7npb: Difference between revisions
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New page: '''Unreleased structure''' The entry 7npb is ON HOLD Authors: Centorrino, F., Ottmann, C. Description: Crystal structure of 14-3-3 sigma in complex with 20mer Amot-p130 peptide and fra... |
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==Crystal structure of 14-3-3 sigma in complex with 20mer Amot-p130 peptide and fragment 09== | |||
<StructureSection load='7npb' size='340' side='right'caption='[[7npb]], [[Resolution|resolution]] 1.37Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[7npb]] 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=7NPB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7NPB FirstGlance]. <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]] 1.37Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <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=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=7npb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7npb OCA], [https://pdbe.org/7npb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7npb RCSB], [https://www.ebi.ac.uk/pdbsum/7npb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7npb ProSAT]</span></td></tr> | |||
</table> | |||
<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> | |||
[[Category: | </div> | ||
[[Category: | <div class="pdbe-citations 7npb" style="background-color:#fffaf0;"></div> | ||
[[Category: Centorrino | |||
==See Also== | |||
*[[14-3-3 protein 3D structures|14-3-3 protein 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Homo sapiens]] | |||
[[Category: Large Structures]] | |||
[[Category: Centorrino F]] | |||
[[Category: Ottmann C]] | |||
Latest revision as of 09:01, 17 October 2024
Crystal structure of 14-3-3 sigma in complex with 20mer Amot-p130 peptide and fragment 09
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