7JUP

Structure of human TRPA1 in complex with antagonist compound 21

Summary for 7JUP

• Entry DOI: 10.2210/pdb7jup/pdb
• EMDB information: 22490
• Descriptor: Transient receptor potential cation channel subfamily A member 1, 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one (2 entities in total)
• Functional Keywords: trpa1, channel, agonist, membrane protein, membrane protein-antagonist complex, membrane protein/antagonist
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 292074.00

Authors

Rohou, A.,Rouge, L. (deposition date: 2020-08-20, release date: 2021-03-31, Last modification date: 2024-03-06)

• Primary citation: Terrett, J.A.,Chen, H.,Shore, D.G.,Villemure, E.,Larouche-Gauthier, R.,Dery, M.,Beaumier, F.,Constantineau-Forget, L.,Grand-Maitre, C.,Lepissier, L.,Ciblat, S.,Sturino, C.,Chen, Y.,Hu, B.,Lu, A.,Wang, Y.,Cridland, A.P.,Ward, S.I.,Hackos, D.H.,Reese, R.M.,Shields, S.D.,Chen, J.,Balestrini, A.,Riol-Blanco, L.,Lee, W.P.,Liu, J.,Suto, E.,Wu, X.,Zhang, J.,Ly, J.Q.,La, H.,Johnson, K.,Baumgardner, M.,Chou, K.J.,Rohou, A.,Rouge, L.,Safina, B.S.,Magnuson, S.,Volgraf, M.; Tetrahydrofuran-Based Transient Receptor Potential Ankyrin 1 (TRPA1) Antagonists: Ligand-Based Discovery, Activity in a Rodent Asthma Model, and Mechanism-of-Action via Cryogenic Electron Microscopy.; J.Med.Chem., 64:3843-3869, 2021; PubMed: 33749283; DOI: 10.1021/acs.jmedchem.0c02023

Experimental method

ELECTRON MICROSCOPY (3.05 Å)