8UDM

Crystal structure of SARS-CoV-2 3CL protease with inhibitor 16

Summary for 8UDM

• Entry DOI: 10.2210/pdb8udm/pdb
• Descriptor: 3C-like proteinase nsp5, 2-cyano-D-phenylalanyl-N-[(2S)-4-({3-[(5-amino-4H-1,2,4-triazol-3-yl)amino]propyl}amino)-1-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dichloro-D-phenylalaninamide, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: protease, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 34627.24

Authors

Forouhar, F.,Liu, H.,Zack, A.,Iketani, S.,Williams, A.,Vaz, D.R.,Habashi, D.L.,Resnick, S.J.,Chavez, A.,Ho, D.D.,Stockwell, B.R. (deposition date: 2023-09-28, release date: 2025-01-01)

• Primary citation: Liu, H.,Zack, A.,Forouhar, F.,Iketani, S.,Williams, A.,Vaz, D.R.,Habashi, D.L.,Choi, K.,Resnick, S.J.,Chavez, A.,Ho, D.D.,Stockwell, B.R.; Development of small molecule non-covalent coronovirus 3CL protease inhibitors from DNA-encoded chemical library screening; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.55 Å)