7EIB
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7M7W
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![BU of 7m7w by Molmil](/molmil-images/mine/7m7w) | Antibodies to the SARS-CoV-2 receptor-binding domain that maximize breadth and resistance to viral escape | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal antibody S2H97 Fab heavy chain, Monoclonal antibody S2H97 Fab light chain, ... | Authors: | Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M. | Deposit date: | 2021-03-29 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape. Nature, 597, 2021
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7M7B
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![BU of 7m7b by Molmil](/molmil-images/mine/7m7b) | SARS-CoV-2 Spike:Fab 3D11 complex focused refinement | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab 3D11 heavy chain, Antibody Fab 3D11 light chain, ... | Authors: | Asarnow, D, Cheng, Y. | Deposit date: | 2021-03-27 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia. Cell, 184, 2021
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7M71
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![BU of 7m71 by Molmil](/molmil-images/mine/7m71) | SARS-CoV-2 Spike:5A6 Fab complex I focused refinement | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 5A6 Fab heavy chain, Antibody 5A6 Fab light chain, ... | Authors: | Asarnow, D, Cheng, Y. | Deposit date: | 2021-03-26 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia. Cell, 184, 2021
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7M6F
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7M6G
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7M6I
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7M6E
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7M6H
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7M6D
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7EFR
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![BU of 7efr by Molmil](/molmil-images/mine/7efr) | Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (T27W,N330Y) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Lu, G.W, Ye, F, Lin, X. | Deposit date: | 2021-03-23 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis. Signal Transduct Target Ther, 6, 2021
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7M4R
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7EFP
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![BU of 7efp by Molmil](/molmil-images/mine/7efp) | Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (S19W,N330Y) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Lu, G.W, Ye, F, Lin, X. | Deposit date: | 2021-03-22 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis. Signal Transduct Target Ther, 6, 2021
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7M42
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![BU of 7m42 by Molmil](/molmil-images/mine/7m42) | Complex of SARS-CoV-2 receptor binding domain with the Fab fragments of neutralizing antibodies REGN10985 and REGN10989 | Descriptor: | REGN10985 antibody Fab fragment heavy chain, REGN10985 antibody Fab fragment light chain, REGN10989 antibody Fab fragment heavy chain, ... | Authors: | Zhou, Y, Romero Hernandez, A, Saotome, K, Franklin, M.C. | Deposit date: | 2021-03-19 | Release date: | 2021-07-28 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The monoclonal antibody combination REGEN-COV protects against SARS-CoV-2 mutational escape in preclinical and human studies. Cell, 184, 2021
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7M3I
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7M2P
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7ED5
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![BU of 7ed5 by Molmil](/molmil-images/mine/7ed5) | A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase | Descriptor: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | Authors: | Shannon, A, Fattorini, V, Sama, B, Selisko, B, Feracci, M, Falcou, C, Gauffre, P, El Kazzi, P, Delpal, A, Decroly, E, Alvarez, K, Eydoux, C, Guillemot, J.-C, Moussa, A, Good, S, Colla, P, Lin, K, Sommadossi, J.-P, Zhu, Y.X, Yan, X.D, Shi, H, Ferron, F, Canard, B. | Deposit date: | 2021-03-15 | Release date: | 2022-02-16 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase. Nat Commun, 13, 2022
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7M1Y
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![BU of 7m1y by Molmil](/molmil-images/mine/7m1y) | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with ebselen | Descriptor: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Maltseva, N, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-03-15 | Release date: | 2021-03-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with ebselen to be published
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7NUK
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![BU of 7nuk by Molmil](/molmil-images/mine/7nuk) | Crystal structure of SARS CoV2 main protease in complex with EG009 (modelled using PanDDA event map) | Descriptor: | 2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | Deposit date: | 2021-03-12 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NTK
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![BU of 7ntk by Molmil](/molmil-images/mine/7ntk) | PALS1 PDZ1 domain with SARS-CoV-2_E PBM complex | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, Envelope small membrane protein, ... | Authors: | Javorsky, A, Kvansakul, M. | Deposit date: | 2021-03-10 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of coronavirus E protein interactions with human PALS1 PDZ domain. Commun Biol, 4, 2021
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7NTV
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![BU of 7ntv by Molmil](/molmil-images/mine/7ntv) | Crystal structure of SARS CoV2 main protease in complex with DN_EG_002 (modelled using PanDDA event map) | Descriptor: | 2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | Deposit date: | 2021-03-10 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.065 Å) | Cite: | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NTJ
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![BU of 7ntj by Molmil](/molmil-images/mine/7ntj) | PALS1 PDZ1 domain with SARS-CoV-1_E PBM complex | Descriptor: | Envelope small membrane protein, MAGUK p55 subfamily member 5 | Authors: | Javorsky, A, Kvansakul, M. | Deposit date: | 2021-03-10 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural basis of coronavirus E protein interactions with human PALS1 PDZ domain. Commun Biol, 4, 2021
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7NTS
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![BU of 7nts by Molmil](/molmil-images/mine/7nts) | Crystal structure of the SARS-CoV-2 Main Protease with oxidized C145 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, GLYCEROL, ... | Authors: | Dupre, E, Villeret, V, Hanoulle, X. | Deposit date: | 2021-03-10 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.477 Å) | Cite: | NMR Spectroscopy of the Main Protease of SARS-CoV-2 and Fragment-Based Screening Identify Three Protein Hotspots and an Antiviral Fragment. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NTQ
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![BU of 7ntq by Molmil](/molmil-images/mine/7ntq) | Crystal structure of the SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Dupre, E, Villeret, V, Hanoulle, X. | Deposit date: | 2021-03-10 | Release date: | 2022-03-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.495 Å) | Cite: | Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses. Eur.J.Med.Chem., 250, 2023
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7M02
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![BU of 7m02 by Molmil](/molmil-images/mine/7m02) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 17c | Descriptor: | (1R,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O. | Deposit date: | 2021-03-10 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies. J.Med.Chem., 64, 2021
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