5a7o - Revision history

OCA at 11:05, 10 January 2024

2024-01-10T11:05:13Z

←Older revision		Revision as of 11:05, 10 January 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5a7o]] is a 2 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=5A7O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5A7O FirstGlance]. <br>		<table><tr><td colspan='2'>[[5a7o]] is a 2 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=5A7O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5A7O FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7WH:2-[5-(2-METHOXYETHANOYLAMINO)-2-OXIDANYL-PHENYL]PYRIDINE-4-CARBOXYLIC+ACID'>7WH</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 2.15Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7WH:2-[5-(2-METHOXYETHANOYLAMINO)-2-OXIDANYL-PHENYL]PYRIDINE-4-CARBOXYLIC+ACID'>7WH</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=5a7o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a7o OCA], [https://pdbe.org/5a7o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5a7o RCSB], [https://www.ebi.ac.uk/pdbsum/5a7o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5a7o 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=5a7o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a7o OCA], [https://pdbe.org/5a7o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5a7o RCSB], [https://www.ebi.ac.uk/pdbsum/5a7o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5a7o ProSAT]</span></td></tr>
	</table>		</table>

OCA at 04:43, 25 May 2023

2023-05-25T04:43:33Z

←Older revision		Revision as of 04:43, 25 May 2023
Line 3:		Line 3:
	<StructureSection load='5a7o' size='340' side='right'caption='[[5a7o]], [[Resolution\|resolution]] 2.15Å' scene=''>		<StructureSection load='5a7o' size='340' side='right'caption='[[5a7o]], [[Resolution\|resolution]] 2.15Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5a7o]] is a 2 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=5A7O OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5A7O FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5a7o]] is a 2 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=5A7O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5A7O FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7WH:2-[5-(2-METHOXYETHANOYLAMINO)-2-OXIDANYL-PHENYL]PYRIDINE-4-CARBOXYLIC+ACID'>7WH</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>~~</td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7WH:2-[5-(2-METHOXYETHANOYLAMINO)-2-OXIDANYL-PHENYL]PYRIDINE-4-CARBOXYLIC+ACID'>7WH</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5a7n\|5a7n]], [[5a7p\|5a7p]], [[5a7q\|5a7q]], [[5a7s\|5a7s]]~~</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=5a7o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a7o OCA], [https://pdbe.org/5a7o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5a7o RCSB], [https://www.ebi.ac.uk/pdbsum/5a7o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5a7o 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=5a7o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a7o OCA], [~~http~~://pdbe.org/5a7o PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5a7o RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5a7o PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5a7o ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/KDM4A_HUMAN KDM4A_HUMAN]] Histone demethylase that specifically demethylates 'Lys-9' and 'Lys-36' residues of histone H3, thereby playing a central role in histone code. Does not demethylate histone H3 'Lys-4', H3 'Lys-27' nor H4 'Lys-20'. Demethylates trimethylated H3 'Lys-9' and H3 'Lys-36' residue, while it has no activity on mono- and dimethylated residues. Demethylation of Lys residue generates formaldehyde and succinate. Participates in transcriptional repression of ASCL2 and E2F-responsive promoters via the recruitment of histone deacetylases and NCOR1, respectively.<ref>PMID:16024779</ref> <ref>PMID:16603238</ref> <ref>PMID:21694756</ref> Isoform 2: Crucial for muscle differentiation, promotes transcriptional activation of the Myog gene by directing the removal of repressive chromatin marks at its promoter. Lacks the N-terminal demethylase domain.<ref>PMID:16024779</ref> <ref>PMID:16603238</ref> <ref>PMID:21694756</ref>	+	[https://www.uniprot.org/uniprot/KDM4A_HUMAN KDM4A_HUMAN] Histone demethylase that specifically demethylates 'Lys-9' and 'Lys-36' residues of histone H3, thereby playing a central role in histone code. Does not demethylate histone H3 'Lys-4', H3 'Lys-27' nor H4 'Lys-20'. Demethylates trimethylated H3 'Lys-9' and H3 'Lys-36' residue, while it has no activity on mono- and dimethylated residues. Demethylation of Lys residue generates formaldehyde and succinate. Participates in transcriptional repression of ASCL2 and E2F-responsive promoters via the recruitment of histone deacetylases and NCOR1, respectively.<ref>PMID:16024779</ref> <ref>PMID:16603238</ref> <ref>PMID:21694756</ref> Isoform 2: Crucial for muscle differentiation, promotes transcriptional activation of the Myog gene by directing the removal of repressive chromatin marks at its promoter. Lacks the N-terminal demethylase domain.<ref>PMID:16024779</ref> <ref>PMID:16603238</ref> <ref>PMID:21694756</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Arrowsmith~~, C H~~]]	+	[[Category: Arrowsmith CH]]
-	[[Category: Bountra, C]]	+	[[Category: Bountra C]]
-	~~[[Category: Delft, F von~~]]	+	[[Category: Edwards A]]
-	[[Category: Edwards, A]]	+	[[Category: Fujimori DG]]
-	[[Category: Fujimori~~, D G~~]]	+	[[Category: Gileadi C]]
-	[[Category: Gileadi, C]]	+	[[Category: Gregori-Puigjane E]]
-	[[Category: Gregori-Puigjane, E]]	+	[[Category: Iwasa E]]
-	[[Category: Iwasa, E]]	+	[[Category: Johansson C]]
-	[[Category: Johansson, C]]	+	[[Category: Korczynska M]]
-	[[Category: Korczynska, M]]	+	[[Category: Krojer T]]
-	[[Category: Krojer, T]]	+	[[Category: Le DD]]
-	[[Category: Le~~, D D~~]]	+	[[Category: Nowak R]]
-	[[Category: Nowak, R]]	+	[[Category: Oppermann U]]
-	[[Category: Oppermann, U]]	+	[[Category: Ortiz Torres I]]
-	[[Category: ~~Pinkas, D M~~]]	+	[[Category: Pinkas DM]]
-	[[Category: ~~Pollock, S B~~]]	+	[[Category: Pollock SB]]
-	[[Category: ~~Shoichet, B K~~]]	+	[[Category: Shoichet BK]]
-	[[Category: ~~Torres, I Ortiz~~]]	+	[[Category: Tumber A]]
-	[[Category: Tumber, A]]	+	[[Category: Velupillai S]]
-	[[Category: Velupillai, S]]	+	[[Category: Younger N]]
-	[[Category: Younger, N]]	+	[[Category: Von Delft F]]
-	[[Category: ~~Jmjd2a]]~~	+
-	~~[[Category: Kdm4a]]~~	+
-	~~[[Category: Oxidoreductase~~]]	+

OCA at 07:36, 4 March 2020

2020-03-04T07:36:44Z

←Older revision		Revision as of 07:36, 4 March 2020
Line 1:		Line 1:

	==Crystal structure of human JMJD2A in complex with compound 42==		==Crystal structure of human JMJD2A in complex with compound 42==
-	<StructureSection load='5a7o' size='340' side='right' caption='[[5a7o]], [[Resolution\|resolution]] 2.15Å' scene=''>	+	<StructureSection load='5a7o' size='340' side='right'caption='[[5a7o]], [[Resolution\|resolution]] 2.15Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5a7o]] is a 2 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=5A7O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5A7O FirstGlance]. <br>		<table><tr><td colspan='2'>[[5a7o]] is a 2 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=5A7O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5A7O FirstGlance]. <br>
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 5a7o" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5a7o" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Jumonji domain-containing protein 3D structures\|Jumonji domain-containing protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 24:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Arrowsmith, C H]]		[[Category: Arrowsmith, C H]]
	[[Category: Bountra, C]]		[[Category: Bountra, C]]

OCA at 20:25, 24 January 2018

2018-01-24T20:25:23Z

←Older revision		Revision as of 20:25, 24 January 2018
Line 3:		Line 3:
	<StructureSection load='5a7o' size='340' side='right' caption='[[5a7o]], [[Resolution\|resolution]] 2.15Å' scene=''>		<StructureSection load='5a7o' size='340' side='right' caption='[[5a7o]], [[Resolution\|resolution]] 2.15Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5a7o]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5A7O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5A7O FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5a7o]] is a 2 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=5A7O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5A7O FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7WH:2-[5-(2-METHOXYETHANOYLAMINO)-2-OXIDANYL-PHENYL]PYRIDINE-4-CARBOXYLIC+ACID'>7WH</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7WH:2-[5-(2-METHOXYETHANOYLAMINO)-2-OXIDANYL-PHENYL]PYRIDINE-4-CARBOXYLIC+ACID'>7WH</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5a7n\|5a7n]], [[5a7p\|5a7p]], [[5a7q\|5a7q]], [[5a7s\|5a7s]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5a7n\|5a7n]], [[5a7p\|5a7p]], [[5a7q\|5a7q]], [[5a7s\|5a7s]]</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=5a7o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a7o OCA], [http://pdbe.org/5a7o PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5a7o RCSB], [http://www.ebi.ac.uk/pdbsum/5a7o 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=5a7o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a7o OCA], [http://pdbe.org/5a7o PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5a7o RCSB], [http://www.ebi.ac.uk/pdbsum/5a7o PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5a7o ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 23:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Arrowsmith, C H]]		[[Category: Arrowsmith, C H]]
	[[Category: Bountra, C]]		[[Category: Bountra, C]]
-	[[Category: Delft, F ~~Von~~]]	+	[[Category: Delft, F von]]
	[[Category: Edwards, A]]		[[Category: Edwards, A]]
	[[Category: Fujimori, D G]]		[[Category: Fujimori, D G]]

OCA at 20:00, 9 March 2016

2016-03-09T20:00:54Z

←Older revision		Revision as of 20:00, 9 March 2016
Line 1:		Line 1:
		+
	==Crystal structure of human JMJD2A in complex with compound 42==		==Crystal structure of human JMJD2A in complex with compound 42==
	<StructureSection load='5a7o' size='340' side='right' caption='[[5a7o]], [[Resolution\|resolution]] 2.15Å' scene=''>		<StructureSection load='5a7o' size='340' side='right' caption='[[5a7o]], [[Resolution\|resolution]] 2.15Å' scene=''>

OCA at 20:15, 13 January 2016

2016-01-13T20:15:54Z

←Older revision		Revision as of 20:15, 13 January 2016
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of human JMJD2A in complex with compound 42==
		+	<StructureSection load='5a7o' size='340' side='right' caption='[[5a7o]], [[Resolution\|resolution]] 2.15Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5a7o]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5A7O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5A7O FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7WH:2-[5-(2-METHOXYETHANOYLAMINO)-2-OXIDANYL-PHENYL]PYRIDINE-4-CARBOXYLIC+ACID'>7WH</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5a7n\|5a7n]], [[5a7p\|5a7p]], [[5a7q\|5a7q]], [[5a7s\|5a7s]]</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=5a7o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a7o OCA], [http://pdbe.org/5a7o PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5a7o RCSB], [http://www.ebi.ac.uk/pdbsum/5a7o PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/KDM4A_HUMAN KDM4A_HUMAN]] Histone demethylase that specifically demethylates 'Lys-9' and 'Lys-36' residues of histone H3, thereby playing a central role in histone code. Does not demethylate histone H3 'Lys-4', H3 'Lys-27' nor H4 'Lys-20'. Demethylates trimethylated H3 'Lys-9' and H3 'Lys-36' residue, while it has no activity on mono- and dimethylated residues. Demethylation of Lys residue generates formaldehyde and succinate. Participates in transcriptional repression of ASCL2 and E2F-responsive promoters via the recruitment of histone deacetylases and NCOR1, respectively.<ref>PMID:16024779</ref> <ref>PMID:16603238</ref> <ref>PMID:21694756</ref> Isoform 2: Crucial for muscle differentiation, promotes transcriptional activation of the Myog gene by directing the removal of repressive chromatin marks at its promoter. Lacks the N-terminal demethylase domain.<ref>PMID:16024779</ref> <ref>PMID:16603238</ref> <ref>PMID:21694756</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Development of tool molecules that inhibit Jumonji demethylases allows for the investigation of cancer-associated transcription. While scaffolds such as 2,4-pyridinedicarboxylic acid (2,4-PDCA) are potent inhibitors, they exhibit limited selectivity. To discover new inhibitors for the KDM4 demethylases, enzymes overexpressed in several cancers, we docked a library of 600000 fragments into the high-resolution structure of KDM4A. Among the most interesting chemotypes were the 5-aminosalicylates, which docked in two distinct but overlapping orientations. Docking poses informed the design of covalently linked fragment compounds, which were further derivatized. This combined approach improved affinity by approximately 3 log-orders to yield compound 35 (Ki = 43 nM). Several hybrid inhibitors were selective for KDM4C over the related enzymes FIH, KDM2A, and KDM6B while lacking selectivity against the KDM3 and KDM5 subfamilies. Cocrystal structures corroborated the docking predictions. This study extends the use of structure-based docking from fragment discovery to fragment linking optimization, yielding novel KDM4 inhibitors.

-	~~The entry 5a7o is ON HOLD until Paper Publication~~	+	Docking and Linking of Fragments To Discover Jumonji Histone Demethylase Inhibitors.,Korczynska M, Le DD, Younger N, Gregori-Puigjane E, Tumber A, Krojer T, Velupillai S, Gileadi C, Nowak RP, Iwasa E, Pollock SB, Ortiz Torres I, Oppermann U, Shoichet BK, Fujimori DG J Med Chem. 2015 Dec 23. PMID:26699912<ref>PMID:26699912</ref>

-	~~Authors: Nowak~~, R.~~, Velupillai,~~ S.~~, Krojer, T~~.~~, Gileadi~~, C~~., Johansson~~, C., ~~Korczynska~~, ~~M., Le~~, D~~.D., Younger, N.~~, Gregori-Puigjane, E~~., Tumber, A.,~~ Iwasa, E~~., Pollock, S.B., Ortiz Torres, I., Pinkas, D.M., Von Delft, F., Arrowsmith~~, C~~.H., Bountra, C.~~, ~~Edwards, A., Shoichet, B.K., Fujimori, D.G., Oppermann, U.~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Crystal structure of human JMJD2A in complex with compound 42~~	+	<div class="pdbe-citations 5a7o" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Unreleased Structures~~]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Arrowsmith, C H]]
		+	[[Category: Bountra, C]]
		+	[[Category: Delft, F Von]]
		+	[[Category: Edwards, A]]
		+	[[Category: Fujimori, D G]]
		+	[[Category: Gileadi, C]]
		+	[[Category: Gregori-Puigjane, E]]
		+	[[Category: Iwasa, E]]
		+	[[Category: Johansson, C]]
		+	[[Category: Korczynska, M]]
		+	[[Category: Krojer, T]]
		+	[[Category: Le, D D]]
	[[Category: Nowak, R]]		[[Category: Nowak, R]]
-	[[Category: Ortiz Torres, I]]
-	[[Category: Pollock, S.B]]
-	[[Category: Fujimori, D.G]]
-	[[Category: Arrowsmith, C.H]]
-	[[Category: Le, D.D]]
-	[[Category: Gileadi, C]]
	[[Category: Oppermann, U]]		[[Category: Oppermann, U]]
-	[[Category: ~~Korczynska~~, M]]	+	[[Category: Pinkas, D M]]
		+	[[Category: Pollock, S B]]
		+	[[Category: Shoichet, B K]]
		+	[[Category: Torres, I Ortiz]]
		+	[[Category: Tumber, A]]
	[[Category: Velupillai, S]]		[[Category: Velupillai, S]]
-	[[Category: Von Delft, F]]
-	[[Category: Shoichet, B.K]]
	[[Category: Younger, N]]		[[Category: Younger, N]]
-	[[Category: ~~Iwasa, E~~]]	+	[[Category: Jmjd2a]]
-	[[Category: ~~Pinkas, D.M~~]]	+	[[Category: Kdm4a]]
-	[[Category: ~~Gregori-Puigjane, E]]~~	+	[[Category: Oxidoreductase]]
-	~~[[Category: Tumber, A]]~~	+
-	~~[[Category: Johansson, C]]~~	+
-	~~[[Category: Edwards, A]]~~	+
-	~~[[Category: Krojer, T]]~~	+
-	~~[[Category: Bountra, C~~]]	+

OCA at 00:22, 1 December 2015

2015-12-01T00:22:35Z

←Older revision		Revision as of 00:22, 1 December 2015
Line 9:		Line 9:
	[[Category: Nowak, R]]		[[Category: Nowak, R]]
	[[Category: Ortiz Torres, I]]		[[Category: Ortiz Torres, I]]
		+	[[Category: Pollock, S.B]]
		+	[[Category: Fujimori, D.G]]
		+	[[Category: Arrowsmith, C.H]]
		+	[[Category: Le, D.D]]
		+	[[Category: Gileadi, C]]
		+	[[Category: Oppermann, U]]
	[[Category: Korczynska, M]]		[[Category: Korczynska, M]]
	[[Category: Velupillai, S]]		[[Category: Velupillai, S]]
		+	[[Category: Von Delft, F]]
	[[Category: Shoichet, B.K]]		[[Category: Shoichet, B.K]]
	[[Category: Younger, N]]		[[Category: Younger, N]]
Line 17:		Line 24:
	[[Category: Gregori-Puigjane, E]]		[[Category: Gregori-Puigjane, E]]
	[[Category: Tumber, A]]		[[Category: Tumber, A]]
-	[[Category: Krojer, T]]
-	[[Category: Bountra, C]]
-	[[Category: Pollock, S.B]]
-	[[Category: Fujimori, D.G]]
-	[[Category: Arrowsmith, C.H]]
-	[[Category: Le, D.D]]
-	[[Category: Gileadi, C]]
-	[[Category: Oppermann, U]]
-	[[Category: Von Delft, F]]
	[[Category: Johansson, C]]		[[Category: Johansson, C]]
	[[Category: Edwards, A]]		[[Category: Edwards, A]]
		+	[[Category: Krojer, T]]
		+	[[Category: Bountra, C]]

OCA: Protected "5a7o" [edit=sysop:move=sysop]

2015-07-15T11:34:29Z

Protected "5a7o" [edit=sysop:move=sysop]

←Older revision

Revision as of 11:34, 15 July 2015

OCA: New page: '''Unreleased structure''' The entry 5a7o is ON HOLD until Paper Publication Authors: Nowak, R., Velupillai, S., Krojer, T., Gileadi, C., Johansson, C., Korczynska, M., Le, D.D., Younge...

2015-07-15T11:34:28Z

New page: '''Unreleased structure''' The entry 5a7o is ON HOLD until Paper Publication Authors: Nowak, R., Velupillai, S., Krojer, T., Gileadi, C., Johansson, C., Korczynska, M., Le, D.D., Younge...

New page

'''Unreleased structure'''

The entry 5a7o is ON HOLD until Paper Publication

Authors: Nowak, R., Velupillai, S., Krojer, T., Gileadi, C., Johansson, C., Korczynska, M., Le, D.D., Younger, N., Gregori-Puigjane, E., Tumber, A., Iwasa, E., Pollock, S.B., Ortiz Torres, I., Pinkas, D.M., Von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Shoichet, B.K., Fujimori, D.G., Oppermann, U.

Description: Crystal structure of human JMJD2A in complex with compound 42
[[Category: Unreleased Structures]]
[[Category: Nowak, R]]
[[Category: Ortiz Torres, I]]
[[Category: Korczynska, M]]
[[Category: Velupillai, S]]
[[Category: Shoichet, B.K]]
[[Category: Younger, N]]
[[Category: Iwasa, E]]
[[Category: Pinkas, D.M]]
[[Category: Gregori-Puigjane, E]]
[[Category: Tumber, A]]
[[Category: Krojer, T]]
[[Category: Bountra, C]]
[[Category: Pollock, S.B]]
[[Category: Fujimori, D.G]]
[[Category: Arrowsmith, C.H]]
[[Category: Le, D.D]]
[[Category: Gileadi, C]]
[[Category: Oppermann, U]]
[[Category: Von Delft, F]]
[[Category: Johansson, C]]
[[Category: Edwards, A]]