5hi4
From Proteopedia
(Difference between revisions)
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| - | '''Unreleased structure''' | ||
| - | + | ==Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists== | |
| + | <StructureSection load='5hi4' size='340' side='right' caption='[[5hi4]], [[Resolution|resolution]] 1.80Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[5hi4]] is a 7 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HI4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5HI4 FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=63P:(9S,17R)-6-chloro-N-methyl-9-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-10,19-dioxo-2-oxa-11,18-diazaspiro[cyclopentane-1,21-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1(24),3(29),4,6,12,14,22,25,27-nonaene-17-carboxamide'>63P</scene></td></tr> | ||
| + | <tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5hhv|5hhv]], [[5hhx|5hhx]], [[5hi3|5hi3]], [[5hi5|5hi5]]</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=5hi4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hi4 OCA], [http://pdbe.org/5hi4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5hi4 RCSB], [http://www.ebi.ac.uk/pdbsum/5hi4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5hi4 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [[http://www.uniprot.org/uniprot/IL17_HUMAN IL17_HUMAN]] Induces stromal cells to produce proinflammatory and hematopoietic cytokines. Enhances the surface expression of ICAM1/intracellular adhesion molecule 1 in fibroblasts. | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Interleukin-17A (IL-17A) is a principal driver of multiple inflammatory and immune disorders. Antibodies that neutralize IL-17A or its receptor (IL-17RA) deliver efficacy in autoimmune diseases, but no small-molecule IL-17A antagonists have yet progressed into clinical trials. Investigation of a series of linear peptide ligands to IL-17A and characterization of their binding site has enabled the design of novel macrocyclic ligands that are themselves potent IL-17A antagonists. | ||
| - | + | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.,Liu S, Dakin LA, Xing L, Withka JM, Sahasrabudhe PV, Li W, Banker ME, Balbo P, Shanker S, Chrunyk BA, Guo Z, Chen JM, Young JA, Bai G, Starr JT, Wright SW, Bussenius J, Tan S, Gopalsamy A, Lefker BA, Vincent F, Jones LH, Xu H, Hoth LR, Geoghegan KF, Qiu X, Bunnage ME, Thorarensen A Sci Rep. 2016 Aug 16;6:30859. doi: 10.1038/srep30859. PMID:27527709<ref>PMID:27527709</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| + | <div class="pdbe-citations 5hi4" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Liu, S]] | [[Category: Liu, S]] | ||
| + | [[Category: Il-17a]] | ||
| + | [[Category: Immune system-inhibitor complex]] | ||
| + | [[Category: Inhibitor]] | ||
| + | [[Category: Macrocycle]] | ||
| + | [[Category: Md simulation]] | ||
| + | [[Category: Psoriasis]] | ||
| + | [[Category: Sulfonyl fluoride]] | ||
Revision as of 13:55, 10 September 2016
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
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