6RPG

Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor

6RPG の概要

• エントリーDOI: 10.2210/pdb6rpg/pdb
• 分子名称: Programmed cell death 1 ligand 1, ~{N}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide (3 entities in total)
• 機能のキーワード: complex, inhibitor, cell cycle
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 30272.61

構造登録者

Magiera-Mularz, K.,Basu, S.,Yang, J.,Xu, B.,Skalniak, L.,Musielak, B.,Kholodovych, V.,Holak, T.A.,Hu, L. (登録日: 2019-05-14, 公開日: 2019-07-24, 最終更新日: 2024-01-24)

• 主引用文献: Basu, S.,Yang, J.,Xu, B.,Magiera-Mularz, K.,Skalniak, L.,Musielak, B.,Kholodovych, V.,Holak, T.A.,Hu, L.; Design, Synthesis, Evaluation, and Structural Studies ofC2-Symmetric Small Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction.; J.Med.Chem., 62:7250-7263, 2019; PubMed: 31298541; DOI: 10.1021/acs.jmedchem.9b00795

実験手法

X-RAY DIFFRACTION (2.7 Å)