7JQ1
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI4
Summary for 7JQ1
Entry DOI | 10.2210/pdb7jq1/pdb |
Descriptor | 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-L-phenylalaninamide (3 entities in total) |
Functional Keywords | covid-19, sars-cov-2, main protease, reversible covalent inhibitors, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2, COVID-19 virus) |
Total number of polymer chains | 1 |
Total formula weight | 34396.18 |
Authors | |
Primary citation | Yang, K.S.,Ma, X.R.,Ma, Y.,Alugubelli, Y.R.,Scott, D.A.,Vatansever, E.C.,Drelich, A.K.,Sankaran, B.,Geng, Z.Z.,Blankenship, L.R.,Ward, H.E.,Sheng, Y.J.,Hsu, J.C.,Kratch, K.C.,Zhao, B.,Hayatshahi, H.S.,Liu, J.,Li, P.,Fierke, C.A.,Tseng, C.K.,Xu, S.,Liu, W.R. A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*. Chemmedchem, 16:942-948, 2021 Cited by PubMed: 33283984DOI: 10.1002/cmdc.202000924 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.65 Å) |
Structure validation
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