7TQ7

Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 13c

Summary for 7TQ7

• Entry DOI: 10.2210/pdb7tq7/pdb
• Descriptor: Orf1a protein, N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide, TETRAETHYLENE GLYCOL, ... (4 entities in total)
• Functional Keywords: protease, severe acute respiratory syndrome coronavirus 2, mers 3cl protease inhhibitors, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Middle East respiratory syndrome-related coronavirus
• Total number of polymer chains: 1
• Total formula weight: 34917.99

Authors

Lovell, S.,Liu, L.,Battaile, K.P.,Nguyen, H.N.,Chamandi, S.D.,Picard, H.R.,Madden, T.K.,Thruman, H.A.,Kim, Y.,Groutas, W.C.,Chang, K.O. (deposition date: 2022-01-26, release date: 2022-02-09, Last modification date: 2023-10-25)

• Primary citation: Dampalla, C.S.,Nguyen, H.N.,Rathnayake, A.D.,Kim, Y.,Perera, K.D.,Madden, T.K.,Thurman, H.A.,Machen, A.J.,Kashipathy, M.M.,Liu, L.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C.; Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.; Acs Pharmacol Transl Sci, 6:181-194, 2023; PubMed: 36654747; DOI: 10.1021/acsptsci.2c00206

Experimental method

X-RAY DIFFRACTION (1.7 Å)