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7RC1

X-ray Structure of SARS-CoV main protease covalently modified by compound GRL-0686

Summary for 7RC1
Entry DOI10.2210/pdb7rc1/pdb
Descriptor3C-like proteinase, 5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate, DIMETHYL SULFOXIDE, ... (4 entities in total)
Functional Keywordssars-cov, 3clpro, mpro, 3cl, main, protease, inhibitor, covalent, structural genomics, center for structural genomics of infectious diseases, csgid, viral protein
Biological sourceSevere acute respiratory syndrome coronavirus (SARS-CoV)
Total number of polymer chains1
Total formula weight34725.15
Authors
Mesecar, A.D.,Anson, B.A.,Ghosh, A.K.,Center for Structural Genomics of Infectious Diseases (CSGID) (deposition date: 2021-07-07, release date: 2021-09-29, Last modification date: 2023-10-18)
Primary citationGhosh, A.K.,Raghavaiah, J.,Shahabi, D.,Yadav, M.,Anson, B.J.,Lendy, E.K.,Hattori, S.I.,Higashi-Kuwata, N.,Mitsuya, H.,Mesecar, A.D.
Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
J.Med.Chem., 64:14702-14714, 2021
Cited by
PubMed: 34528437
DOI: 10.1021/acs.jmedchem.1c01214
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.63 Å)
Structure validation

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