9C80
 
 | | Co-structure of SARS-CoV-2 (COVID-19 with covalent inhibitor | | Descriptor: | (5R,7S,8R)-7-(2-fluorophenyl)-3-[(2-fluorophenyl)carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid, 3C-like proteinase nsp5 | | Authors: | Ornelas, E, Knapp, M.S. | | Deposit date: | 2024-06-11 | | Release date: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Identification of Potent, Broad-Spectrum Coronavirus Main Protease Inhibitors for Pandemic Preparedness.
J.Med.Chem., 2024
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9C8Q
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8U4Y
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9CSY
 | | SARS-CoV-2 papain-like protease (PLpro) bound to PF-07957472 | | Descriptor: | 2-methyl-5-(4-methylpiperazin-1-yl)-N-{1-[(2P)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]cyclopropyl}benzamide, Papain-like protease, ZINC ION, ... | | Authors: | Mashalidis, E.H, Chang, J.S, Wu, H, Garnsey, M. | | Deposit date: | 2024-07-24 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.595 Å) | | Cite: | Discovery of SARS-CoV-2 papain-like protease (PL pro ) inhibitors with efficacy in a murine infection model.
Sci Adv, 10, 2024
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9ATP
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8ZBQ
 | | Local map of Omicron Subvariant JN.1 RBD with ACE2 | | Descriptor: | Angiotensin-converting enzyme 2, Spike protein S2' | | Authors: | Yan, R.H, Yang, H.N. | | Deposit date: | 2024-04-27 | | Release date: | 2024-09-18 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Structural basis for the evolution and antibody evasion of SARS-CoV-2 BA.2.86 and JN.1 subvariants.
Nat Commun, 15, 2024
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8ZES
 | | Crystal structure of the Wuhan SARS-CoV-2 RBD (333-541) complexed with P2C5 nanobody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody P2C5, ... | | Authors: | Sluchanko, N.N, Varfolomeeva, L.A, Shcheblyakov, D.V, Logunov, D.Y, Gintsburg, A.L, Popov, V.O, Boyko, K.M. | | Deposit date: | 2024-05-06 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structural Basis for Evasion of New SARS-CoV-2 Variants from the Potent Virus-Neutralizing Nanobody Targeting the S-Protein Receptor-Binding Domain.
Biochemistry Mosc., 89, 2024
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8ZER
 | | Crystal structure of the complex of Wuhan SARS-CoV-2 RBD (319-541) with P2C5 nanobody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody P2C5, Spike protein S1, ... | | Authors: | Sluchanko, N.N, Varfolomeeva, L.A, Shcheblyakov, D.V, Logunov, D.Y, Gintsburg, A.L, Popov, V.O, Boyko, K.M. | | Deposit date: | 2024-05-06 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis for Evasion of New SARS-CoV-2 Variants from the Potent Virus-Neutralizing Nanobody Targeting the S-Protein Receptor-Binding Domain.
Biochemistry Mosc., 89, 2024
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8KEH
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9FQ9
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalently bound inhibitor PSB-21110 (compound 29b in publication) | | Descriptor: | (5-chloranylpyridin-3-yl) 4-ethoxy-2-fluoranyl-benzoate, BROMIDE ION, Non-structural protein 11 | | Authors: | Strater, N, Claff, T, Sylvester, K, Oneto, A, Guetschow, M, Mueller, C.E. | | Deposit date: | 2024-06-19 | | Release date: | 2024-08-28 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Nonpeptidic Irreversible Inhibitors of SARS-CoV-2 Main Protease with Potent Antiviral Activity.
J.Med.Chem., 67, 2024
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9FEH
 | | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the STM957 inhibitor | | Descriptor: | Transcription factor ETV6,Guanine-N7 methyltransferase nsp14, ZINC ION, ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-pyridin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-cyano-~{N}-ethyl-4-methoxy-benzenesulfonamide | | Authors: | Zilecka, E, Klima, M, Boura, E. | | Deposit date: | 2024-05-20 | | Release date: | 2024-08-28 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure of SARS-CoV-2 MTase nsp14 with the inhibitor STM957 reveals inhibition mechanism that is shared with a poxviral MTase VP39.
J Struct Biol X, 10, 2024
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8YE4
 | | The complex of TCR NYN-I and HLA-A24 bound to SARS-CoV-2 Spike448-456 peptide NYNYLYRLF | | Descriptor: | Beta-2-microglobulin, MHC class I antigen precusor, Spike protein S1, ... | | Authors: | Deng, S.S, Jin, T.C, Xu, Z.H, Wang, M.H. | | Deposit date: | 2024-02-21 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural insights into immune escape at killer T cell epitope by SARS-CoV-2 Spike Y453F variants.
J.Biol.Chem., 300, 2024
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8ZV9
 | | Complex structure of HLA2402 with recognizing SARS-CoV-2 Y453F epitope NYNYLFRLF | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, MHC class I antigen, ... | | Authors: | Deng, S.S, Jin, T.C, Xu, Z.H, Wang, M.H. | | Deposit date: | 2024-06-11 | | Release date: | 2024-08-21 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural insights into immune escape at killer T cell epitope by SARS-CoV-2 Spike Y453F variants.
J.Biol.Chem., 300, 2024
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9FJK
 | | Omicron BA.1 Spike protein with neutralizing NTD specific mAb K501SP6 | | Descriptor: | K501SP6 Fv Heavy Chain, K501SP6 Fv Light Chain, Spike glycoprotein,Fibritin | | Authors: | Bjoernsson, K.H, Walker, M.R, Raghavan, S.S.R, Ward, A.B, Barfod, L.K. | | Deposit date: | 2024-05-31 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Omicron BA.1 Spike protein with neutralizing NTD specific mAb K501SP6
To Be Published
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8VDJ
 | | Crystal structure of SARS-CoV-2 3CL protease (3CLpro) as a covalent complex with EDP-235 | | Descriptor: | 3C-like proteinase nsp5, 4,6,7-trifluoro-N-{(2S)-1-[(3R,5'R)-5'-(iminomethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-1'-yl]-4-methyl-1-oxopentan-2-yl}-N-methyl-1H-indole-2-carboxamide, THIOCYANATE ION | | Authors: | Cade, I.A, Rhodin, M.H.J. | | Deposit date: | 2023-12-15 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | The small molecule inhibitor of SARS-CoV-2 3CLpro EDP-235 prevents viral replication and transmission in vivo.
Nat Commun, 15, 2024
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8KER
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8KDT
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8KDS
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8KEP
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8KDM
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8KDR
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8KEO
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8KEK
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8KEQ
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8KEJ
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