8BFW

The structures of Ace2 in complex with bicyclic peptide inhibitor

8BFW の概要

• エントリーDOI: 10.2210/pdb8bfw/pdb
• 分子名称: Processed angiotensin-converting enzyme 2, ALA-CYS-VAL-ARG-SER-HIS-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ... (4 entities in total)
• 機能のキーワード: cov-2-sars bind proteins, membrane protein
• 由来する生物種: Homo sapiens (human); 詳細
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 145868.86

構造登録者

Brear, P.,Lulla, A.,Harman, M.,Dods, R.,Chen, L.,Bezerra, G.,Demydchuk, Y.,Stanway, S.,Hyvonen, M. (登録日: 2022-10-27, 公開日: 2023-10-04, 最終更新日: 2023-10-11)

• 主引用文献: Harman, M.A.J.,Stanway, S.J.,Scott, H.,Demydchuk, Y.,Bezerra, G.A.,Pellegrino, S.,Chen, L.,Brear, P.,Lulla, A.,Hyvonen, M.,Beswick, P.J.,Skynner, M.J.; Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2.; J.Med.Chem., 66:9881-9893, 2023; PubMed: 37433017; DOI: 10.1021/acs.jmedchem.3c00710

実験手法

X-RAY DIFFRACTION (2.33 Å)