4ny9 - Revision history

OCA at 12:36, 1 March 2024

OCA — Fri, 01 Mar 2024 12:36:29 GMT

←Older revision		Revision as of 12:36, 1 March 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4ny9]] 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=4NY9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4NY9 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4ny9]] 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=4NY9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4NY9 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2Q4:N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-3-HYDROXY-3-METHYLBUTANAMIDE'>2Q4</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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]] 2.8Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2Q4:N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-3-HYDROXY-3-METHYLBUTANAMIDE'>2Q4</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=4ny9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ny9 OCA], [https://pdbe.org/4ny9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ny9 RCSB], [https://www.ebi.ac.uk/pdbsum/4ny9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ny9 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=4ny9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ny9 OCA], [https://pdbe.org/4ny9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ny9 RCSB], [https://www.ebi.ac.uk/pdbsum/4ny9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ny9 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/NR1I2_HUMAN NR1I2_HUMAN] Nuclear receptor that binds and is activated by variety of endogenous and xenobiotic compounds. Transcription factor that activates the transcription of multiple genes involved in the metabolism and secretion of potentially harmful xenobiotics, drugs and endogenous compounds. Activated by the antibiotic rifampicin and various plant metabolites, such as hyperforin, guggulipid, colupulone, and isoflavones. Response to specific ligands is species-specific. Activated by naturally occurring steroids, such as pregnenolone and progesterone. Binds to a response element in the promoters of the CYP3A4 and ABCB1/MDR1 genes.<ref>PMID:9727070</ref> <ref>PMID:11668216</ref> <ref>PMID:11297522</ref> <ref>PMID:19297428</ref> <ref>PMID:12578355</ref> <ref>PMID:18768384</ref>		[https://www.uniprot.org/uniprot/NR1I2_HUMAN NR1I2_HUMAN] Nuclear receptor that binds and is activated by variety of endogenous and xenobiotic compounds. Transcription factor that activates the transcription of multiple genes involved in the metabolism and secretion of potentially harmful xenobiotics, drugs and endogenous compounds. Activated by the antibiotic rifampicin and various plant metabolites, such as hyperforin, guggulipid, colupulone, and isoflavones. Response to specific ligands is species-specific. Activated by naturally occurring steroids, such as pregnenolone and progesterone. Binds to a response element in the promoters of the CYP3A4 and ABCB1/MDR1 genes.<ref>PMID:9727070</ref> <ref>PMID:11668216</ref> <ref>PMID:11297522</ref> <ref>PMID:19297428</ref> <ref>PMID:12578355</ref> <ref>PMID:18768384</ref>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	High affinity, functionally potent, urea-based antagonists of CCR1 have been discovered. Modulation of PXR transactivation has revealed the selective and orally bioavailable CCR1 antagonist BMS-817399 (29), which entered clinical trials for the treatment of rheumatoid arthritis.
-
-	The Discovery of CCR1 Antagonist, BMS-817399, for the Treatment of Rheumatoid Arthritis.,Santella J, Duncia JV, Gardner D, Wu H, Dhar MT, Cavallaro CL, Tebben AJ, Carter PH, Barrish JC, Yarde M, Briceno S, Cvijic ME, Grafstrom R, Liu R, Patel S, Watson A, Yang G, Rose A, Vickery R, Caceres Cortes J, Caporuscio C, Camac D, Khan J, An Y, Foster W, Davies P, Hynes J J Med Chem. 2014 Aug 7. PMID:25101488<ref>PMID:25101488</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 4ny9" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
-	*[[Pregnane X receptor\|Pregnane X receptor]]	+	*[[Pregnane X receptor 3D structures\|Pregnane X receptor 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 08:45, 18 January 2023

OCA — Wed, 18 Jan 2023 08:45:51 GMT

←Older revision		Revision as of 08:45, 18 January 2023
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	==Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide==		==Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide==
-	<StructureSection load='4ny9' size='340' side='right' caption='[[4ny9]], [[Resolution\|resolution]] 2.80Å' scene=''>	+	<StructureSection load='4ny9' size='340' side='right'caption='[[4ny9]], [[Resolution\|resolution]] 2.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4ny9]] 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=4NY9 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4NY9 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4ny9]] 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=4NY9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4NY9 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2Q4:N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-3-HYDROXY-3-METHYLBUTANAMIDE'>2Q4</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>~~</td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2Q4:N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-3-HYDROXY-3-METHYLBUTANAMIDE'>2Q4</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">NR1I2, PXR ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])~~</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=4ny9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ny9 OCA], [https://pdbe.org/4ny9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ny9 RCSB], [https://www.ebi.ac.uk/pdbsum/4ny9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ny9 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=4ny9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ny9 OCA], [~~http~~://pdbe.org/4ny9 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4ny9 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4ny9 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4ny9 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/NR1I2_HUMAN NR1I2_HUMAN]] Nuclear receptor that binds and is activated by variety of endogenous and xenobiotic compounds. Transcription factor that activates the transcription of multiple genes involved in the metabolism and secretion of potentially harmful xenobiotics, drugs and endogenous compounds. Activated by the antibiotic rifampicin and various plant metabolites, such as hyperforin, guggulipid, colupulone, and isoflavones. Response to specific ligands is species-specific. Activated by naturally occurring steroids, such as pregnenolone and progesterone. Binds to a response element in the promoters of the CYP3A4 and ABCB1/MDR1 genes.<ref>PMID:9727070</ref> <ref>PMID:11668216</ref> <ref>PMID:11297522</ref> <ref>PMID:19297428</ref> <ref>PMID:12578355</ref> <ref>PMID:18768384</ref>	+	[https://www.uniprot.org/uniprot/NR1I2_HUMAN NR1I2_HUMAN] Nuclear receptor that binds and is activated by variety of endogenous and xenobiotic compounds. Transcription factor that activates the transcription of multiple genes involved in the metabolism and secretion of potentially harmful xenobiotics, drugs and endogenous compounds. Activated by the antibiotic rifampicin and various plant metabolites, such as hyperforin, guggulipid, colupulone, and isoflavones. Response to specific ligands is species-specific. Activated by naturally occurring steroids, such as pregnenolone and progesterone. Binds to a response element in the promoters of the CYP3A4 and ABCB1/MDR1 genes.<ref>PMID:9727070</ref> <ref>PMID:11668216</ref> <ref>PMID:11297522</ref> <ref>PMID:19297428</ref> <ref>PMID:12578355</ref> <ref>PMID:18768384</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 19:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 4ny9" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4ny9" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Pregnane X receptor\|Pregnane X receptor]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
-	[[Category: ~~Camac, D M~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Khan, J A~~]]	+	[[Category: Camac DM]]
-	[[Category: ~~Activation function]]~~	+	[[Category: Khan JA]]
-	~~[[Category: Af]]~~	+
-	~~[[Category: Ccr1]]~~	+
-	~~[[Category: Chemokine receptor-1]]~~	+
-	~~[[Category: Ligand binding domain]]~~	+
-	~~[[Category: Mdr1]]~~	+
-	~~[[Category: Multi-drug resistance gene-1]]~~	+
-	~~[[Category: Nr]]~~	+
-	~~[[Category: Nuclear receptor]]~~	+
-	~~[[Category: Pregnane x receptor]]~~	+
-	~~[[Category: Pxr]]~~	+
-	~~[[Category: Steroid receptor coactivator-1]]~~	+
-	~~[[Category: Transcription-transcription inhibitor complex~~]]	+

OCA at 08:19, 22 November 2017

OCA — Wed, 22 Nov 2017 08:19:14 GMT

←Older revision		Revision as of 08:19, 22 November 2017
Line 3:		Line 3:
	<StructureSection load='4ny9' size='340' side='right' caption='[[4ny9]], [[Resolution\|resolution]] 2.80Å' scene=''>		<StructureSection load='4ny9' size='340' side='right' caption='[[4ny9]], [[Resolution\|resolution]] 2.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4ny9]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NY9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4NY9 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4ny9]] 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=4NY9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4NY9 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2Q4:N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-3-HYDROXY-3-METHYLBUTANAMIDE'>2Q4</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2Q4:N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-3-HYDROXY-3-METHYLBUTANAMIDE'>2Q4</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">NR1I2, PXR ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=4ny9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ny9 OCA], [http://pdbe.org/4ny9 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4ny9 RCSB], [http://www.ebi.ac.uk/pdbsum/4ny9 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4ny9 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=4ny9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ny9 OCA], [http://pdbe.org/4ny9 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4ny9 RCSB], [http://www.ebi.ac.uk/pdbsum/4ny9 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4ny9 ProSAT]</span></td></tr>
	</table>		</table>
Line 22:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Camac, D M]]		[[Category: Camac, D M]]
	[[Category: Khan, J A]]		[[Category: Khan, J A]]

OCA at 14:45, 4 August 2016

OCA — Thu, 04 Aug 2016 14:45:18 GMT

←Older revision		Revision as of 14:45, 4 August 2016
Line 1:		Line 1:
		+
	==Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide==		==Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide==
	<StructureSection load='4ny9' size='340' side='right' caption='[[4ny9]], [[Resolution\|resolution]] 2.80Å' scene=''>		<StructureSection load='4ny9' size='340' side='right' caption='[[4ny9]], [[Resolution\|resolution]] 2.80Å' scene=''>
Line 4:		Line 5:
	<table><tr><td colspan='2'>[[4ny9]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NY9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4NY9 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4ny9]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NY9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4NY9 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2Q4:N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-3-HYDROXY-3-METHYLBUTANAMIDE'>2Q4</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2Q4:N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-3-HYDROXY-3-METHYLBUTANAMIDE'>2Q4</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></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=4ny9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ny9 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ny9 RCSB], [http://www.ebi.ac.uk/pdbsum/4ny9 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=4ny9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ny9 OCA], [http://pdbe.org/4ny9 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4ny9 RCSB], [http://www.ebi.ac.uk/pdbsum/4ny9 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4ny9 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 16:		Line 17:
	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 4ny9" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 10:14, 25 December 2014

OCA — Thu, 25 Dec 2014 10:14:03 GMT

←Older revision		Revision as of 10:14, 25 December 2014
Line 6:		Line 6:
	<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=4ny9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ny9 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ny9 RCSB], [http://www.ebi.ac.uk/pdbsum/4ny9 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=4ny9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ny9 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ny9 RCSB], [http://www.ebi.ac.uk/pdbsum/4ny9 PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/NR1I2_HUMAN NR1I2_HUMAN]] Nuclear receptor that binds and is activated by variety of endogenous and xenobiotic compounds. Transcription factor that activates the transcription of multiple genes involved in the metabolism and secretion of potentially harmful xenobiotics, drugs and endogenous compounds. Activated by the antibiotic rifampicin and various plant metabolites, such as hyperforin, guggulipid, colupulone, and isoflavones. Response to specific ligands is species-specific. Activated by naturally occurring steroids, such as pregnenolone and progesterone. Binds to a response element in the promoters of the CYP3A4 and ABCB1/MDR1 genes.<ref>PMID:9727070</ref> <ref>PMID:11668216</ref> <ref>PMID:11297522</ref> <ref>PMID:19297428</ref> <ref>PMID:12578355</ref> <ref>PMID:18768384</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 12:30, 10 December 2014

OCA — Wed, 10 Dec 2014 12:30:49 GMT

←Older revision		Revision as of 12:30, 10 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4ny9]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NY9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4NY9 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4ny9]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NY9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4NY9 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2Q4:N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-3-HYDROXY-3-METHYLBUTANAMIDE'>2Q4</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2Q4:N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-3-HYDROXY-3-METHYLBUTANAMIDE'>2Q4</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></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=4ny9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ny9 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ny9 RCSB], [http://www.ebi.ac.uk/pdbsum/4ny9 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=4ny9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ny9 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ny9 RCSB], [http://www.ebi.ac.uk/pdbsum/4ny9 PDBsum]</span></td></tr>
-	<table>	+	</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 18:		Line 18:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Camac, D M.]]	+	[[Category: Camac, D M]]
-	[[Category: Khan, J A.]]	+	[[Category: Khan, J A]]
	[[Category: Activation function]]		[[Category: Activation function]]
	[[Category: Af]]		[[Category: Af]]

OCA at 08:44, 27 August 2014

OCA — Wed, 27 Aug 2014 08:44:22 GMT

←Older revision		Revision as of 08:44, 27 August 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide==
		+	<StructureSection load='4ny9' size='340' side='right' caption='[[4ny9]], [[Resolution\|resolution]] 2.80Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4ny9]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NY9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4NY9 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2Q4:N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-3-HYDROXY-3-METHYLBUTANAMIDE'>2Q4</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene><br>
		+	<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=4ny9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ny9 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ny9 RCSB], [http://www.ebi.ac.uk/pdbsum/4ny9 PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	High affinity, functionally potent, urea-based antagonists of CCR1 have been discovered. Modulation of PXR transactivation has revealed the selective and orally bioavailable CCR1 antagonist BMS-817399 (29), which entered clinical trials for the treatment of rheumatoid arthritis.

-	The ~~entry 4ny9 is ON HOLD until Paper Publication~~	+	The Discovery of CCR1 Antagonist, BMS-817399, for the Treatment of Rheumatoid Arthritis.,Santella J, Duncia JV, Gardner D, Wu H, Dhar MT, Cavallaro CL, Tebben AJ, Carter PH, Barrish JC, Yarde M, Briceno S, Cvijic ME, Grafstrom R, Liu R, Patel S, Watson A, Yang G, Rose A, Vickery R, Caceres Cortes J, Caporuscio C, Camac D, Khan J, An Y, Foster W, Davies P, Hynes J J Med Chem. 2014 Aug 7. PMID:25101488<ref>PMID:25101488</ref>

-	~~Authors: Khan~~, J.A., Camac, D.M.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)~~-1-[~~(4S)-4-(4-chlorophenyl)-4~~-~~hydroxy-3,3-dimethylpiperidin~~-1~~-yl~~]~~-3-methyl~~-1-~~oxobutan-2-yl}-3-hydroxy-3-methylbutanamide~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Camac, D M.]]
		+	[[Category: Khan, J A.]]
		+	[[Category: Activation function]]
		+	[[Category: Af]]
		+	[[Category: Ccr1]]
		+	[[Category: Chemokine receptor-1]]
		+	[[Category: Ligand binding domain]]
		+	[[Category: Mdr1]]
		+	[[Category: Multi-drug resistance gene-1]]
		+	[[Category: Nr]]
		+	[[Category: Nuclear receptor]]
		+	[[Category: Pregnane x receptor]]
		+	[[Category: Pxr]]
		+	[[Category: Steroid receptor coactivator-1]]
		+	[[Category: Transcription-transcription inhibitor complex]]

OCA at 04:48, 13 February 2014

OCA — Thu, 13 Feb 2014 04:48:51 GMT

←Older revision		Revision as of 04:48, 13 February 2014
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4ny9 is ON HOLD	+	The entry 4ny9 is ON HOLD until Paper Publication

	Authors: Khan, J.A., Camac, D.M.		Authors: Khan, J.A., Camac, D.M.

	Description: Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide		Description: Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide

OCA at 07:38, 15 January 2014

OCA — Wed, 15 Jan 2014 07:38:48 GMT

←Older revision		Revision as of 07:38, 15 January 2014
Line 5:		Line 5:
	Authors: Khan, J.A., Camac, D.M.		Authors: Khan, J.A., Camac, D.M.

-	Description: Crystal Structure Of the Human PXR-LBD In Complex With N-(~~(1R~~)-1-(((4S 3 )-4-(4-~~CHLOROPHENYL~~)-4-~~HYDROXY~~-3,3-~~DIMETHYL~~-1-~~PIPERIDINYL) 4 CARBONYL)~~-2-~~METHYLPROPYL)~~-3-~~HYDROXY~~-3-~~METHYLBUTANAMIDE">~~	+	Description: Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide

OCA: Protected "4ny9" [edit=sysop:move=sysop]

OCA — Wed, 18 Dec 2013 09:27:03 GMT

Protected "4ny9" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:27, 18 December 2013