Database of articles cited by EMDB/PDB/SASBDB data

Keywords
Structure methods	All X-ray diffraction NMR electron microscopy small angle scattering neutron diffraction fiber diffraction powder diffraction infrared spectroscopy EPR fluorescence transfer theoretical model Hybrid
Author
Journal
IF	>30 >20 >10 >5 all

Title	Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Journal, issue, pages	Nature, Vol. 622, Page 376-382, Year 2023
Publish date	Oct 8, 2022 (structure data deposition date)
Authors	Duan, Y. / Zhou, H. / Liu, X. / Iketani, S. / Lin, M. / Zhang, X. / Bian, Q. / Wang, H. / Sun, H. / Hong, S.J. ...Duan, Y. / Zhou, H. / Liu, X. / Iketani, S. / Lin, M. / Zhang, X. / Bian, Q. / Wang, H. / Sun, H. / Hong, S.J. / Culbertson, B. / Mohri, H. / Luck, M.I. / Zhu, Y. / Lu, Y. / Yang, X. / Yang, K. / Sabo, Y. / Chavez, A. / Goff, S.P. / Rao, Z. / Ho, D.D. / Yang, H.
External links	Nature / PubMed:37696289
Methods	X-ray diffraction
Resolution	1.45 - 2.3 Å
Structure data	PDB-8h3g: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166V Mutant in Complex with Inhibitor Enstrelvir Method: X-RAY DIFFRACTION / Resolution: 1.46 Å PDB-8h3k: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-8h3l: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Enstrelvir Method: X-RAY DIFFRACTION / Resolution: 2.3 Å PDB-8h4y: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) F140L Mutant in Complex with Inhibitor Nirmatrelvir Method: X-RAY DIFFRACTION / Resolution: 2.25 Å PDB-8h51: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Nirmatrelvir Method: X-RAY DIFFRACTION / Resolution: 2.18 Å PDB-8h57: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) A193P Mutant in Complex with Inhibitor Nirmatrelvir Method: X-RAY DIFFRACTION / Resolution: 1.55 Å PDB-8h5f: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) L167F Mutant in Complex with Inhibitor Nirmatrelvir Method: X-RAY DIFFRACTION / Resolution: 1.79 Å PDB-8h5p: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Nirmatrelvir Method: X-RAY DIFFRACTION / Resolution: 1.67 Å PDB-8h6i: The crystal structure of SARS-CoV-2 3C-like protease Double Mutant (L50F and E166V) in complex with a traditional Chinese Medicine Inhibitors Method: X-RAY DIFFRACTION / Resolution: 1.9 Å PDB-8h6n: Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (T21I) in complex with protease inhibitor Nirmatrelvir Method: X-RAY DIFFRACTION / Resolution: 1.65 Å PDB-8h7k: SARS-CoV-2 Mpro Double Mutant (H41A and T21I) in complex with nsp4/5 peptidyl substrate Method: X-RAY DIFFRACTION / Resolution: 1.45 Å PDB-8h7w: Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (S144A) in complex with protease inhibitor Nirmatrelvir Method: X-RAY DIFFRACTION / Resolution: 1.6 Å PDB-8h82: Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (E166V) in complex with protease inhibitor Nirmatrelvir Method: X-RAY DIFFRACTION / Resolution: 1.93 Å PDB-8hbk: The crystal structure of SARS-CoV-2 3CL protease in complex with Ensitrelvir Method: X-RAY DIFFRACTION / Resolution: 1.8 Å
Chemicals	ChemComp-7YY: 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione / medication, antivirus, protease inhibitorYM / Ensitrelvir ChemComp-GOL: GLYCEROL / Glycerol ChemComp-HOH: WATER / Water ChemComp-VIB: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM / medicationYM / Thiamine ChemComp-4WI: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide / medication, antivirus, protease inhibitorYM / Nirmatrelvir ChemComp-ODN: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one ChemComp-LQZ*: 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide / Lidocaine
Source	severe acute respiratory syndrome coronavirus 2
Keywords	VIRAL PROTEIN / SARS-CoV-2 / Mutant / COVID-19 / Protease