7NBW
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with a pyridin agonist
Summary for 7NBW
Entry DOI | 10.2210/pdb7nbw/pdb |
Descriptor | Transcriptional regulator MvfR, ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine (3 entities in total) |
Functional Keywords | quorum sensing, lysr-type transcriptional regulator, pseudomonas, 2 quinolone signaling system, lttr, dna binding protein |
Biological source | Pseudomonas aeruginosa PAO1 |
Total number of polymer chains | 1 |
Total formula weight | 25994.31 |
Authors | Schmelz, S.,Blankenfeldt, W. (deposition date: 2021-01-28, release date: 2021-10-06, Last modification date: 2024-01-31) |
Primary citation | Schutz, C.,Hodzic, A.,Hamed, M.,Abdelsamie, A.S.,Kany, A.M.,Bauer, M.,Rohrig, T.,Schmelz, S.,Scrima, A.,Blankenfeldt, W.,Empting, M. Divergent synthesis and biological evaluation of 2-(trifluoromethyl)pyridines as virulence-attenuating inverse agonists targeting PqsR. Eur.J.Med.Chem., 226:113797-113797, 2021 Cited by PubMed: 34520957DOI: 10.1016/j.ejmech.2021.113797 PDB entries with the same primary citation |
Experimental method |
Structure validation
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