3FAO
 
 | | Crystal structure of S118A mutant 3CLSP of PRRSV | | Descriptor: | Non-structural protein, PHOSPHATE ION | | Authors: | Gao, F, Peng, H, Tian, X, Lu, G, Liu, Y, Gao, G.F. | | Deposit date: | 2008-11-17 | | Release date: | 2009-10-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure and cleavage specificity of the chymotrypsin-like serine protease (3CLSP/nsp4) of Porcine Reproductive and Respiratory Syndrome Virus (PRRSV).
J.Mol.Biol., 392, 2009
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3EW5
 | | Structure of the tetragonal crystal form of X (ADRP) domain from FCoV | | Descriptor: | CHLORIDE ION, SN-GLYCEROL-1-PHOSPHATE, SULFATE ION, ... | | Authors: | Wojdyla, J.A, Manolaridis, I, Tucker, P.A. | | Deposit date: | 2008-10-14 | | Release date: | 2009-10-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the X (ADRP) domain of nsp3 from feline coronavirus
Acta Crystallogr.,Sect.D, 65, 2009
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7AQE
 | | Structure of SARS-CoV-2 Main Protease bound to UNC-2327 | | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Guenther, S, Reinke, P, Meents, A. | | Deposit date: | 2020-10-21 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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1WOF
 | | Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1 | | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | Authors: | Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z. | | Deposit date: | 2004-08-18 | | Release date: | 2005-08-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
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2AMD
 | | Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9 | | Descriptor: | 3C-like proteinase, N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE | | Authors: | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | | Deposit date: | 2005-08-09 | | Release date: | 2005-09-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
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2AMQ
 | | Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N3 | | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | Authors: | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | | Deposit date: | 2005-08-10 | | Release date: | 2005-09-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
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2AMP
 | | Crystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an Inhibitor N1 | | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | Authors: | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | | Deposit date: | 2005-08-10 | | Release date: | 2005-09-13 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
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7HUD
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment B08 from the F2X-Entry Screen in monoclinic space group | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-01-07 | | Release date: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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7HUC
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7HUE
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment D08 from the F2X-Entry Screen in monoclinic space group | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N,N',N'-trimethylurea | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-01-07 | | Release date: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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7I1D
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment F04 from the F2X-Entry Screen in orthorhombic space group | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-02-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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7I14
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment B08 from the F2X-Entry Screen in orthorhombic space group | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-02-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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7I1H
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment G10 from the F2X-Entry Screen in orthorhombic space group | | Descriptor: | 1-phenyl-1H-tetrazole, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-02-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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7I1J
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment H11 from the F2X-Entry Screen in orthorhombic space group | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-02-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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7I16
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment C07 from the F2X-Entry Screen in orthorhombic space group | | Descriptor: | 3,4-dihydro-1~{H}-quinolin-2-one, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-02-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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7I18
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment D04 from the F2X-Entry Screen in orthorhombic space group | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-02-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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7I1A
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment D11 from the F2X-Entry Screen in orthorhombic space group | | Descriptor: | 3-(1,3-thiazol-2-yl)propanoic acid, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-02-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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7I19
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment D08 from the F2X-Entry Screen in orthorhombic space group | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-02-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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7I1G
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment G09 from the F2X-Entry Screen in orthorhombic space group | | Descriptor: | (2R)-2-(acetylamino)-4-phenylbutanoic acid, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-02-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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7I17
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment C10 from the F2X-Entry Screen in orthorhombic space group | | Descriptor: | 1,3-benzodioxole-5-carbothioamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-02-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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7I15
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment C02 from the F2X-Entry Screen in orthorhombic space group | | Descriptor: | 2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-02-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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7I13
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment B05 from the F2X-Entry Screen in orthorhombic space group | | Descriptor: | 2-acetylbenzoic acid, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-02-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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7I1C
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment E11 from the F2X-Entry Screen in orthorhombic space group | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-02-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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7I1F
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment G04 from the F2X-Entry Screen in orthorhombic space group | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-02-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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7I1I
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment H03 from the F2X-Entry Screen in orthorhombic space group | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-02-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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