8Q5K

PqsR coinducer binding domain of Pseudomonas aeruginosa with ligand 2t : 2-(4-(3-((6-chloro-1-(2-methoxyethyl)-1H-benzo[d]imidazol-2-yl)amino)-2-hydroxypropoxy)phenyl)acetonitrile

8Q5K の概要

• エントリーDOI: 10.2210/pdb8q5k/pdb
• 分子名称: Multiple virulence factor regulator MvfR, 2-[4-[(2~{S})-3-[[6-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: transcriptional regulator, transcription
• 由来する生物種: Pseudomonas aeruginosa UCBPP-PA14
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 24765.43

構造登録者

Markham-Lee, Z.J.,Emsley, J. (登録日: 2023-08-09, 公開日: 2024-01-17, 最終更新日: 2024-04-17)

• 主引用文献: Soukarieh, F.,Mashabi, A.,Richardson, W.,Oton, E.V.,Romero, M.,Dubern, J.F.,Robertson, S.N.,Lucanto, S.,Markham-Lee, Z.,Sou, T.,Kukavica-Ibrulj, I.,Levesque, R.C.,Bergstrom, C.A.S.,Halliday, N.,Kellam, B.,Emsley, J.,Heeb, S.,Williams, P.,Stocks, M.J.,Camara, M.; Design, Synthesis, and Evaluation of New 1 H -Benzo[ d ]imidazole Based PqsR Inhibitors as Adjuvant Therapy for Pseudomonas aeruginosa Infections.; J.Med.Chem., 67:1008-1023, 2024; PubMed: 38170170; DOI: 10.1021/acs.jmedchem.3c00973

実験手法

X-RAY DIFFRACTION (2.8 Å)