref> <ref>PMID:19604147</ref> <ref>PMID:19855390</ref> <ref>PMID:19782762</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	==See Also==		==See Also==
-	*[[Serine/threonine protein kinase\|Serine/threonine protein kinase]]	+	*[[Serine/threonine protein kinase 3D structures\|Serine/threonine protein kinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Non-specific serine/threonine protein kinase]]~~	+	[[Category: Olesen SH]]
-	[[Category: Olesen~~, S H~~]]	+	[[Category: Schonbrunn E]]
-	[[Category: Schonbrunn, E]]	+	[[Category: Watts C]]
-	[[Category: Watts, C]]	+	[[Category: Zhu J-Y]]
-	[[Category: Zhu, J Y]]	+
-	~~[[Category: Atp-binding]]~~	+
-	~~[[Category: Mst3]]~~	+
-	~~[[Category: Nucleotide-binding]]~~	+
-	~~[[Category: Phosphoprotein]]~~	+
-	~~[[Category: Protein kinase]]~~	+
-	~~[[Category: Serine/threonine-transferase]]~~	+
-	~~[[Category: Sterile 20-like kinase]]~~	+
-	~~[[Category: Stk24]]~~	+
-	~~[[Category: Transferase-transferase inhibitor complex~~]]	+

OCA at 09:42, 24 April 2019

2019-04-24T09:42:34Z

←Older revision		Revision as of 09:42, 24 April 2019
Line 1:		Line 1:

	==MST3 IN COMPLEX WITH AT-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM==		==MST3 IN COMPLEX WITH AT-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM==
-	<StructureSection load='4qmm' size='340' side='right' caption='[[4qmm]], [[Resolution\|resolution]] 1.85Å' scene=''>	+	<StructureSection load='4qmm' size='340' side='right'caption='[[4qmm]], [[Resolution\|resolution]] 1.85Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4qmm]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QMM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4QMM FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4qmm]] is a 1 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=4QMM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4QMM FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=35R:1-CYCLOPROPYL-3-{3-[5-(MORPHOLIN-4-YLMETHYL)-1H-BENZIMIDAZOL-2-YL]-1H-PYRAZOL-4-YL}UREA'>35R</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=35R:1-CYCLOPROPYL-3-{3-[5-(MORPHOLIN-4-YLMETHYL)-1H-BENZIMIDAZOL-2-YL]-1H-PYRAZOL-4-YL}UREA'>35R</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qml\|4qml]], [[4qmn\|4qmn]], [[4qmo\|4qmo]], [[4qmp\|4qmp]], [[4qmq\|4qmq]], [[4qmr\|4qmr]], [[4qms\|4qms]], [[4qmt\|4qmt]], [[4qmu\|4qmu]], [[4qmv\|4qmv]], [[4qmw\|4qmw]], [[4qmx\|4qmx]], [[4qmy\|4qmy]], [[4qmz\|4qmz]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qml\|4qml]], [[4qmn\|4qmn]], [[4qmo\|4qmo]], [[4qmp\|4qmp]], [[4qmq\|4qmq]], [[4qmr\|4qmr]], [[4qms\|4qms]], [[4qmt\|4qmt]], [[4qmu\|4qmu]], [[4qmv\|4qmv]], [[4qmw\|4qmw]], [[4qmx\|4qmx]], [[4qmy\|4qmy]], [[4qmz\|4qmz]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">MST3, STK24, STK3 ([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/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 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=4qmm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qmm OCA], [http://pdbe.org/4qmm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4qmm RCSB], [http://www.ebi.ac.uk/pdbsum/4qmm PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4qmm 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=4qmm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qmm OCA], [http://pdbe.org/4qmm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4qmm RCSB], [http://www.ebi.ac.uk/pdbsum/4qmm PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4qmm ProSAT]</span></td></tr>
Line 21:		Line 22:
	</div>		</div>
	<div class="pdbe-citations 4qmm" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4qmm" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Serine/threonine protein kinase\|Serine/threonine protein kinase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Non-specific serine/threonine protein kinase]]		[[Category: Non-specific serine/threonine protein kinase]]
	[[Category: Olesen, S H]]		[[Category: Olesen, S H]]

OCA at 03:08, 13 July 2016

2016-07-13T03:08:41Z

←Older revision		Revision as of 03:08, 13 July 2016
Line 8:		Line 8:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qml\|4qml]], [[4qmn\|4qmn]], [[4qmo\|4qmo]], [[4qmp\|4qmp]], [[4qmq\|4qmq]], [[4qmr\|4qmr]], [[4qms\|4qms]], [[4qmt\|4qmt]], [[4qmu\|4qmu]], [[4qmv\|4qmv]], [[4qmw\|4qmw]], [[4qmx\|4qmx]], [[4qmy\|4qmy]], [[4qmz\|4qmz]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qml\|4qml]], [[4qmn\|4qmn]], [[4qmo\|4qmo]], [[4qmp\|4qmp]], [[4qmq\|4qmq]], [[4qmr\|4qmr]], [[4qms\|4qms]], [[4qmt\|4qmt]], [[4qmu\|4qmu]], [[4qmv\|4qmv]], [[4qmw\|4qmw]], [[4qmx\|4qmx]], [[4qmy\|4qmy]], [[4qmz\|4qmz]]</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='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=4qmm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qmm OCA], [http://pdbe.org/4qmm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4qmm RCSB], [http://www.ebi.ac.uk/pdbsum/4qmm 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=4qmm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qmm OCA], [http://pdbe.org/4qmm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4qmm RCSB], [http://www.ebi.ac.uk/pdbsum/4qmm PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4qmm ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==

OCA at 08:07, 20 June 2016

2016-06-20T08:07:46Z

←Older revision		Revision as of 08:07, 20 June 2016
Line 1:		Line 1:
		+
	==MST3 IN COMPLEX WITH AT-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM==		==MST3 IN COMPLEX WITH AT-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM==
	<StructureSection load='4qmm' size='340' side='right' caption='[[4qmm]], [[Resolution\|resolution]] 1.85Å' scene=''>		<StructureSection load='4qmm' size='340' side='right' caption='[[4qmm]], [[Resolution\|resolution]] 1.85Å' scene=''>
Line 7:		Line 8:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qml\|4qml]], [[4qmn\|4qmn]], [[4qmo\|4qmo]], [[4qmp\|4qmp]], [[4qmq\|4qmq]], [[4qmr\|4qmr]], [[4qms\|4qms]], [[4qmt\|4qmt]], [[4qmu\|4qmu]], [[4qmv\|4qmv]], [[4qmw\|4qmw]], [[4qmx\|4qmx]], [[4qmy\|4qmy]], [[4qmz\|4qmz]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qml\|4qml]], [[4qmn\|4qmn]], [[4qmo\|4qmo]], [[4qmp\|4qmp]], [[4qmq\|4qmq]], [[4qmr\|4qmr]], [[4qms\|4qms]], [[4qmt\|4qmt]], [[4qmu\|4qmu]], [[4qmv\|4qmv]], [[4qmw\|4qmw]], [[4qmx\|4qmx]], [[4qmy\|4qmy]], [[4qmz\|4qmz]]</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='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=4qmm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qmm OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4qmm RCSB], [http://www.ebi.ac.uk/pdbsum/4qmm 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=4qmm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qmm OCA], [http://pdbe.org/4qmm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4qmm RCSB], [http://www.ebi.ac.uk/pdbsum/4qmm PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/STK24_HUMAN STK24_HUMAN]] Serine/threonine-protein kinase that acts on both serine and threonine residues and promotes apoptosis in response to stress stimuli and caspase activation. Mediates oxidative-stress-induced cell death by modulating phosphorylation of JNK1-JNK2 (MAPK8 and MAPK9), p38 (MAPK11, MAPK12, MAPK13 and MAPK14) during oxidative stress. Plays a role in a staurosporine-induced caspase-independent apoptotic pathway by regulating the nuclear translocation of AIFM1 and ENDOG and the DNase activity associated with ENDOG. Phosphorylates STK38L on 'Thr-442' and stimulates its kinase activity. Regulates cellular migration with alteration of PTPN12 activity and PXN phosphorylation: phosphorylates PTPN12 and inhibits its activity and may regulate PXN phosphorylation through PTPN12. May act as a key regulator of axon regeneration in the optic nerve and radial nerve.<ref>PMID:16314523</ref> <ref>PMID:17046825</ref> <ref>PMID:19604147</ref> <ref>PMID:19855390</ref> <ref>PMID:19782762</ref>		[[http://www.uniprot.org/uniprot/STK24_HUMAN STK24_HUMAN]] Serine/threonine-protein kinase that acts on both serine and threonine residues and promotes apoptosis in response to stress stimuli and caspase activation. Mediates oxidative-stress-induced cell death by modulating phosphorylation of JNK1-JNK2 (MAPK8 and MAPK9), p38 (MAPK11, MAPK12, MAPK13 and MAPK14) during oxidative stress. Plays a role in a staurosporine-induced caspase-independent apoptotic pathway by regulating the nuclear translocation of AIFM1 and ENDOG and the DNase activity associated with ENDOG. Phosphorylates STK38L on 'Thr-442' and stimulates its kinase activity. Regulates cellular migration with alteration of PTPN12 activity and PXN phosphorylation: phosphorylates PTPN12 and inhibits its activity and may regulate PXN phosphorylation through PTPN12. May act as a key regulator of axon regeneration in the optic nerve and radial nerve.<ref>PMID:16314523</ref> <ref>PMID:17046825</ref> <ref>PMID:19604147</ref> <ref>PMID:19855390</ref> <ref>PMID:19782762</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Increasing evidence suggests key roles for members of the mammalian Sterile20-like (MST) family of kinases in many aspects of biology. MST3 is a member of the STRIPAK complex, the deregulation of which has recently been associated with cancer cell migration and metastasis. Targeting MST3 with small-molecule inhibitors may be beneficial for the treatment of certain cancers, but little information exists on the potential of kinase inhibitor scaffolds to engage with MST3. In this study we screened MST3 against a library of 277 kinase inhibitors using differential scanning fluorimetry and confirmed 14 previously unknown MST3 inhibitors by X-ray crystallography. These compounds, of which eight are in clinical trials or FDA approved, comprise nine distinct chemical scaffolds that inhibit MST3 enzymatic activity with IC50 values between 0.003 and 23 mum. The structure-activity relationships explain the differential inhibitory activity of these compounds against MST3 and the structural basis for high binding potential, the information of which may serve as a framework for the rational design of MST3-selective inhibitors as potential therapeutics and to interrogate the function of this enzyme in diseased cells.
		+
		+	Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).,Olesen SH, Zhu JY, Martin MP, Schonbrunn E ChemMedChem. 2016 Jun 6;11(11):1137-44. doi: 10.1002/cmdc.201600115. Epub 2016, May 2. PMID:27135311<ref>PMID:27135311</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 4qmm" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 12:17, 1 July 2015

2015-07-01T12:17:09Z

←Older revision		Revision as of 12:17, 1 July 2015
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	==MST3 IN COMPLEX WITH AT-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM==
-		+	<StructureSection load='4qmm' size='340' side='right' caption='[[4qmm]], [[Resolution\|resolution]] 1.85Å' scene=''>
-	~~The entry 4qmm is ON HOLD until Paper Publication~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[4qmm]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QMM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4QMM FirstGlance]. <br>
-	~~Authors: Olesen, S.H., Watts, C., Zhu, J.-Y., Schonbrunn, E.~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=35R:1-CYCLOPROPYL-3-{3-[5-(MORPHOLIN-4-YLMETHYL)-1H-BENZIMIDAZOL-2-YL]-1H-PYRAZOL-4-YL}UREA'>35R</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
-		+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>
-	~~Description:~~ MST3 IN COMPLEX WITH AT-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qml\|4qml]], [[4qmn\|4qmn]], [[4qmo\|4qmo]], [[4qmp\|4qmp]], [[4qmq\|4qmq]], [[4qmr\|4qmr]], [[4qms\|4qms]], [[4qmt\|4qmt]], [[4qmu\|4qmu]], [[4qmv\|4qmv]], [[4qmw\|4qmw]], [[4qmx\|4qmx]], [[4qmy\|4qmy]], [[4qmz\|4qmz]]</td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	<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=4qmm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qmm OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4qmm RCSB], [http://www.ebi.ac.uk/pdbsum/4qmm PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/STK24_HUMAN STK24_HUMAN]] Serine/threonine-protein kinase that acts on both serine and threonine residues and promotes apoptosis in response to stress stimuli and caspase activation. Mediates oxidative-stress-induced cell death by modulating phosphorylation of JNK1-JNK2 (MAPK8 and MAPK9), p38 (MAPK11, MAPK12, MAPK13 and MAPK14) during oxidative stress. Plays a role in a staurosporine-induced caspase-independent apoptotic pathway by regulating the nuclear translocation of AIFM1 and ENDOG and the DNase activity associated with ENDOG. Phosphorylates STK38L on 'Thr-442' and stimulates its kinase activity. Regulates cellular migration with alteration of PTPN12 activity and PXN phosphorylation: phosphorylates PTPN12 and inhibits its activity and may regulate PXN phosphorylation through PTPN12. May act as a key regulator of axon regeneration in the optic nerve and radial nerve.<ref>PMID:16314523</ref> <ref>PMID:17046825</ref> <ref>PMID:19604147</ref> <ref>PMID:19855390</ref> <ref>PMID:19782762</ref>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Non-specific serine/threonine protein kinase]]
		+	[[Category: Olesen, S H]]
	[[Category: Schonbrunn, E]]		[[Category: Schonbrunn, E]]
-	[[Category: Zhu, J.-Y]]
-	[[Category: Olesen, S.H]]
	[[Category: Watts, C]]		[[Category: Watts, C]]
		+	[[Category: Zhu, J Y]]
		+	[[Category: Atp-binding]]
		+	[[Category: Mst3]]
		+	[[Category: Nucleotide-binding]]
		+	[[Category: Phosphoprotein]]
		+	[[Category: Protein kinase]]
		+	[[Category: Serine/threonine-transferase]]
		+	[[Category: Sterile 20-like kinase]]
		+	[[Category: Stk24]]
		+	[[Category: Transferase-transferase inhibitor complex]]

OCA at 15:55, 24 December 2014

2014-12-24T15:55:51Z

←Older revision		Revision as of 15:55, 24 December 2014
Line 6:		Line 6:

	Description: MST3 IN COMPLEX WITH AT-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM		Description: MST3 IN COMPLEX WITH AT-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM
		+	[[Category: Unreleased Structures]]
		+	[[Category: Schonbrunn, E]]
		+	[[Category: Zhu, J.-Y]]
		+	[[Category: Olesen, S.H]]
		+	[[Category: Watts, C]]

OCA at 07:24, 2 July 2014

2014-07-02T07:24:16Z

←Older revision		Revision as of 07:24, 2 July 2014
Line 5:		Line 5:
	Authors: Olesen, S.H., Watts, C., Zhu, J.-Y., Schonbrunn, E.		Authors: Olesen, S.H., Watts, C., Zhu, J.-Y., Schonbrunn, E.

-	Description: MST3 IN COMPLEX WITH AT-9283	+	Description: MST3 IN COMPLEX WITH AT-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM

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

2014-06-25T05:57:40Z

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

←Older revision

Revision as of 05:57, 25 June 2014

OCA: New page: '''Unreleased structure''' The entry 4qmm is ON HOLD until Paper Publication Authors: Olesen, S.H., Watts, C., Zhu, J.-Y., Schonbrunn, E. Description: MST3 IN COMPLEX WITH AT-9283

2014-06-25T05:57:39Z

New page: '''Unreleased structure''' The entry 4qmm is ON HOLD until Paper Publication Authors: Olesen, S.H., Watts, C., Zhu, J.-Y., Schonbrunn, E. Description: MST3 IN COMPLEX WITH AT-9283

New page

'''Unreleased structure'''

The entry 4qmm is ON HOLD until Paper Publication

Authors: Olesen, S.H., Watts, C., Zhu, J.-Y., Schonbrunn, E.

Description: MST3 IN COMPLEX WITH AT-9283