4ny9: Difference between revisions

From Proteopedia
Jump to navigationJump to search
← Older edit
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,328,572 edits
No edit summary
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,328,572 edits
No edit summary
 
(5 intermediate revisions by the same user not shown)
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]] 2.80&Aring;' scene=''>
<StructureSection load='4ny9' size='340' side='right'caption='[[4ny9]], [[Resolution|resolution]] 2.80&Aring;' 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 [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><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='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.8&#8491;</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='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>
<table>
<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>
<div style="background-color:#fffaf0;">
</table>
== Publication Abstract from PubMed ==
== Function ==
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.
[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>  
 
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&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
==See Also==
</div>
*[[Pregnane X receptor 3D structures|Pregnane X receptor 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Camac, D M.]]
[[Category: Homo sapiens]]
[[Category: Khan, J A.]]
[[Category: Large Structures]]
[[Category: Activation function]]
[[Category: Camac DM]]
[[Category: Af]]
[[Category: Khan JA]]
[[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]]
Retrieved from "https://proteopedia.org/4ny9"