2xx7: Difference between revisions

From Proteopedia
Jump to navigationJump to search
← Older editNewer edit →
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,332,843 edits
No edit summary
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,332,843 edits
No edit summary
Line 1: Line 1:
[[Image:2xx7.png|left|200px]]
==CRYSTAL STRUCTURE OF 1-(4-(1-PYRROLIDINYLCARBONYL)PHENYL)-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE IN COMPLEX WITH THE LIGAND BINDING DOMAIN OF THE RAT GLUA2 RECEPTOR AND GLUTAMATE AT 2.2A RESOLUTION.==
<StructureSection load='2xx7' size='340' side='right' caption='[[2xx7]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2xx7]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XX7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XX7 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1ND:1-[4-(1-PYRROLIDINYLCARBONYL)PHENYL]-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE'>1ND</scene>, <scene name='pdbligand=GLU:GLUTAMIC+ACID'>GLU</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">[[1m5c|1m5c]], [[1p1o|1p1o]], [[1mqh|1mqh]], [[1lb8|1lb8]], [[1p1u|1p1u]], [[1mm7|1mm7]], [[1nnp|1nnp]], [[1m5d|1m5d]], [[1p1q|1p1q]], [[1syi|1syi]], [[1mqd|1mqd]], [[2i3v|2i3v]], [[2i3w|2i3w]], [[1p1w|1p1w]], [[1my4|1my4]], [[1mxu|1mxu]], [[1n0t|1n0t]], [[2xxi|2xxi]], [[1mqi|1mqi]], [[1ftk|1ftk]], [[2anj|2anj]], [[1fto|1fto]], [[1my3|1my3]], [[1mxv|1mxv]], [[1p1n|1p1n]], [[2xx9|2xx9]], [[1syh|1syh]], [[1ftj|1ftj]], [[1lbb|1lbb]], [[1fw0|1fw0]], [[1m5e|1m5e]], [[1mxz|1mxz]], [[1mxy|1mxy]], [[2xx8|2xx8]], [[1mqg|1mqg]], [[2aix|2aix]], [[1m5b|1m5b]], [[1mxw|1mxw]], [[1ms7|1ms7]], [[1my0|1my0]], [[2xxh|2xxh]], [[1m5f|1m5f]], [[1xhy|1xhy]], [[1my1|1my1]], [[2cmo|2cmo]], [[1mm6|1mm6]], [[2al4|2al4]], [[1mxx|1mxx]], [[1ftl|1ftl]], [[2uxa|2uxa]], [[1wvj|1wvj]], [[1ftm|1ftm]], [[1lb9|1lb9]], [[1lbc|1lbc]], [[1nnk|1nnk]], [[1my2|1my2]], [[1mqj|1mqj]], [[2al5|2al5]], [[1gr2|1gr2]]</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=2xx7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xx7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2xx7 RCSB], [http://www.ebi.ac.uk/pdbsum/2xx7 PDBsum]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
A novel series of AMPAR positive modulators is described that were identified by high throughput screening. The molecules of the series have been optimized from a high quality starting point hit to afford excellent developability, tolerability, and efficacy profiles, leading to identification of a clinical candidate. Unusually for an ion channel target, this optimization was integrated with regular generation of ligand-bound crystal structures and uncovered a novel chemotype with a unique and highly conserved mode of interaction via a trifluoromethyl group.


{{STRUCTURE_2xx7|  PDB=2xx7  |  SCENE=  }}
Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of AMPA Receptor Positive Allosteric Modulators.,Ward SE, Harries M, Aldegheri L, Austin NE, Ballantine S, Ballini E, Bradley DM, Bax BD, Clarke BP, Harris AJ, Harrison SA, Melarange RA, Mookherjee C, Mosley J, Dal Negro G, Oliosi B, Smith KJ, Thewlis KM, Woollard PM, Yusaf SP J Med Chem. 2010 Dec 3. PMID:21128618<ref>PMID:21128618</ref>


===CRYSTAL STRUCTURE OF 1-(4-(1-PYRROLIDINYLCARBONYL)PHENYL)-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE IN COMPLEX WITH THE LIGAND BINDING DOMAIN OF THE RAT GLUA2 RECEPTOR AND GLUTAMATE AT 2.2A RESOLUTION.===
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 
</div>
{{ABSTRACT_PUBMED_21128618}}
 
==About this Structure==
[[2xx7]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XX7 OCA].


==See Also==
==See Also==
*[[Ionotropic Glutamate Receptors|Ionotropic Glutamate Receptors]]
*[[Ionotropic Glutamate Receptors|Ionotropic Glutamate Receptors]]
 
== References ==
==Reference==
<references/>
<ref group="xtra">PMID:021128618</ref><references group="xtra"/>
__TOC__
</StructureSection>
[[Category: Rattus norvegicus]]
[[Category: Rattus norvegicus]]
[[Category: Aldegheri, L.]]
[[Category: Aldegheri, L.]]
Retrieved from "https://proteopedia.org/2xx7"