|
|
| Line 1: |
Line 1: |
| | | | |
| | ==Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions in Living Cancer Cells== | | ==Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions in Living Cancer Cells== |
| - | <StructureSection load='5olf' size='340' side='right'caption='[[5olf]], [[NMR_Ensembles_of_Models | 10 NMR models]]' scene=''> | + | <StructureSection load='5olf' size='340' side='right'caption='[[5olf]]' scene=''> |
| | == Structural highlights == | | == Structural highlights == |
| - | <table><tr><td colspan='2'>[[5olf]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5OLF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5OLF FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[5olf]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5OLF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5OLF FirstGlance]. <br> |
| - | </td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=9XQ:'>9XQ</scene></td></tr> | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9XQ:[azanyl-[(3-carboxyphenyl)amino]methylidene]azanium'>9XQ</scene></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=5olf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5olf OCA], [http://pdbe.org/5olf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5olf RCSB], [http://www.ebi.ac.uk/pdbsum/5olf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5olf ProSAT]</span></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=5olf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5olf OCA], [https://pdbe.org/5olf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5olf RCSB], [https://www.ebi.ac.uk/pdbsum/5olf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5olf ProSAT]</span></td></tr> |
| | </table> | | </table> |
| | <div style="background-color:#fffaf0;"> | | <div style="background-color:#fffaf0;"> |
| Line 20: |
Line 20: |
| | __TOC__ | | __TOC__ |
| | </StructureSection> | | </StructureSection> |
| | + | [[Category: Homo sapiens]] |
| | [[Category: Large Structures]] | | [[Category: Large Structures]] |
| - | [[Category: Brancaccio, D]] | + | [[Category: Brancaccio D]] |
| - | [[Category: Carotenuto, A]] | + | [[Category: Carotenuto A]] |
| - | [[Category: Cxcr4]]
| + | |
| - | [[Category: In-cell nmr]]
| + | |
| - | [[Category: Peptide binding protein]]
| + | |
| Structural highlights
Publication Abstract from PubMed
Peptide-binding G protein-coupled receptors (GPCRs) are key effectors in numerous pathological and physiological pathways. The assessment of the receptor-bound conformation of a peptidic ligand within a membrane receptor such as a GPCR is of great impact for a rational drug design of more potent analogues. In this work, we applied multiple ligand-based nuclear magnetic resonance (NMR) methods to study the interaction of peptide heptamers, derived from the C-X-C Motif Chemokine 12 (CXCL12), and the C-X-C Chemokine Receptor Type 4 (CXCR4) on membranes of human T-Leukemia cells (CCRF-CEM cells). This study represents the first structural investigation reporting the receptor-bound conformation of a peptide to a GPCR directly on a living cell. The results obtained in the field of CXCL12/CXCR4 are proofs of concept, although important information for researchers dealing with the CXCR4 field arises. General application of the presented NMR methodologies is possible and surely may help to boost the development of new therapeutic agents targeting GPCRs.
Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions on Living Cancer Cells.,Brancaccio D, Diana D, Di Maro S, Di Leva FS, Tomassi S, Fattorusso R, Russo L, Scala S, Trotta AM, Portella L, Novellino E, Marinelli L, Carotenuto A J Med Chem. 2018 Apr 12;61(7):2910-2923. doi: 10.1021/acs.jmedchem.7b01830. Epub , 2018 Mar 19. PMID:29522685[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Brancaccio D, Diana D, Di Maro S, Di Leva FS, Tomassi S, Fattorusso R, Russo L, Scala S, Trotta AM, Portella L, Novellino E, Marinelli L, Carotenuto A. Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions on Living Cancer Cells. J Med Chem. 2018 Apr 12;61(7):2910-2923. doi: 10.1021/acs.jmedchem.7b01830. Epub , 2018 Mar 19. PMID:29522685 doi:http://dx.doi.org/10.1021/acs.jmedchem.7b01830
|
