6nm8
From Proteopedia
(Difference between revisions)
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| - | '''Unreleased structure''' | ||
| - | + | ==IgV-V76T BMS compound 105== | |
| + | <StructureSection load='6nm8' size='340' side='right' caption='[[6nm8]], [[Resolution|resolution]] 2.79Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[6nm8]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6NM8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6NM8 FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=KSD:N-({2,6-dimethoxy-4-[(2-methyl[1,1-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine'>KSD</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=6nm8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6nm8 OCA], [http://pdbe.org/6nm8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6nm8 RCSB], [http://www.ebi.ac.uk/pdbsum/6nm8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6nm8 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [[http://www.uniprot.org/uniprot/PD1L1_HUMAN PD1L1_HUMAN]] Involved in the costimulatory signal, essential for T-cell proliferation and production of IL10 and IFNG, in an IL2-dependent and a PDCD1-independent manner. Interaction with PDCD1 inhibits T-cell proliferation and cytokine production.<ref>PMID:10581077</ref> <ref>PMID:11015443</ref> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The PD-1 immune checkpoint pathway is a highly validated target for cancer immunotherapy. Despite the potential advantages of small molecule inhibitors over antibodies, the discovery of small molecule checkpoint inhibitors has lagged behind. To discover small molecule inhibitors of the PD-1 pathway, we have utilized a fragment-based approach. Small molecules were identified that bind to PD-L1 and crystal structures of these compounds bound to PD-L1 were obtained. | ||
| - | + | Fragment-based screening of programmed death ligand 1 (PD-L1).,Perry E, Mills JJ, Zhao B, Wang F, Sun Q, Christov PP, Tarr JC, Rietz TA, Olejniczak ET, Lee T, Fesik S Bioorg Med Chem Lett. 2019 Mar 15;29(6):786-790. doi: 10.1016/j.bmcl.2019.01.028., Epub 2019 Jan 24. PMID:30728114<ref>PMID:30728114</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | <div class="pdbe-citations 6nm8" style="background-color:#fffaf0;"></div> | |
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Fesik, S]] | [[Category: Fesik, S]] | ||
[[Category: Perry, E]] | [[Category: Perry, E]] | ||
| + | [[Category: Zhao, B]] | ||
| + | [[Category: Cancer drug discovery]] | ||
| + | [[Category: Fragment-based screening]] | ||
| + | [[Category: Immune system]] | ||
| + | [[Category: Immune system-inhibitor complex]] | ||
| + | [[Category: Immunotherapy]] | ||
| + | [[Category: Pd-l1 inhibitor]] | ||
| + | [[Category: Structure-based design]] | ||
Revision as of 06:55, 21 February 2019
IgV-V76T BMS compound 105
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