8USR

IL17A homodimer complexed to Compound 23

8USR の概要

• エントリーDOI: 10.2210/pdb8usr/pdb
• 分子名称: Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide (3 entities in total)
• 機能のキーワード: homodimer, inhibitor, del, cytokine
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 60090.84

構造登録者

Argiriadi, M.A.,Ramos, A.L. (登録日: 2023-10-29, 公開日: 2024-04-03, 最終更新日: 2024-05-01)

• 主引用文献: Ramos, A.L.,Goedken, E.R.,Frank, K.E.,Argiriadi, M.A.,Bazzaz, S.,Bian, Z.,Brown, J.T.C.,Centrella, P.A.,Chen, H.J.,Disch, J.S.,Donner, P.L.,Duignan, D.B.,Gikunju, D.,Greszler, S.N.,Guie, M.A.,Habeshian, S.,Hartl, H.E.,Hein, C.D.,Hutchins, C.W.,Jetson, R.,Keefe, A.D.,Khan, H.,Li, H.Q.,Olszewski, A.,Ortiz Cardona, B.J.,Osuma, A.,Panchal, S.C.,Phelan, R.,Qiu, W.,Shotwell, J.B.,Shrestha, A.,Srikumaran, M.,Su, Z.,Sun, C.,Upadhyay, A.K.,Wood, M.D.,Wu, H.,Zhang, R.,Zhang, Y.,Zhao, G.,Zhu, H.,Webster, M.P.; Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.; J.Med.Chem., 67:6456-6494, 2024; PubMed: 38574366; DOI: 10.1021/acs.jmedchem.3c02397

実験手法

X-RAY DIFFRACTION (1.83 Å)