7rke - Revision history

OCA at 16:32, 18 October 2023

2023-10-18T16:32:43Z

←Older revision		Revision as of 16:32, 18 October 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7rke]] 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=7RKE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7RKE FirstGlance]. <br>		<table><tr><td colspan='2'>[[7rke]] 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=7RKE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7RKE FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5VP:4-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol'>5VP</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]] 1.55Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5VP:4-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol'>5VP</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=7rke FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7rke OCA], [https://pdbe.org/7rke PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7rke RCSB], [https://www.ebi.ac.uk/pdbsum/7rke PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7rke 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=7rke FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7rke OCA], [https://pdbe.org/7rke PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7rke RCSB], [https://www.ebi.ac.uk/pdbsum/7rke PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7rke ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/ESR1_HUMAN ESR1_HUMAN]] Nuclear hormone receptor. The steroid hormones and their receptors are involved in the regulation of eukaryotic gene expression and affect cellular proliferation and differentiation in target tissues. Ligand-dependent nuclear transactivation involves either direct homodimer binding to a palindromic estrogen response element (ERE) sequence or association with other DNA-binding transcription factors, such as AP-1/c-Jun, c-Fos, ATF-2, Sp1 and Sp3, to mediate ERE-independent signaling. Ligand binding induces a conformational change allowing subsequent or combinatorial association with multiprotein coactivator complexes through LXXLL motifs of their respective components. Mutual transrepression occurs between the estrogen receptor (ER) and NF-kappa-B in a cell-type specific manner. Decreases NF-kappa-B DNA-binding activity and inhibits NF-kappa-B-mediated transcription from the IL6 promoter and displace RELA/p65 and associated coregulators from the promoter. Recruited to the NF-kappa-B response element of the CCL2 and IL8 promoters and can displace CREBBP. Present with NF-kappa-B components RELA/p65 and NFKB1/p50 on ERE sequences. Can also act synergistically with NF-kappa-B to activate transcription involving respective recruitment adjacent response elements; the function involves CREBBP. Can activate the transcriptional activity of TFF1. Also mediates membrane-initiated estrogen signaling involving various kinase cascades. Isoform 3 is involved in activation of NOS3 and endothelial nitric oxide production. Isoforms lacking one or several functional domains are thought to modulate transcriptional activity by competitive ligand or DNA binding and/or heterodimerization with the full length receptor. Isoform 3 can bind to ERE and inhibit isoform 1.<ref>PMID:7651415</ref> <ref>PMID:10970861</ref> <ref>PMID:9328340</ref> <ref>PMID:10681512</ref> <ref>PMID:10816575</ref> <ref>PMID:11477071</ref> <ref>PMID:11682626</ref> <ref>PMID:15078875</ref> <ref>PMID:16043358</ref> <ref>PMID:15891768</ref> <ref>PMID:16684779</ref> <ref>PMID:18247370</ref> <ref>PMID:17932106</ref> <ref>PMID:19350539</ref> <ref>PMID:20705611</ref> <ref>PMID:21937726</ref> <ref>PMID:21330404</ref> <ref>PMID:22083956</ref>	+	[https://www.uniprot.org/uniprot/ESR1_HUMAN ESR1_HUMAN] Nuclear hormone receptor. The steroid hormones and their receptors are involved in the regulation of eukaryotic gene expression and affect cellular proliferation and differentiation in target tissues. Ligand-dependent nuclear transactivation involves either direct homodimer binding to a palindromic estrogen response element (ERE) sequence or association with other DNA-binding transcription factors, such as AP-1/c-Jun, c-Fos, ATF-2, Sp1 and Sp3, to mediate ERE-independent signaling. Ligand binding induces a conformational change allowing subsequent or combinatorial association with multiprotein coactivator complexes through LXXLL motifs of their respective components. Mutual transrepression occurs between the estrogen receptor (ER) and NF-kappa-B in a cell-type specific manner. Decreases NF-kappa-B DNA-binding activity and inhibits NF-kappa-B-mediated transcription from the IL6 promoter and displace RELA/p65 and associated coregulators from the promoter. Recruited to the NF-kappa-B response element of the CCL2 and IL8 promoters and can displace CREBBP. Present with NF-kappa-B components RELA/p65 and NFKB1/p50 on ERE sequences. Can also act synergistically with NF-kappa-B to activate transcription involving respective recruitment adjacent response elements; the function involves CREBBP. Can activate the transcriptional activity of TFF1. Also mediates membrane-initiated estrogen signaling involving various kinase cascades. Isoform 3 is involved in activation of NOS3 and endothelial nitric oxide production. Isoforms lacking one or several functional domains are thought to modulate transcriptional activity by competitive ligand or DNA binding and/or heterodimerization with the full length receptor. Isoform 3 can bind to ERE and inhibit isoform 1.<ref>PMID:7651415</ref> <ref>PMID:10970861</ref> <ref>PMID:9328340</ref> <ref>PMID:10681512</ref> <ref>PMID:10816575</ref> <ref>PMID:11477071</ref> <ref>PMID:11682626</ref> <ref>PMID:15078875</ref> <ref>PMID:16043358</ref> <ref>PMID:15891768</ref> <ref>PMID:16684779</ref> <ref>PMID:18247370</ref> <ref>PMID:17932106</ref> <ref>PMID:19350539</ref> <ref>PMID:20705611</ref> <ref>PMID:21937726</ref> <ref>PMID:21330404</ref> <ref>PMID:22083956</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 7rke" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7rke" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Estrogen receptor 3D structures\|Estrogen receptor 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 03:52, 8 September 2022

2022-09-08T03:52:29Z

←Older revision		Revision as of 03:52, 8 September 2022
Line 1:		Line 1:

-	====	+	==Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol and GRIP Peptide==
-	<StructureSection load='7rke' size='340' side='right'caption='[[7rke]]' scene=''>	+	<StructureSection load='7rke' size='340' side='right'caption='[[7rke]], [[Resolution\|resolution]] 1.55Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id= OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol= FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7rke]] 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=7RKE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7RKE FirstGlance]. <br>
-	</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=7rke FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7rke OCA], [https://pdbe.org/7rke PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7rke RCSB], [https://www.ebi.ac.uk/pdbsum/7rke PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7rke ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5VP:4-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol'>5VP</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=7rke FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7rke OCA], [https://pdbe.org/7rke PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7rke RCSB], [https://www.ebi.ac.uk/pdbsum/7rke PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7rke ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/ESR1_HUMAN ESR1_HUMAN]] Nuclear hormone receptor. The steroid hormones and their receptors are involved in the regulation of eukaryotic gene expression and affect cellular proliferation and differentiation in target tissues. Ligand-dependent nuclear transactivation involves either direct homodimer binding to a palindromic estrogen response element (ERE) sequence or association with other DNA-binding transcription factors, such as AP-1/c-Jun, c-Fos, ATF-2, Sp1 and Sp3, to mediate ERE-independent signaling. Ligand binding induces a conformational change allowing subsequent or combinatorial association with multiprotein coactivator complexes through LXXLL motifs of their respective components. Mutual transrepression occurs between the estrogen receptor (ER) and NF-kappa-B in a cell-type specific manner. Decreases NF-kappa-B DNA-binding activity and inhibits NF-kappa-B-mediated transcription from the IL6 promoter and displace RELA/p65 and associated coregulators from the promoter. Recruited to the NF-kappa-B response element of the CCL2 and IL8 promoters and can displace CREBBP. Present with NF-kappa-B components RELA/p65 and NFKB1/p50 on ERE sequences. Can also act synergistically with NF-kappa-B to activate transcription involving respective recruitment adjacent response elements; the function involves CREBBP. Can activate the transcriptional activity of TFF1. Also mediates membrane-initiated estrogen signaling involving various kinase cascades. Isoform 3 is involved in activation of NOS3 and endothelial nitric oxide production. Isoforms lacking one or several functional domains are thought to modulate transcriptional activity by competitive ligand or DNA binding and/or heterodimerization with the full length receptor. Isoform 3 can bind to ERE and inhibit isoform 1.<ref>PMID:7651415</ref> <ref>PMID:10970861</ref> <ref>PMID:9328340</ref> <ref>PMID:10681512</ref> <ref>PMID:10816575</ref> <ref>PMID:11477071</ref> <ref>PMID:11682626</ref> <ref>PMID:15078875</ref> <ref>PMID:16043358</ref> <ref>PMID:15891768</ref> <ref>PMID:16684779</ref> <ref>PMID:18247370</ref> <ref>PMID:17932106</ref> <ref>PMID:19350539</ref> <ref>PMID:20705611</ref> <ref>PMID:21937726</ref> <ref>PMID:21330404</ref> <ref>PMID:22083956</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Despite continued interest in the development of nonsteroidal estrogens and antiestrogens, there are only a few chemotypes of estrogen receptor ligands. Using targeted screening in a ligand sensing assay, we identified a phenolic thieno[2,3-d]pyrimidine with affinity for estrogen receptor alpha. An efficient three-step synthesis of the heterocyclic core and structure-guided optimization of the substituents resulted in a series of potent nonsteroidal estrogens. The chemical tractability of the thieno[2,3-d]pyrimidine chemotype will support the design of new estrogen receptor ligands as therapeutic hormones and antihormones.
		+
		+	A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3-d]pyrimidine Core.,Sammeta VR, Norris JD, Artham S, Torrice CD, Byemerwa J, Joiner C, Fanning SW, McDonnell DP, Willson TM ACS Med Chem Lett. 2022 Jun 10;13(7):1151-1158. doi:, 10.1021/acsmedchemlett.2c00180. eCollection 2022 Jul 14. PMID:35859859<ref>PMID:35859859</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7rke" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Z-disk~~]]	+	[[Category: Fanning SW]]
		+	[[Category: Joiner C]]
		+	[[Category: McDonnell DP]]
		+	[[Category: Norris JD]]
		+	[[Category: Sammeta VKR]]
		+	[[Category: Willson TM]]

OCA at 09:45, 22 June 2022

2022-06-22T09:45:41Z

←Older revision		Revision as of 09:45, 22 June 2022
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-	'''Unreleased structure'''

-	~~The entry~~ 7rke ~~is ON HOLD until Paper Publication~~	+	====
-		+	<StructureSection load='7rke' size='340' side='right'caption='[[7rke]]' scene=''>
-	~~Authors~~: ~~Joiner, C~~.~~, Sammeta, V~~.K.R.~~, Norris, J~~.D.~~, McDonnell, D~~.P., ~~Willson, T~~.M.~~, Fanning, S~~.W.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id= OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol= FirstGlance]. <br>
-	~~Description: Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4~~-~~(((2-chloro-5-phenylthieno[2~~,~~3-d]pyrimidin-4-yl)amino)methyl)phenol and GRIP Peptide~~	+	</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=7rke FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7rke OCA], [https://pdbe.org/7rke PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7rke RCSB], [https://www.ebi.ac.uk/pdbsum/7rke PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7rke ProSAT]</span></td></tr>
-	[~~[Category~~: ~~Unreleased Structures~~]]	+	</table>
-	[~~[Category~~: ~~Norris, J~~.D]]	+	__TOC__
-	~~[[Category: Joiner~~, ~~C]]~~	+	</StructureSection>
-	[~~[Category~~: ~~Sammeta, V~~.K.R]]	+	[[Category: Large Structures]]
-	[~~[Category~~: ~~Fanning, S~~.W]]	+	[[Category: Z-disk]]
-	[[Category: ~~Mcdonnell, D.P~~]]	+
-	[[Category: ~~Willson, T.M~~]]	+

OCA at 07:40, 8 September 2021

2021-09-08T07:40:48Z

←Older revision		Revision as of 07:40, 8 September 2021
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7rke is ON HOLD	+	The entry 7rke is ON HOLD until Paper Publication

	Authors: Joiner, C., Sammeta, V.K.R., Norris, J.D., McDonnell, D.P., Willson, T.M., Fanning, S.W.		Authors: Joiner, C., Sammeta, V.K.R., Norris, J.D., McDonnell, D.P., Willson, T.M., Fanning, S.W.
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	Description: Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol and GRIP Peptide		Description: Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol and GRIP Peptide
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
		+	[[Category: Norris, J.D]]
		+	[[Category: Joiner, C]]
	[[Category: Sammeta, V.K.R]]		[[Category: Sammeta, V.K.R]]
	[[Category: Fanning, S.W]]		[[Category: Fanning, S.W]]
	[[Category: Mcdonnell, D.P]]		[[Category: Mcdonnell, D.P]]
-	[[Category: Norris, J.D]]
-	[[Category: Joiner, C]]
	[[Category: Willson, T.M]]		[[Category: Willson, T.M]]

OCA: Protected "7rke" [edit=sysop:move=sysop]

2021-07-28T09:39:52Z

Protected "7rke" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:39, 28 July 2021

OCA: New page: '''Unreleased structure''' The entry 7rke is ON HOLD Authors: Joiner, C., Sammeta, V.K.R., Norris, J.D., McDonnell, D.P., Willson, T.M., Fanning, S.W. Description: Estrogen Receptor Al...

2021-07-28T09:39:52Z

New page: '''Unreleased structure''' The entry 7rke is ON HOLD Authors: Joiner, C., Sammeta, V.K.R., Norris, J.D., McDonnell, D.P., Willson, T.M., Fanning, S.W. Description: Estrogen Receptor Al...

New page

'''Unreleased structure'''

The entry 7rke is ON HOLD

Authors: Joiner, C., Sammeta, V.K.R., Norris, J.D., McDonnell, D.P., Willson, T.M., Fanning, S.W.

Description: Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol and GRIP Peptide
[[Category: Unreleased Structures]]
[[Category: Sammeta, V.K.R]]
[[Category: Fanning, S.W]]
[[Category: Mcdonnell, D.P]]
[[Category: Norris, J.D]]
[[Category: Joiner, C]]
[[Category: Willson, T.M]]