9IK2

The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H109

This is a non-PDB format compatible entry.

Summary for 9IK2

• Entry DOI: 10.2210/pdb9ik2/pdb
• Descriptor: 3C-like proteinase, tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate (3 entities in total)
• Functional Keywords: sars-cov-2 main protease, inhibitor, complex, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• Total number of polymer chains: 1
• Total formula weight: 34341.19

Authors

Feng, Y.,Zheng, W.Y.,Han, P.,Fu, L.F.,Qi, J.X. (deposition date: 2024-06-26, release date: 2024-07-31)

• Primary citation: Yuan, S.F.,Wang, J.,Sang, X.H.,Xie, Y.B.,Feng, Y.,Poon, V.,Chan, C.,Tsang, J.O.,Chik, K.,Zhou, J.,Xu, Y.,Han, P.,Zheng, W.Y.,Fu, L.F.,Huang, L.S.M.,Wu, M.X.,An, J.,Yuen, K.Y.,Qi, J.X.,Huang, Z.W.,Chan, J.F.; Structure-guided discovery of a small molecule inhibitor of SARS-CoV-2 main protease with potent in vitro and in vivo antiviral activities; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.8 Å)