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5ufr

From Proteopedia

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Revision as of 12:35, 23 September 2020

Structure of RORgt bound to

Structural highlights

5ufr is a 2 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:
Related:	5ufo
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

[RORG_HUMAN] Possible nuclear receptor for hydroxycholesterols, the binding of which strongly promotes coactivators recruitment. Essential for thymopoiesis and the development of several secondary lymphoid tissues, including lymph nodes. Involved in lineage specification of uncommitted CD4(+) T-helper cells into Th17 cells. Regulate the expression of several components of the circadian clock.

Publication Abstract from PubMed

A high-throughput screen of the ligand binding domain of the nuclear receptor retinoic acid-related orphan receptor gamma t (RORgammat) employing a thermal shift assay yielded a quinoline tertiary alcohol hit. Optimization of the 2-, 3- and 4-positions of the quinoline core using structure-activity relationships and structure-based drug design methods led to the discovery of a series of modulators with improved RORgammat inhibitory potency and inverse agonism properties.

Identification and structure activity relationships of quinoline tertiary alcohol modulators of RORgammat.,Kummer DA, Cummings MD, Abad M, Barbay J, Castro G, Wolin R, Kreutter KD, Maharoof U, Milligan C, Nishimura R, Pierce J, Schalk-Hihi C, Spurlino J, Urbanski M, Venkatesan H, Wang A, Woods C, Xue X, Edwards JP, Fourie AM, Leonard K Bioorg Med Chem Lett. 2017 Feb 21. pii: S0960-894X(17)30163-4. doi:, 10.1016/j.bmcl.2017.02.044. PMID:28318945^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Kummer DA, Cummings MD, Abad M, Barbay J, Castro G, Wolin R, Kreutter KD, Maharoof U, Milligan C, Nishimura R, Pierce J, Schalk-Hihi C, Spurlino J, Urbanski M, Venkatesan H, Wang A, Woods C, Xue X, Edwards JP, Fourie AM, Leonard K. Identification and structure activity relationships of quinoline tertiary alcohol modulators of RORgammat. Bioorg Med Chem Lett. 2017 Feb 21. pii: S0960-894X(17)30163-4. doi:, 10.1016/j.bmcl.2017.02.044. PMID:28318945 doi:http://dx.doi.org/10.1016/j.bmcl.2017.02.044

1 Structural highlights
2 Function
3 Publication Abstract from PubMed
4 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/5ufr"

Categories: Large Structures | Abad, M | Spurlino, J | Nuclear hormone receptor | Nuclear protein

@@ Line 1: / Line 1: @@
 ==Structure of RORgt bound to==
-<StructureSection load='5ufr' size='340' side='right' caption='[[5ufr]], [[Resolution|resolution]] 2.07&Aring;' scene=''>
+<StructureSection load='5ufr' size='340' side='right'caption='[[5ufr]], [[Resolution|resolution]] 2.07&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[5ufr]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5UFR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5UFR FirstGlance]. <br>
+<table><tr><td colspan='2'>[[5ufr]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5UFR OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5UFR FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=88J:(S)-[4-CHLORO-2-(DIMETHYLAMINO)-3-PHENYLQUINOLIN-6-YL](1-METHYL-1H-IMIDAZOL-5-YL)(PYRIDIN-4-YL)METHANOL'>88J</scene></td></tr>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=88J:(S)-[4-CHLORO-2-(DIMETHYLAMINO)-3-PHENYLQUINOLIN-6-YL](1-METHYL-1H-IMIDAZOL-5-YL)(PYRIDIN-4-YL)METHANOL'>88J</scene></td></tr>
 <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5ufo|5ufo]]</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=5ufr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ufr OCA], [http://pdbe.org/5ufr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ufr RCSB], [http://www.ebi.ac.uk/pdbsum/5ufr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ufr ProSAT]</span></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5ufr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ufr OCA], [http://pdbe.org/5ufr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ufr RCSB], [http://www.ebi.ac.uk/pdbsum/5ufr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ufr ProSAT]</span></td></tr>
 </table>
 == Function ==
@@ Line 23: / Line 23: @@
 __TOC__
 </StructureSection>
+[[Category: Large Structures]]
 [[Category: Abad, M]]
 [[Category: Spurlino, J]]
 [[Category: Nuclear hormone receptor]]
 [[Category: Nuclear protein]]

5ufr

From Proteopedia

Revision as of 12:35, 23 September 2020

Structure of RORgt bound to

Structural highlights

Function

Publication Abstract from PubMed

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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