7QY2

X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 2

Summary for 7QY2

• Entry DOI: 10.2210/pdb7qy2/pdb
• Descriptor: Furin, (2R)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate, 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: 53721.60

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 (1.55 Å)