7MRR

Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin

Summary for 7MRR

Entry DOI	10.2210/pdb7mrr/pdb
Related	7JYC 7K3T 7K40 7K6D 7K6E 7MNG
Related PRD ID	PRD_000216
Descriptor	3C-like proteinase, LEUPEPTIN, DIMETHYL SULFOXIDE, ... (4 entities in total)
Functional Keywords	sars-cov-2, main protease, 3clpro/mpro, leupeptin, viral protein, inhibitor, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2) More
Total number of polymer chains	2
Total formula weight	34567.66
Authors	Andi, B.,Kumaran, D.,Soares, A.S.,Kreitler, D.F.,Shi, W.,Jakoncic, J.,Fuchs, M.R.,Keereetaweep, J.,Shanklin, J.,McSweeney, S. (deposition date: 2021-05-08, release date: 2021-05-19, Last modification date: 2023-10-18)
Primary citation	Andi, B.,Kumaran, D.,Kreitler, D.F.,Soares, A.S.,Keereetaweep, J.,Jakoncic, J.,Lazo, E.O.,Shi, W.,Fuchs, M.R.,Sweet, R.M.,Shanklin, J.,Adams, P.D.,Schmidt, J.G.,Head, M.S.,McSweeney, S. Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12:12197-12197, 2022 Cited by PubMed: 35842458 DOI: 10.1038/s41598-022-15930-z PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.32 Å)

Structure validation