7nnd - Revision history

OCA at 12:37, 1 February 2024

OCA — Thu, 01 Feb 2024 12:37:19 GMT

←Older revision		Revision as of 12:37, 1 February 2024
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-	====	+	==Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 09==
-	<StructureSection load='7nnd' size='340' side='right'caption='[[7nnd]]' scene=''>	+	<StructureSection load='7nnd' size='340' side='right'caption='[[7nnd]], [[Resolution\|resolution]] 1.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id= OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol= FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7nnd]] is a 2 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=7NND OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7NND FirstGlance]. <br>
-	</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=7nnd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7nnd OCA], [https://pdbe.org/7nnd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7nnd RCSB], [https://www.ebi.ac.uk/pdbsum/7nnd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7nnd ProSAT]</span></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]] 1.4Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene>, <scene name='pdbligand=K7N:5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide'>K7N</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</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=7nnd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7nnd OCA], [https://pdbe.org/7nnd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7nnd RCSB], [https://www.ebi.ac.uk/pdbsum/7nnd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7nnd ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/AMOT_HUMAN AMOT_HUMAN] Plays a central role in tight junction maintenance via the complex formed with ARHGAP17, which acts by regulating the uptake of polarity proteins at tight junctions. Appears to regulate endothelial cell migration and tube formation. May also play a role in the assembly of endothelial cell-cell junctions.<ref>PMID:11257124</ref> <ref>PMID:16678097</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The modulation of protein-protein interactions (PPIs) has developed into a well-established field of drug discovery. Despite the advances achieved in the field, many PPIs are still deemed as 'undruggable' targets and the design of PPIs stabilizers remains a significant challenge. The application of fragment-based methods for the identification of drug leads and to evaluate the 'tractability' of the desired protein target has seen a remarkable development in recent years. In this study, we explore the molecular characteristics of the 14-3-3/Amot-p130 PPI and the conceptual possibility of targeting this interface using X-ray crystallography fragment-based screening. We report the first structural elucidation of the 14-3-3 binding motif of Amot-p130 and the characterization of the binding mode and affinities involved. We made use of fragments to probe the 'ligandability' of the 14-3-3/Amot-p130 composite binding pocket. Here we disclose initial hits with promising stabilizing activity and an early-stage selectivity toward the Amot-p130 motifs over other representatives 14-3-3 partners. Our findings highlight the potential of using fragments to characterize and explore proteins' surfaces and might provide a starting point toward the development of small molecules capable of acting as molecular glues.
		+
		+	Fragment-based exploration of the 14-3-3/Amot-p130 interface.,Centorrino F, Andlovic B, Cossar P, Brunsveld L, Ottmann C Curr Res Struct Biol. 2021 Dec 29;4:21-28. doi: 10.1016/j.crstbi.2021.12.003. , eCollection 2022. PMID:35036934<ref>PMID:35036934</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7nnd" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[14-3-3 protein 3D structures\|14-3-3 protein 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Z-disk~~]]	+	[[Category: Centorrino F]]
		+	[[Category: Ottmann C]]

OCA at 09:57, 12 January 2022

OCA — Wed, 12 Jan 2022 09:57:38 GMT

←Older revision		Revision as of 09:57, 12 January 2022
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-	'''Unreleased structure'''

-	~~The entry~~ 7nnd ~~is ON HOLD until Paper Publication~~	+	====
-		+	<StructureSection load='7nnd' size='340' side='right'caption='[[7nnd]]' scene=''>
-	~~Authors~~: ~~Centorrino, F~~.~~, Ottmann, C~~.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id= OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol= FirstGlance]. <br>
-	~~Description~~: ~~Crystal structure of 14~~-~~3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 09~~	+	</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=7nnd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7nnd OCA], [https://pdbe.org/7nnd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7nnd RCSB], [https://www.ebi.ac.uk/pdbsum/7nnd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7nnd ProSAT]</span></td></tr>
-	[[~~Category~~: ~~Unreleased Structures~~]]	+	</table>
-	[[Category: ~~Ottmann, C~~]]	+	__TOC__
-	[[Category: ~~Centorrino, F~~]]	+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Z-disk]]

OCA at 14:58, 10 March 2021

OCA — Wed, 10 Mar 2021 14:58:36 GMT

←Older revision		Revision as of 14:58, 10 March 2021
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7nnd is ON HOLD	+	The entry 7nnd is ON HOLD until Paper Publication

	Authors: Centorrino, F., Ottmann, C.		Authors: Centorrino, F., Ottmann, C.

OCA: Protected "7nnd" [edit=sysop:move=sysop]

OCA — Wed, 03 Mar 2021 13:37:03 GMT

Protected "7nnd" [edit=sysop:move=sysop]

←Older revision

Revision as of 13:37, 3 March 2021

OCA: New page: '''Unreleased structure''' The entry 7nnd is ON HOLD Authors: Centorrino, F., Ottmann, C. Description: Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fra...

OCA — Wed, 03 Mar 2021 13:37:02 GMT

New page: '''Unreleased structure''' The entry 7nnd is ON HOLD Authors: Centorrino, F., Ottmann, C. Description: Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fra...

New page

'''Unreleased structure'''

The entry 7nnd is ON HOLD

Authors: Centorrino, F., Ottmann, C.

Description: Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 09
[[Category: Unreleased Structures]]
[[Category: Ottmann, C]]
[[Category: Centorrino, F]]