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7MLF
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BU of 7mlf by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C7
Descriptor: 3C-like proteinase, N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide
Authors:Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M.
Deposit date:2021-04-28
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors.
Eur.J.Med.Chem., 229, 2021
7MLG
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BU of 7mlg by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C63
Descriptor: (2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide, 3C-like proteinase
Authors:Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M.
Deposit date:2021-04-28
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors.
Eur.J.Med.Chem., 229, 2021
7ZYX
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BU of 7zyx by Molmil
Dimeric i-motif from 2'Farabinocytidine-modified TC5
Descriptor: DNA (5'-D(*TP*(CFL)P*(CFL)P*(CFL)P*(CFL)P*(CFL))-3')
Authors:Garavis, M, El Khoury, R, Damha, M.J, Gonzalez, C.
Deposit date:2022-05-25
Release date:2023-03-01
Method:SOLUTION NMR
Cite:i-Motif folding intermediates with zero-nucleotide loops are trapped by 2'-fluoroarabinocytidine via F···H and O···H hydrogen bonds.
Commun Chem, 6, 2023

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PDB entries from 2024-06-12

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