5HI3

Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists

5HI3 の概要

• エントリーDOI: 10.2210/pdb5hi3/pdb
• 関連するPDBエントリー: 5HHV 5HHX 5HI4 5HI5
• 分子名称: Interleukin-17A, CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, ... (6 entities in total)
• 機能のキーワード: il-17a, psoriasis, md simulation, sulfonyl fluoride, inhibitor, macrocycle, immune system-inhibitor complex, immune system/inhibitor
• 由来する生物種: Homo sapiens (Human); 詳細
• 細胞内の位置: Secreted: Q16552
• タンパク質・核酸の鎖数: 7
• 化学式量合計: 128866.58

構造登録者

Liu, S. (登録日: 2016-01-11, 公開日: 2016-08-31, 最終更新日: 2024-10-23)

主引用文献

Liu, S.,Dakin, L.A.,Xing, L.,Withka, J.M.,Sahasrabudhe, P.V.,Li, W.,Banker, M.E.,Balbo, P.,Shanker, S.,Chrunyk, B.A.,Guo, Z.,Chen, J.M.,Young, J.A.,Bai, G.,Starr, J.T.,Wright, S.W.,Bussenius, J.,Tan, S.,Gopalsamy, A.,Lefker, B.A.,Vincent, F.,Jones, L.H.,Xu, H.,Hoth, L.R.,Geoghegan, K.F.,Qiu, X.,Bunnage, M.E.,Thorarensen, A.
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6:30859-30859, 2016

PubMed Abstract: 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.

PubMed: 27527709
DOI: 10.1038/srep30859

実験手法

X-RAY DIFFRACTION (2.15 Å)