7QY0

X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 1

Summary for 7QY0

• Entry DOI: 10.2210/pdb7qy0/pdb
• Descriptor: Furin, N-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide, CALCIUM ION, ... (8 entities in total)
• Functional Keywords: proprotein convertase, inhibitor, sars-cov-2, protease, complex, furin, hydrolase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 53679.58

Authors

Dahms, S.O.,Brandstetter, H.,Pautsch, A. (deposition date: 2022-01-27, release date: 2022-04-20, Last modification date: 2024-01-31)

• Primary citation: Dahms, S.O.,Schnapp, G.,Winter, M.,Buttner, F.H.,Schleputz, M.,Gnamm, C.,Pautsch, A.,Brandstetter, H.; Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.; Acs Chem.Biol., 17:816-821, 2022; PubMed: 35377598; DOI: 10.1021/acschembio.2c00103

Experimental method

X-RAY DIFFRACTION (1.54 Å)