7QAV

Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound N-((2-(4-cyclopropylphenyl)thiazol-5-yl)methyl)-2-(trifluoromethyl)pyridin-4-amine

7QAV の概要

• エントリーDOI: 10.2210/pdb7qav/pdb
• 分子名称: Multiple virulence factor regulator MvfR, ~{N}-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (3 entities in total)
• 機能のキーワード: quorum sensing, lysr-type transcriptional regulator, pseudomonas, 2 quinolone signaling system, lttr, dna binding protein, gene regulation
• 由来する生物種: Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 75263.81

構造登録者

Schmelz, S.,Blankenfeldt, W. (登録日: 2021-11-17, 公開日: 2022-11-30, 最終更新日: 2024-06-12)

• 主引用文献: Abdelsamie, A.S.,Hamed, M.M.,Schutz, C.,Rohrig, T.,Kany, A.M.,Schmelz, S.,Blankenfeldt, W.,Hirsch, A.K.H.,Hartmann, R.W.,Empting, M.; Discovery and Optimization of Thiazole-Based Quorum Sensing Inhibitors as Potent Blockers of Pseudomonas Aeruginosa Pathogenicity; Ssrn, 2024; DOI: 10.2139/ssrn.4789988

実験手法

X-RAY DIFFRACTION (2.65 Å)