9uwi: Difference between revisions

Line 1:

~~'''Unreleased structure'''~~

The ~~entry 9uwi~~ is ~~ON HOLD until Paper~~ Publication

==Cryo-EM structure of human V1aR bound with atosiban at a resolution of 2.8 angstrom==

== Structural highlights ==

<table><tr><td colspan='2'>[[9uwi]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] and [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9UWI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9UWI FirstGlance]. <br>

</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Electron Microscopy, [[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=A1EQM:(2~{R})-2-azanyl-3-(4-ethoxyphenyl)propanoic+acid'>A1EQM</scene>, <scene name='pdbligand=CLR:CHOLESTEROL'>CLR</scene>, <scene name='pdbligand=MPT:BETA-MERCAPTOPROPIONIC+ACID'>MPT</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene>, <scene name='pdbligand=ORN:L-ORNITHINE'>ORN</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=9uwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9uwi OCA], [https://pdbe.org/9uwi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9uwi RCSB], [https://www.ebi.ac.uk/pdbsum/9uwi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9uwi ProSAT]</span></td></tr>

</table>

== Function ==

[https://www.uniprot.org/uniprot/V1AR_HUMAN V1AR_HUMAN] Receptor for arginine vasopressin. The activity of this receptor is mediated by G proteins which activate a phosphatidyl-inositol-calcium second messenger system. Has been involved in social behaviors, including affiliation and attachment.

== Publication Abstract from PubMed ==

Arginine vasopressin (AVP) and oxytocin (OT) are peptide hormones critical for various physiological processes. Vasopressin receptor 1 A (V1aR), a primary AVP target, is promising for central nervous system (CNS) disorders therapies, yet the mechanisms of antagonism and oligomerization remain poorly understood. Here, we present structures of human V1aR in its apo state and in complexes with antagonists: atosiban, balovaptan, and SRX246. Structural analyses reveal a dimeric V1aR assembly, validated by functional assays and imaging in cells. The apo structure shows a flat extracellular loop 2 (ECL2) with unpaired cysteines, undergoing significant conformational changes upon ligand binding. Antagonist-bound structures, combined with mutagenesis and radioligand binding assays, uncover distinct binding modes and key determinants for antagonism and selectivity. These findings provide a comprehensive understanding of V1aR assembly and dynamic regulation, offering valuable insights for structure-guided development of new antagonists targeting dimeric V1aR for CNS disorders.

~~Authors~~:

Molecular basis of antagonism of the dimeric human arginine vasopressin receptor 1A.,Zhong P, Chu B, Yu Z, Qiao Y, Ding Y, Zhang Y, Wu X Nat Commun. 2026 Jan 16. doi: 10.1038/s41467-026-68331-5. PMID:41545407<ref>PMID:41545407</ref>

~~Description~~:

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

[[Category: ~~Unreleased~~ Structures]]

</div>

== References ==

__TOC__

</StructureSection>

[[Category: Homo sapiens]]

[[Category: Large Structures]]

[[Category: Synthetic construct]]

[[Category: Chu BX]]

[[Category: Wu XW]]

[[Category: Zhong PY]]

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@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
-The entry 9uwi is ON HOLD  until Paper Publication
+==Cryo-EM structure of human V1aR bound with atosiban at a resolution of 2.8 angstrom==
+<StructureSection load='9uwi' size='340' side='right'caption='[[9uwi]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[9uwi]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] and [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9UWI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9UWI FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Electron Microscopy, [[Resolution|Resolution]] 2.8&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A1EQM:(2~{R})-2-azanyl-3-(4-ethoxyphenyl)propanoic+acid'>A1EQM</scene>, <scene name='pdbligand=CLR:CHOLESTEROL'>CLR</scene>, <scene name='pdbligand=MPT:BETA-MERCAPTOPROPIONIC+ACID'>MPT</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene>, <scene name='pdbligand=ORN:L-ORNITHINE'>ORN</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=9uwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9uwi OCA], [https://pdbe.org/9uwi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9uwi RCSB], [https://www.ebi.ac.uk/pdbsum/9uwi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9uwi ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/V1AR_HUMAN V1AR_HUMAN] Receptor for arginine vasopressin. The activity of this receptor is mediated by G proteins which activate a phosphatidyl-inositol-calcium second messenger system. Has been involved in social behaviors, including affiliation and attachment.
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Arginine vasopressin (AVP) and oxytocin (OT) are peptide hormones critical for various physiological processes. Vasopressin receptor 1 A (V1aR), a primary AVP target, is promising for central nervous system (CNS) disorders therapies, yet the mechanisms of antagonism and oligomerization remain poorly understood. Here, we present structures of human V1aR in its apo state and in complexes with antagonists: atosiban, balovaptan, and SRX246. Structural analyses reveal a dimeric V1aR assembly, validated by functional assays and imaging in cells. The apo structure shows a flat extracellular loop 2 (ECL2) with unpaired cysteines, undergoing significant conformational changes upon ligand binding. Antagonist-bound structures, combined with mutagenesis and radioligand binding assays, uncover distinct binding modes and key determinants for antagonism and selectivity. These findings provide a comprehensive understanding of V1aR assembly and dynamic regulation, offering valuable insights for structure-guided development of new antagonists targeting dimeric V1aR for CNS disorders.
-Authors:
+Molecular basis of antagonism of the dimeric human arginine vasopressin receptor 1A.,Zhong P, Chu B, Yu Z, Qiao Y, Ding Y, Zhang Y, Wu X Nat Commun. 2026 Jan 16. doi: 10.1038/s41467-026-68331-5. PMID:41545407<ref>PMID:41545407</ref>
-Description:
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
+<div class="pdbe-citations 9uwi" style="background-color:#fffaf0;"></div>
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Homo sapiens]]
+[[Category: Large Structures]]
+[[Category: Synthetic construct]]
+[[Category: Chu BX]]
+[[Category: Wu XW]]
+[[Category: Zhong PY]]