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7BF6

Crystal structure of SARS-CoV-2 macrodomain in complex with remdesivir metabolite GS-441524

Summary for 7BF6
Entry DOI10.2210/pdb7bf6/pdb
DescriptorPapain-like protease nsp3, (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywordsnsp3, macrodomain, sars-cov-2, remdesivir, gs-441524, covid-19, structural genomics, structural genomics consortium, sgc, viral protein
Biological sourceSevere acute respiratory syndrome coronavirus 2
Total number of polymer chains3
Total formula weight57213.25
Authors
Ni, X.,Knapp, S.,Chaikuad, A.,Structural Genomics Consortium,Structural Genomics Consortium (SGC) (deposition date: 2020-12-31, release date: 2021-01-13, Last modification date: 2024-01-31)
Primary citationNi, X.,Schroder, M.,Olieric, V.,Sharpe, M.E.,Hernandez-Olmos, V.,Proschak, E.,Merk, D.,Knapp, S.,Chaikuad, A.
Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12:603-609, 2021
Cited by
PubMed: 33850605
DOI: 10.1021/acsmedchemlett.0c00684
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.15 Å)
Structure validation

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