3TIU
 
 | | Crystal structure of SARS coronavirus main protease complexed with an alpha,beta-unsaturated ethyl ester inhibitor SG82 | | Descriptor: | DIMETHYL SULFOXIDE, ETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOPROPYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE, SARS coronavirus main protease | | Authors: | Zhu, L, Hilgenfeld, R. | | Deposit date: | 2011-08-22 | | Release date: | 2012-08-22 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystal structures of SARS-Cov main protease complexed with a series of peptidic unsaturated esters
To be Published
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3TIT
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3TNT
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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: | 2023-11-15 | | 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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2ALV
 | | X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors | | Descriptor: | N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE, Replicase polyprotein 1ab | | Authors: | Ghosh, A.K, Xi, K, Ratia, K, Santarsiero, B.D, Fu, W, Harcourt, B.H, Rota, P.A, Baker, S.C, Johnson, M.E, Mesecar, A.D. | | Deposit date: | 2005-08-08 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors.
J.Med.Chem., 48, 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: | 2011-07-13 | | 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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3D23
 | | Main protease of HCoV-HKU1 | | 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: | Zhao, Q, Chen, C, Li, S, Zou, Y. | | Deposit date: | 2008-05-07 | | Release date: | 2008-09-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the main protease from a global infectious human coronavirus, HCoV-HKU1.
J.Virol., 82, 2008
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3D62
 | | Development of Broad-Spectrum Halomethyl Ketone Inhibitors Against Coronavirus Main Protease 3CLpro | | Descriptor: | 3C-like proteinase, benzyl (2-oxopropyl)carbamate | | Authors: | Bacha, U, Barrila, J, Gabelli, S.B, Kiso, Y, Amzel, L.M, Freire, E. | | Deposit date: | 2008-05-18 | | Release date: | 2008-07-01 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Development of broad-spectrum halomethyl ketone inhibitors against coronavirus main protease 3CL(pro).
Chem.Biol.Drug Des., 72, 2008
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2C3S
 | | Structure Of Sars Cov Main Proteinase At 1.9 A (Ph6.5) | | Descriptor: | SARS COV 3C-LIKE PROTEINASE | | Authors: | Xu, T, Ooi, A, Lee, H.-C, Lescar, J. | | Deposit date: | 2005-10-12 | | Release date: | 2005-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the Sars Coronavirus Main Proteinase as an Active C2 Crystallographic Dimer.
Acta Crystallogr.,Sect.F, 61, 2005
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2BX3
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2BX4
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3EAJ
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2D2D
 | | Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor I2 | | Descriptor: | 3C-like proteinase, ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE | | Authors: | Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Ding, Y, Rao, Z. | | Deposit date: | 2005-09-08 | | Release date: | 2005-09-20 | | Last modified: | 2011-07-13 | | 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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3E91
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3EA9
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3EBN
 | | A Special Dimerization of SARS-CoV Main Protease C-Terminal Domain Due to Domain-swapping | | Descriptor: | Replicase polyprotein 1ab | | Authors: | Zhong, N, Zhang, S, Xue, F, Kang, X, Lou, Z, Xia, B. | | Deposit date: | 2008-08-28 | | Release date: | 2009-05-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | C-terminal domain of SARS-CoV main protease can form a 3D domain-swapped dimer
PROTEIN SCI., 18, 2009
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3EA7
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3EA8
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3F9G
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2DUC
 | | Crystal structure of SARS coronavirus main proteinase(3CLPRO) | | Descriptor: | Replicase polyprotein 1ab | | Authors: | Wang, H, Kim, Y.T, Muramatsu, T, Takemoto, C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-07-21 | | Release date: | 2007-07-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | SARS-CoV 3CL protease cleaves its C-terminal autoprocessing site by novel subsite cooperativity
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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3F9F
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3F9H
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3F9E
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3FZD
 | | Mutation of Asn28 disrupts the enzymatic activity and dimerization of SARS 3CLpro | | Descriptor: | 3C-like proteinase | | Authors: | Barrila, J, Gabelli, S, Bacha, U, Amzel, L.M, Freire, E. | | Deposit date: | 2009-01-25 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Mutation of Asn28 disrupts the dimerization and enzymatic activity of SARS 3CL(pro) .
Biochemistry, 49, 2010
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2H2Z
 | | Crystal structure of SARS-CoV main protease with authentic N and C-termini | | Descriptor: | Replicase polyprotein 1ab | | Authors: | Yang, H, Xue, X, Shen, W, Zhao, Q, Rao, Z. | | Deposit date: | 2006-05-20 | | Release date: | 2007-04-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Production of authentic SARS-CoV M(pro) with enhanced activity: application as a novel tag-cleavage endopeptidase for protein overproduction
J.Mol.Biol., 366, 2007
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