5ABJ
| Structure of Coxsackievirus A16 in complex with GPP3 | Descriptor: | 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, CHLORIDE ION, SODIUM ION, ... | Authors: | De Colibus, L, Wang, X, Tijsma, A, Neyts, J, Spyrou, J.A.B, Ren, J, Grimes, J.M, Puerstinger, G, Leyssen, P, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2015-08-06 | Release date: | 2015-09-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure Elucidation of Coxsackievirus A16 in Complex with Gpp3 Informs a Systematic Review of Highly Potent Capsid Binders to Enteroviruses. Plos Pathog., 11, 2015
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4PDW
| A benzonitrile analogue inhibits rhinovirus replication | Descriptor: | 4-[(4,5-dimethoxy-2-nitrophenyl)acetyl]benzonitrile, Capsid protein VP4/VP2, GLYCEROL, ... | Authors: | Querol-Audi, J, Guerra, P, Lacroix, C, Roche, M, Franco, D, Froeyen, M, Terme, T, Vanelle, P, Neyts, J, Leyssen, P, Verdaguer, N. | Deposit date: | 2014-04-22 | Release date: | 2014-07-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A novel benzonitrile analogue inhibits rhinovirus replication. J.Antimicrob.Chemother., 69, 2014
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6DIZ
| EV-A71 strain 11316 complexed with tryptophan dendrimer MADAL_0385 | Descriptor: | SPHINGOSINE, VP1, VP2, ... | Authors: | Sun, L, Lee, H, Thibaut, H.J, Rivero-Buceta, E, Martinez-Gualda, B, Delang, L, Leyssen, P, Gago, F, San-Felix, A, Hafenstein, S, Mirabelli, C, Neyts, J. | Deposit date: | 2018-05-24 | Release date: | 2019-04-24 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Viral engagement with host (co-)receptors blocked by a novel class of tryptophan dendrimers that targets the 5-fold-axis of the enterovirus-A71 capsid. Plos Pathog., 15, 2019
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7B3E
| Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | Descriptor: | 1,2-ETHANEDIOL, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | Deposit date: | 2020-11-30 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen. Acs Pharmacol Transl Sci, 4, 2021
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7SL5
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8ERR
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8ERQ
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7O46
| Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 17 | Descriptor: | 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5 | Authors: | Talibov, V.O. | Deposit date: | 2021-04-05 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
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4Y2A
| Crystal Structure of Coxsackie Virus B3 3D polymerase in complex with GPC-N114 inhibitor | Descriptor: | 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ... | Authors: | Vives-Adrian, L, Ferrer-Orta, C, Verdaguer, N. | Deposit date: | 2015-02-09 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family. Plos Pathog., 11, 2015
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4Y34
| Crystal Structure of Coxsackievirus B3 3D polymerase in complex with GPC-N143 | Descriptor: | 2,2'-[(4-fluorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ... | Authors: | Vives-Adrian, L, Ferrer-Orta, C, Cerdaguer, N. | Deposit date: | 2015-02-10 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family. Plos Pathog., 11, 2015
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4Y3C
| I304V 3D polymerase mutant of EMCV | Descriptor: | 3D polymerase, CHLORIDE ION, GLYCEROL | Authors: | Verdaguer, N, Ferrer-Orta, C, Vives-Adrian, L. | Deposit date: | 2015-02-10 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family. Plos Pathog., 11, 2015
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4Y2C
| M300V 3D polymerase mutant of EMCV | Descriptor: | GLYCEROL, Genome polyprotein | Authors: | Verdaguer, N, Ferrer-Orta, C, Vives-Adrian, L. | Deposit date: | 2015-02-09 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family. Plos Pathog., 11, 2015
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7P40
| P5C3 is a potent fab neutralizer | Descriptor: | Spike glycoprotein, Variable Heavy Chain P5C3 (VH), Variable Light Chain P5C3 (VL) | Authors: | perez, L. | Deposit date: | 2021-07-09 | Release date: | 2021-10-13 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A highly potent antibody effective against SARS-CoV-2 variants of concern. Cell Rep, 37, 2021
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7PHG
| MaP OF P5C3RBD Interface | Descriptor: | Heavy ChaIn variable, Light ChaIn, Surface glycoprotein | Authors: | Perez, L. | Deposit date: | 2021-08-17 | Release date: | 2021-10-13 | Last modified: | 2021-10-27 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | A highly potent antibody effective against SARS-CoV-2 variants of concern. Cell Rep, 37, 2021
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8A4T
| crystal structures of diastereomer (S,S,S)-13b (13b-K) in complex with the SARS-CoV-2 Mpro | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | Authors: | Ibrahim, M, Hilgenfeld, R, Zhang, L. | Deposit date: | 2022-06-13 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease. J.Med.Chem., 65, 2022
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8A4Q
| crystal structures of diastereomer (R,S,S)-13b (13b-H) in complex with the SARS-CoV-2 Mpro. | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Ibrahim, M, Hilgenfeld, R, Zhang, L. | Deposit date: | 2022-06-13 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease. J.Med.Chem., 65, 2022
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6FV1
| Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)-2-cinnamamido-4-methylpentanamide (cinnamoyl-leucine-GlnLactam-CO-CO-NH-benzyl) | Descriptor: | (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | Authors: | Zhang, L, Hilgenfeld, R. | Deposit date: | 2018-02-28 | Release date: | 2019-03-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment. J.Med.Chem., 2020
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6FV2
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7SKZ
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7U0A
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7U09
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7U0E
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8QPR
| SARS-CoV-2 S protein bound to human neutralising antibody UZGENT_G5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IgG heavy chain - FAB, ... | Authors: | Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S. | Deposit date: | 2023-10-03 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted. Ebiomedicine, 100, 2024
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8QQ0
| SARS-CoV-2 S protein bound to neutralising antibody UZGENT_A3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S. | Deposit date: | 2023-10-03 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted. Ebiomedicine, 100, 2024
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3CDU
| Crystal structure of coxsackievirus B3 RNA-dependent RNA polymerase (3Dpol) in complex with a pyrophosphate | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Gruez, A, Selisko, B, Roberts, M, Bricogne, G, Bussetta, C, Canard, B. | Deposit date: | 2008-02-27 | Release date: | 2008-07-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of coxsackievirus B3 RNA-dependent RNA polymerase in complex with its protein primer VPg confirms the existence of a second VPg binding site on Picornaviridae polymerases J.Virol., 82, 2008
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