4WY3

Structure of SARS-3CL protease complex with a phenylbenzoyl (R,S)-N-decalin type inhibitor

Replaces:  4TWX

Summary for 4WY3

• Entry DOI: 10.2210/pdb4wy3/pdb
• Related: 3ATW
• Descriptor: 3C-like proteinase, (2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal (3 entities in total)
• Functional Keywords: hydrase proteinase converting, designed inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: SARS coronavirus (SARS-CoV)
• Total number of polymer chains: 1
• Total formula weight: 34303.21

Authors

Akaji, K.,Teruya, K.,Shimamoto, Y.,Sanjho, A.,Yamashita, E.,Nakagawa, A. (deposition date: 2014-11-15, release date: 2015-02-18, Last modification date: 2023-11-08)

• Primary citation: Shimamoto, Y.,Hattori, Y.,Kobayashi, K.,Teruya, K.,Sanjoh, A.,Nakagawa, A.,Yamashita, E.,Akaji, K.; Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors.; Bioorg.Med.Chem., 23:876-890, 2015; PubMed: 25614110; DOI: 10.1016/j.bmc.2014.12.028

Experimental method

X-RAY DIFFRACTION (1.89 Å)