1UJ1
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![BU of 1uj1 by Molmil](/molmil-images/mine/1uj1) | Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) | Descriptor: | 3C-like proteinase | Authors: | Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z. | Deposit date: | 2003-07-25 | Release date: | 2003-11-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor Proc.Natl.Acad.Sci.USA, 100, 2003
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2ALV
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![BU of 2alv by Molmil](/molmil-images/mine/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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7LCP
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![BU of 7lcp by Molmil](/molmil-images/mine/7lcp) | N-terminal finger stabilizes feline drug GC376 in coronavirus 3CL protease | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, CALCIUM ION, ... | Authors: | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-01-11 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | N-Terminal Finger Stabilizes the S1 Pocket for the Reversible Feline Drug GC376 in the SARS-CoV-2 M pro Dimer. J.Mol.Biol., 433, 2021
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2QIQ
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2ZU4
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![BU of 2zu4 by Molmil](/molmil-images/mine/2zu4) | Complex structure of SARS-CoV 3CL protease with TG-0204998 | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}pentyl]-L-leucinamide | Authors: | Hsu, M.F, Lee, C.C, Wang, A.H.-J. | Deposit date: | 2008-10-12 | Release date: | 2009-01-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural Basis of Inhibition Specificities of 3C and 3C-like Proteases by Zinc-coordinating and Peptidomimetic Compounds J.Biol.Chem., 284, 2009
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7WQI
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![BU of 7wqi by Molmil](/molmil-images/mine/7wqi) | Crystal structure of SARS coronavirus main protease in complex with PF07304814 | Descriptor: | 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J. | Deposit date: | 2022-01-25 | Release date: | 2023-01-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of SARS coronavirus main protease in complex with PF07304814 To Be Published
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2GX4
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![BU of 2gx4 by Molmil](/molmil-images/mine/2gx4) | Crystal structure of SARS coronavirus 3CL protease inhibitor complex | Descriptor: | 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE | Authors: | Hsu, M.F, Wang, A.H.-J. | Deposit date: | 2006-05-08 | Release date: | 2007-05-08 | Last modified: | 2020-04-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Synthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor. J.Med.Chem., 49, 2006
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6LO0
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3VB7
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![BU of 3vb7 by Molmil](/molmil-images/mine/3vb7) | Crystal structure of SARS-CoV 3C-like protease with M4Z | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, GLYCEROL, ... | Authors: | Chuck, C.P, Wong, K.B. | Deposit date: | 2011-12-31 | Release date: | 2012-12-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases Eur.J.Med.Chem., 59C, 2012
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3VB5
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![BU of 3vb5 by Molmil](/molmil-images/mine/3vb5) | Crystal structure of SARS-CoV 3C-like protease with C4Z | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, C4Z inhibitor | Authors: | Chuck, C.P, Wong, K.B. | Deposit date: | 2011-12-31 | Release date: | 2012-12-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases Eur.J.Med.Chem., 59C, 2012
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2Z9J
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![BU of 2z9j by Molmil](/molmil-images/mine/2z9j) | Complex structure of SARS-CoV 3C-like protease with EPDTC | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, zinc(II)hydrogensulfide | Authors: | Lee, C.C, Wang, A.H. | Deposit date: | 2007-09-20 | Release date: | 2007-12-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors. Febs Lett., 581, 2007
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2HOB
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![BU of 2hob by Molmil](/molmil-images/mine/2hob) | Crystal structure of SARS-CoV main protease with authentic N and C-termini in complex with a Michael acceptor N3 | Descriptor: | 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, Replicase polyprotein 1ab | Authors: | Xue, X, Yang, H, Shen, W, Zhao, Q, Li, J, Rao, Z. | Deposit date: | 2006-07-14 | Release date: | 2007-04-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 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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3V3M
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![BU of 3v3m by Molmil](/molmil-images/mine/3v3m) | Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease in Complex with N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide inhibitor. | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide | Authors: | Jacobs, J, Grum-Tokars, V, Zhou, Y, Turlington, M, Saldanha, S.A, Chase, P, Eggler, A, Dawson, E.S, Baez-Santos, Y.M, Tomar, S, Mielech, A.M, Baker, S.C, Lindsley, C.W, Hodder, P, Mesecar, A, Stauffer, S.R. | Deposit date: | 2011-12-13 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery, Synthesis, And Structure-Based Optimization of a Series of N-(tert-Butyl)-2-(N-arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease. J.Med.Chem., 56, 2013
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8HUS
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![BU of 8hus by Molmil](/molmil-images/mine/8hus) | Crystal structure of SARS main protease in complex with S217622 | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Lin, C, Zhang, J, Li, J. | Deposit date: | 2022-12-24 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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2GZ8
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2V6N
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![BU of 2v6n by Molmil](/molmil-images/mine/2v6n) | Crystal structures of the SARS-coronavirus main proteinase inactivated by benzotriazole compounds | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(DIMETHYLAMINO)BENZOIC ACID, REPLICASE POLYPROTEIN 1AB, ... | Authors: | Verschueren, K.H.G, Pumpor, K, Anemueller, S, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2007-07-19 | Release date: | 2008-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A Structural View of the Inactivation of the Sars Coronavirus Main Proteinase by Benzotriazole Esters. Chem.Biol., 15, 2008
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3SN8
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7END
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3TIT
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7DQZ
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![BU of 7dqz by Molmil](/molmil-images/mine/7dqz) | Crystal structure of SARS 3C-like protease in apo form | Descriptor: | 3C-like proteinase | Authors: | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | Deposit date: | 2020-12-24 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus. J.Virol., 96, 2022
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3TNS
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![BU of 3tns by Molmil](/molmil-images/mine/3tns) | Crystal structure of SARS coronavirus main protease complexed with an alpha, beta-unsaturated ethyl ester inhibitor SG83 | Descriptor: | ETHYL (5S,8S,11R)-8-BENZYL-5-(2-TERT-BUTOXY-2-OXOETHYL)-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: | 2011-09-01 | Release date: | 2012-09-05 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal structures of SARS-Cov main protease complexed with a series of peptidic unsaturated esters To be Published
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1WOF
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![BU of 1wof by Molmil](/molmil-images/mine/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: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
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2XYQ
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![BU of 2xyq by Molmil](/molmil-images/mine/2xyq) | Crystal structure of the nsp16 nsp10 SARS coronavirus complex | Descriptor: | CHLORIDE ION, MAGNESIUM ION, NON-STRUCTURAL PROTEIN 10, ... | Authors: | Decroly, E, Debarnot, C, Ferron, F, Bouvet, M, Coutard, B, Imbert, I, Gluais, L, Papageorgiou, N, Ortiz-Lombardia, M, Lescar, J, Canard, B. | Deposit date: | 2010-11-18 | Release date: | 2011-10-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure and Functional Analysis of the Sars-Coronavirus RNA CAP 2'-O-Methyltransferase Nsp10/Nsp16 Complex. Plos Pathog., 7, 2011
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2BX3
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3AW1
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![BU of 3aw1 by Molmil](/molmil-images/mine/3aw1) | Structure of SARS 3CL protease auto-proteolysis resistant mutant in the absent of inhibitor | Descriptor: | 3C-Like Proteinase | Authors: | Akaji, K, Konno, H, Mitsui, H, Teruya, K, Hattori, Y, Ozaki, T, Kusunoki, M, Sanjho, A. | Deposit date: | 2011-03-09 | Release date: | 2011-12-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design, Synthesis, and Evaluation of Peptide-Mimetic SARS 3CL Protease Inhibitors. J.Med.Chem., 54, 2011
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