8UE0
 
 | | Crystal structure of SARS-CoV-2 3CL protease with inhibitor 47 | | Descriptor: | 2,4-dichloro-Nalpha-[(2R)-2-chloro-3-(2-cyanophenyl)propanoyl]-N-[(2S)-4-{[4-(dimethylamino)butyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | Forouhar, F, Liu, H, Zack, A, Iketani, S, Williams, A, Vaz, D.R, Habashi, D.L, Choi, K, Resnick, S.J, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2023-09-29 | | Release date: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Development of small molecule non-covalent coronavirus 3CL protease inhibitors from DNA-encoded chemical library screening.
Nat Commun, 16, 2025
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8YDP
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8YDQ
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8YDR
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8YDS
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8YDT
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8YDU
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8YDV
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8YDW
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8YDX
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8YDY
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8YDZ
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9CEC
 | | SARS-CoV-2 3CL Protease complexed with covalent inhibitor BC671 | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2S)-1-{[(2S)-1-hydroxy-3-(2-oxo-1,2-dihydropyridin-3-yl)propan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | | Authors: | Farzandh, S, Hoffpauir, Z.A, Meneely, K.M, Lamb, A.L. | | Deposit date: | 2024-06-26 | | Release date: | 2025-01-15 | | Last modified: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Dual Inhibitors of SARS-CoV-2 3CL Protease and Human Cathepsin L Containing Glutamine Isosteres Are Anti-CoV-2 Agents.
J.Am.Chem.Soc., 147, 2025
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9CED
 | | SARS-CoV-2 3CL Protease complexed with covalent inhibitor VK13 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-{[(2S)-1-hydroxy-3-(2-oxo-1,2-dihydropyridin-3-yl)propan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Hoffpauir, Z.A, Meneely, K.M, Lamb, A.L. | | Deposit date: | 2024-06-26 | | Release date: | 2025-01-15 | | Last modified: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Dual Inhibitors of SARS-CoV-2 3CL Protease and Human Cathepsin L Containing Glutamine Isosteres Are Anti-CoV-2 Agents.
J.Am.Chem.Soc., 147, 2025
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9CEK
 | | SARS-CoV-2 3CL Protease complexed with covalent inhibitor VK20 | | Descriptor: | 3C-like proteinase nsp5, L(+)-TARTARIC ACID, N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ... | | Authors: | Hoffpauir, Z.A, Meneely, K.M, Lamb, A.L. | | Deposit date: | 2024-06-26 | | Release date: | 2025-01-15 | | Last modified: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Dual Inhibitors of SARS-CoV-2 3CL Protease and Human Cathepsin L Containing Glutamine Isosteres Are Anti-CoV-2 Agents.
J.Am.Chem.Soc., 147, 2025
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9CF9
 | | SARS-CoV-2 3CL Protease complexed with covalent inhibitor BC787 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-{[(2S)-1-hydroxy-3-(pyridin-3-yl)propan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Hoffpauir, Z.A, Meneely, K.M, Lamb, A.L. | | Deposit date: | 2024-06-27 | | Release date: | 2025-01-15 | | Last modified: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dual Inhibitors of SARS-CoV-2 3CL Protease and Human Cathepsin L Containing Glutamine Isosteres Are Anti-CoV-2 Agents.
J.Am.Chem.Soc., 147, 2025
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9CFB
 | | SARS-CoV-2 3CL Protease complexed with covalent inhibitor BC674 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-cyclohexyl-1-{[(2S)-1-hydroxy-3-(2-oxo-1,2-dihydropyridin-3-yl)propan-2-yl]amino}-1-oxopropan-2-yl]-1H-indole-2-carboxamide, SODIUM ION | | Authors: | Hoffpauir, Z.A, Meneely, K.M, Lamb, A.L. | | Deposit date: | 2024-06-27 | | Release date: | 2025-01-15 | | Last modified: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Dual Inhibitors of SARS-CoV-2 3CL Protease and Human Cathepsin L Containing Glutamine Isosteres Are Anti-CoV-2 Agents.
J.Am.Chem.Soc., 147, 2025
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9IUP
 | | KP.3 RBD in complex with ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1 | | Authors: | Feng, L.L. | | Deposit date: | 2024-07-22 | | Release date: | 2025-01-15 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural and molecular basis of the epistasis effect in enhanced affinity between SARS-CoV-2 KP.3 and ACE2.
Cell Discov, 10, 2024
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9IUQ
 | | KP.2 RBD in complex with ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1 | | Authors: | Feng, L.L. | | Deposit date: | 2024-07-22 | | Release date: | 2025-01-15 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural and molecular basis of the epistasis effect in enhanced affinity between SARS-CoV-2 KP.3 and ACE2.
Cell Discov, 10, 2024
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9IUU
 | | JN.1 RBD with Q493E in complex with ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | | Authors: | Feng, L.L. | | Deposit date: | 2024-07-22 | | Release date: | 2025-01-15 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Structural and molecular basis of the epistasis effect in enhanced affinity between SARS-CoV-2 KP.3 and ACE2.
Cell Discov, 10, 2024
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9JJ7
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8XAL
 | | Cryo-EM structure of SARS-CoV-2 S-BQ.1 in complex with ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Green fluorescent protein (Fragment), ... | | Authors: | Hsu, H.F, Wu, M.H, Chang, Y.C, Hsu, S.T.D. | | Deposit date: | 2023-12-04 | | Release date: | 2025-01-22 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Functional and structural investigation of a broadly neutralizing SARS-CoV-2 antibody.
JCI Insight, 9, 2024
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8XWR
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8XWT
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8XY9
 | | Crystal structure of SARS-CoV-2 BF.7 RBD and human ACE2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Lan, J, Wang, C.H. | | Deposit date: | 2024-01-19 | | Release date: | 2025-01-22 | | Last modified: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (3.64 Å) | | Cite: | Receptor binding mechanism and immune evasion capacity of SARS-CoV-2 BQ.1.1 lineage.
Virology, 600, 2024
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