7LTN

Crystal structure of Mpro in complex with inhibitor CDD-1713

Summary for 7LTN

Entry DOI	10.2210/pdb7ltn/pdb
Descriptor	3C-like proteinase, 2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide (3 entities in total)
Functional Keywords	sars-cov-2 main protease, nanomolar potency inhibitor, dna-encoded library, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV,SARS-CoV-2)
Total number of polymer chains	1
Total formula weight	34178.92
Authors	Lu, S.,Palzkill, T.,Matzuk, M.,Young, D.,Melek, N.,Chamakuri, S. (deposition date: 2021-02-19, release date: 2021-11-10, Last modification date: 2023-10-18)
Primary citation	Chamakuri, S.,Lu, S.,Ucisik, M.N.,Bohren, K.M.,Chen, Y.C.,Du, H.C.,Faver, J.C.,Jimmidi, R.,Li, F.,Li, J.Y.,Nyshadham, P.,Palmer, S.S.,Pollet, J.,Qin, X.,Ronca, S.E.,Sankaran, B.,Sharma, K.L.,Tan, Z.,Versteeg, L.,Yu, Z.,Matzuk, M.M.,Palzkill, T.,Young, D.W. DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 M pro inhibitors. Proc.Natl.Acad.Sci.USA, 118:-, 2021 Cited by PubMed: 34426525 DOI: 10.1073/pnas.2111172118 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.79 Å)

Structure validation