7P4U

Crystal structure of PqsR (MvfR) ligand-binding domain in complex with 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE

7P4U の概要

• エントリーDOI: 10.2210/pdb7p4u/pdb
• 分子名称: Transcriptional regulator MvfR, ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-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: 1
• 化学式量合計: 26122.90

構造登録者

Schmelz, S.,Blankenfeldt, W. (登録日: 2021-07-13, 公開日: 2022-07-27, 最終更新日: 2024-01-31)

• 主引用文献: Hamed, M.M.,Abdelsamie, A.S.,Rox, K.,Schutz, C.,Kany, A.M.,Rohrig, T.,Schmelz, S.,Blankenfeldt, W.,Arce-Rodriguez, A.,Borrero-de Acuna, J.M.,Jahn, D.,Rademacher, J.,Ringshausen, F.C.,Cramer, N.,Tummler, B.,Hirsch, A.K.H.,Hartmann, R.W.,Empting, M.; Towards Translation of PqsR Inverse Agonists: From In Vitro Efficacy Optimization to In Vivo Proof-of-Principle.; Adv Sci, 10:e2204443-e2204443, 2023; PubMed: 36596691; DOI: 10.1002/advs.202204443

実験手法

X-RAY DIFFRACTION (2.74 Å)