7D3I

Crystal structure of SARS-CoV-2 main protease in complex with MI-23

Summary for 7D3I

• Entry DOI: 10.2210/pdb7d3i/pdb
• Descriptor: 3C-like proteinase, (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... (4 entities in total)
• Functional Keywords: coronavirus, protease, inhibitor, complex, viral protein., viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
• Total number of polymer chains: 1
• Total formula weight: 34409.19

Authors

Zeng, R.,Li, Y.S.,Qiao, J.X.,Wang, Y.F.,Yang, S.Y.,Lei, J. (deposition date: 2020-09-19, release date: 2020-10-07, Last modification date: 2023-11-29)

• Primary citation: Qiao, J.,Li, Y.S.,Zeng, R.,Liu, F.L.,Luo, R.H.,Huang, C.,Wang, Y.F.,Zhang, J.,Quan, B.,Shen, C.,Mao, X.,Liu, X.,Sun, W.,Yang, W.,Ni, X.,Wang, K.,Xu, L.,Duan, Z.L.,Zou, Q.C.,Zhang, H.L.,Qu, W.,Long, Y.H.,Li, M.H.,Yang, R.C.,Liu, X.,You, J.,Zhou, Y.,Yao, R.,Li, W.P.,Liu, J.M.,Chen, P.,Liu, Y.,Lin, G.F.,Yang, X.,Zou, J.,Li, L.,Hu, Y.,Lu, G.W.,Li, W.M.,Wei, Y.Q.,Zheng, Y.T.,Lei, J.,Yang, S.; SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.; Science, 371:1374-1378, 2021; PubMed: 33602867; DOI: 10.1126/science.abf1611

Experimental method

X-RAY DIFFRACTION (2.004 Å)