3ZZ8
 
 | | Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 82 | | Descriptor: | 3C PROTEINASE, 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 | | Authors: | Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2011-08-31 | | Release date: | 2012-09-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
To be Published
|
|
3ZZ7
 | | Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 81 | | Descriptor: | 3C PROTEINASE, ETHYL (4R)-4-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL]AMINO}-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | | Authors: | Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2011-08-31 | | Release date: | 2012-09-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
To be Published
|
|
3ZZ6
 | | Crystal structure of 3C protease of coxsackievirus B3 complexed with Michael receptor inhibitor 75 | | Descriptor: | ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE, POLYPROTEIN 3BCD | | Authors: | Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2011-08-31 | | Release date: | 2012-09-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Peptidic Ab-Nonsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
To be Published
|
|
3ZZD
 | | Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 85 | | Descriptor: | 3C PROTEINASE, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | | Authors: | Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2011-08-31 | | Release date: | 2012-09-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
To be Published
|
|
7ZB7
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant Y54F at 1.63 A resolution | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL | | Authors: | Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A. | | Deposit date: | 2022-03-23 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024
|
|
7ZB6
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant C44S at 2.12 A resolution | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A. | | Deposit date: | 2022-03-23 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024
|
|
7ZB8
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant K61A at 2.48 A resolution | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A. | | Deposit date: | 2022-03-23 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024
|
|
5IYT
 | | Complex structure of EV-B93 main protease 3C with N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-2Z-butenamide | | Descriptor: | EV-B93 main protease 3C, N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide | | Authors: | Kaczmarska, Z, Becker, D, Rademann, J, Coll, M. | | Deposit date: | 2016-03-24 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Irreversible inhibitors of the 3C protease of Coxsackie virus through templated assembly of protein-binding fragments.
Nat Commun, 7, 2016
|
|
7DNC
 | | Crystal structure of EV71 3C proteinase in complex with a novel inhibitor | | Descriptor: | 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Xie, H, Su, H.X, Li, M.J, Xu, Y.C. | | Deposit date: | 2020-12-09 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2.
J.Med.Chem., 65, 2022
|
|
5YXA
 | | Crystal structure of the C-terminal fragment of NS1 protein from yellow fever virus | | Descriptor: | Non-structural protein 1 | | Authors: | Wang, H, Song, H, Qi, J, Shi, Y, Gao, G.F. | | Deposit date: | 2017-12-04 | | Release date: | 2018-01-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the C-terminal fragment of NS1 protein from yellow fever virus.
Sci China Life Sci, 60, 2017
|
|
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
|
|
4EMP
 | | Crystal structure of the mutant of ClpP E137A from Staphylococcus aureus | | Descriptor: | ATP-dependent Clp protease proteolytic subunit | | Authors: | Ye, F, Zhang, J, Liu, H, Luo, C, Yang, C.-G. | | Deposit date: | 2012-04-12 | | Release date: | 2013-04-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease
J.Biol.Chem., 288, 2013
|
|
4EMM
 | |
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: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
|
|
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
|
|
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
|
|
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
|
|
3JZT
 | | Structure of a cubic crystal form of X (ADRP) domain from FCoV with ADP-ribose | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, SODIUM ION, ... | | Authors: | Wojdyla, J.A, Manolaridis, I, Tucker, P.A. | | Deposit date: | 2009-09-24 | | Release date: | 2010-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.91 Å) | | Cite: | Structure of the X (ADRP) domain of nsp3 from feline coronavirus
Acta Crystallogr.,Sect.D, 65, 2009
|
|
3FAN
 | | Crystal structure of chymotrypsin-like protease/proteinase (3CLSP/Nsp4) of porcine reproductive and respiratory syndrome virus (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: | 2009-09-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 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
|
|
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
|
|
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
|
|
3ETI
 | |
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
|
|
1L9M
 | |
1L9N
 | |
