7D4G
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7DPV
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![BU of 7dpv by Molmil](/molmil-images/mine/7dpv) | SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-dihydromyricetin | Descriptor: | (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one, 3C-like proteinase | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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7DPU
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![BU of 7dpu by Molmil](/molmil-images/mine/7dpu) | SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin | Descriptor: | 3C-like proteinase, 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, GLYCEROL | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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7DPP
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![BU of 7dpp by Molmil](/molmil-images/mine/7dpp) | SARS-CoV-2 3CL protease (3CLpro) in complex with myricetin | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, 3C-like proteinase | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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7DDP
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![BU of 7ddp by Molmil](/molmil-images/mine/7ddp) | Cryo-EM structure of human ACE2 and GX/P2V/2017 RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | Authors: | Niu, S, Wang, J, Wang, H.W, Qi, J.X, Wang, Q.H, Gao, G.F. | Deposit date: | 2020-10-29 | Release date: | 2021-05-19 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Molecular basis of cross-species ACE2 interactions with SARS-CoV-2-like viruses of pangolin origin. Embo J., 40, 2021
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7DDO
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![BU of 7ddo by Molmil](/molmil-images/mine/7ddo) | Cryo-EM structure of human ACE2 and GD/1/2019 RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | Authors: | Niu, S, Wang, J, Wang, H.W, Qi, J.X, Wang, Q.H, Gao, G.F. | Deposit date: | 2020-10-29 | Release date: | 2021-05-19 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Molecular basis of cross-species ACE2 interactions with SARS-CoV-2-like viruses of pangolin origin. Embo J., 40, 2021
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7E35
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![BU of 7e35 by Molmil](/molmil-images/mine/7e35) | Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43 | Descriptor: | N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION | Authors: | Liu, J, Wang, Y, Xu, X, Pan, L. | Deposit date: | 2021-02-08 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2. Cell Chem Biol, 28, 2021
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7F2E
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![BU of 7f2e by Molmil](/molmil-images/mine/7f2e) | SARS-CoV-2 nucleocapsid protein C-terminal domain (dodecamer) | Descriptor: | Nucleoprotein, PHOSPHATE ION | Authors: | Liu, C, Jiang, H. | Deposit date: | 2021-06-10 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structures of the SARS-CoV-2 nucleocapsid protein C-terminal domain and development of nucleocapsid-targeting nanobodies. Febs J., 289, 2022
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7JIT
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![BU of 7jit by Molmil](/molmil-images/mine/7jit) | The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder495 inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(carbamoylcarbamoyl)amino]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-07-23 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors. Nat Commun, 12, 2021
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7JIR
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![BU of 7jir by Molmil](/molmil-images/mine/7jir) | The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder457 inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, ACETATE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-07-23 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors. Nat Commun, 12, 2021
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7DMU
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7DE1
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![BU of 7de1 by Molmil](/molmil-images/mine/7de1) | |
7D6H
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7JIW
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![BU of 7jiw by Molmil](/molmil-images/mine/7jiw) | The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder530 inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-07-23 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors. Nat Commun, 12, 2021
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7JJI
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![BU of 7jji by Molmil](/molmil-images/mine/7jji) | Structure of SARS-CoV-2 3Q-2P full-length prefusion spike trimer (C3 symmetry) | 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-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside, ... | Authors: | Bangaru, S, Turner, H.L, Ozorowski, G, Antanasijevic, A, Ward, A.B. | Deposit date: | 2020-07-26 | Release date: | 2020-08-26 | Last modified: | 2020-12-23 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural analysis of full-length SARS-CoV-2 spike protein from an advanced vaccine candidate. Science, 370, 2020
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7JIV
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![BU of 7jiv by Molmil](/molmil-images/mine/7jiv) | The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder530 inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-07-23 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors. Nat Commun, 12, 2021
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7JJJ
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![BU of 7jjj by Molmil](/molmil-images/mine/7jjj) | Structure of SARS-CoV-2 3Q-2P full-length dimers of spike trimers | 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: | Bangaru, S, Turner, H.L, Ozorowski, G, Antanasijevic, A, Ward, A.B. | Deposit date: | 2020-07-26 | Release date: | 2020-08-26 | Last modified: | 2020-12-23 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structural analysis of full-length SARS-CoV-2 spike protein from an advanced vaccine candidate. Science, 370, 2020
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7FAC
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![BU of 7fac by Molmil](/molmil-images/mine/7fac) | Crystal Structure of C-terminus of the non-structural protein 2 from SARS coronavirus | Descriptor: | Non-structural protein 2, ZINC ION | Authors: | Li, Y.Y, Ren, Z.L, Bao, Z.H, Ming, Z.H, Yan, L.M, Lou, Z.Y, Rao, Z.H. | Deposit date: | 2021-07-06 | Release date: | 2022-08-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | The Life of SARS-CoV-2 Inside Cells: Replication-Transcription Complex Assembly and Function. Annu.Rev.Biochem., 91, 2022
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7FA1
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![BU of 7fa1 by Molmil](/molmil-images/mine/7fa1) | Crystal Structure of N-terminus of the non-structural protein 2 from SARS coronavirus | Descriptor: | Non-structural protein 2, ZINC ION | Authors: | Li, Y.Y, Ren, Z.L, Bao, Z.H, Ming, Z.H, Yan, L.M, Lou, Z.Y, Rao, Z.H. | Deposit date: | 2021-07-05 | Release date: | 2022-08-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Life of SARS-CoV-2 Inside Cells: Replication-Transcription Complex Assembly and Function. Annu.Rev.Biochem., 91, 2022
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8BGA
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![BU of 8bga by Molmil](/molmil-images/mine/8bga) | Structure of Mpro in complex with FGA146 | Descriptor: | 3C-like proteinase nsp5, 4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide | Authors: | Medrano, F.J, Romero, A. | Deposit date: | 2022-10-27 | Release date: | 2023-11-08 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.982 Å) | Cite: | Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2. Commun Chem, 7, 2024
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7URB
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![BU of 7urb by Molmil](/molmil-images/mine/7urb) | Sars-Cov2 Main Protease in complex with CDD-1733 | Descriptor: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide, 3C-like proteinase | Authors: | Lu, S, Palzkill, T, Matzuk, M.M, Judge, A. | Deposit date: | 2022-04-21 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors. Commun Chem, 6, 2023
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7UR9
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![BU of 7ur9 by Molmil](/molmil-images/mine/7ur9) | SARS-Cov2 Main protease in complex with inhibitor CDD-1845 | Descriptor: | (2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase nsp5 | Authors: | Lu, S, Palzkill, T. | Deposit date: | 2022-04-21 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors. Commun Chem, 6, 2023
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7US4
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![BU of 7us4 by Molmil](/molmil-images/mine/7us4) | Sars-Cov2 Main Protease in complex with CDD-1819 | Descriptor: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase | Authors: | Lu, S, Palzkill, T, Matzuk, M.M, Judge, A. | Deposit date: | 2022-04-22 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors. Commun Chem, 6, 2023
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7UUG
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![BU of 7uug by Molmil](/molmil-images/mine/7uug) | SARS-CoV-2 Main Protease S144A (Mpro S144A) in Complex with ML1006a | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-04-28 | Release date: | 2023-10-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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7UUP
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![BU of 7uup by Molmil](/molmil-images/mine/7uup) | SARS-CoV-2 Main Protease S144A (Mpro S144A) in Complex with Nirmatrelvir (PF-07321332) | Descriptor: | (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, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-04-28 | Release date: | 2023-10-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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