3UR6 | | 1.5A RESOLUTION STRUCTURE OF APO NORWALK VIRUS PROTEASE | | Descriptor: | 3C-like protease | | Authors: | Lovell, S., Battaile, K.P., Kim, Y., Tiew, K.C., Mandadapu, S.R., Alliston, K.R., Groutas, W.C., Chang, K.O. | | Deposit date: | 2011-11-21 | | Release date: | 2012-09-05 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
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3UR9 | | 1.65A RESOLUTION STRUCTURE OF NORWALK VIRUS PROTEASE CONTAINING A COVALENTLY BOUND DIPEPTIDYL INHIBITOR | | Descriptor: | 3C-like protease, CHLORIDE ION, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Authors: | Lovell, S., Battaile, K.P., Kim, Y., Tiew, K.C., Mandadapu, S.R., Alliston, K.R., Groutas, W.C., Chang, K.O. | | Deposit date: | 2011-11-21 | | Release date: | 2012-09-05 | | Last modified: | 2020-05-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
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4DCD | | 1.6A RESOLUTION STRUCTURE OF POLIOVIRUS 3C PROTEASE CONTAINING A COVALENTLY BOUND DIPEPTIDYL INHIBITOR | | Descriptor: | Genome polyprotein, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, ... | | Authors: | Lovell, S., Battaile, K.P., Kim, Y., Tiew, K.-C., Mandadapu, S.R., Alliston, K.R., Groutas, W.C., Chang, K.O. | | Deposit date: | 2012-01-17 | | Release date: | 2012-09-05 | | Last modified: | 2020-05-20 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
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5WEJ | | 1.95 A RESOLUTION STRUCTURE OF NOROVIRUS 3CL PROTEASE IN COMPLEX WITH A DIPEPTIDYL OXAZOLIDINONE-BASED INHIBITOR | | Descriptor: | Genome polyprotein, (2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Damalanka, V.C., Kim, Y., Kankanamalage, A.C.G., Rathnayake, A.D., Nguyen, H.N., Chang, K.O., Groutas, W.C. | | Deposit date: | 2017-07-10 | | Release date: | 2017-12-13 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-guided design, synthesis and evaluation of oxazolidinone-based inhibitors of norovirus 3CL protease.
Eur J Med Chem, 143, 2017
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5WKJ | | 2.05 A RESOLUTION STRUCTURE OF MERS 3CL PROTEASE IN COMPLEX WITH INHIBITOR GC376 | | Descriptor: | Orf1a protein, CALCIUM ION, (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, ... | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Kankanamalage, A.C.G., Kim, Y., Rathnayake, A.D., Chang, K.O., Groutas, W.C. | | Deposit date: | 2017-07-25 | | Release date: | 2018-04-04 | | Last modified: | 2020-05-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Eur J Med Chem, 150, 2018
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5WKK | | 1.55 A RESOLUTION STRUCTURE OF MERS 3CL PROTEASE IN COMPLEX WITH INHIBITOR GC813 | | Descriptor: | Orf1a protein, TETRAETHYLENE GLYCOL, MAGNESIUM ION, ... | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Kankanamalage, A.C.G., Kim, Y., Rathnayake, A.D., Chang, K.O., Groutas, W.C. | | Deposit date: | 2017-07-25 | | Release date: | 2018-04-04 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Eur J Med Chem, 150, 2018
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5WKL | | 1.85 A RESOLUTION STRUCTURE OF MERS 3CL PROTEASE IN COMPLEX WITH PIPERIDINE-BASED PEPTIDOMIMETIC INHIBITOR 17 | | Descriptor: | Orf1a protein, (1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Kankanamalage, A.C.G., Kim, Y., Rathnayake, A.D., Chang, K.O., Groutas, W.C. | | Deposit date: | 2017-07-25 | | Release date: | 2018-04-04 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Eur J Med Chem, 150, 2018
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5WKM | | 2.25 A RESOLUTION STRUCTURE OF MERS 3CL PROTEASE IN COMPLEX WITH PIPERIDINE-BASED PEPTIDOMIMETIC INHIBITOR 21 | | Descriptor: | Orf1a protein, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Kankanamalage, A.C.G., Kim, Y., Rathnayake, A.D., Chang, K.O., Groutas, W.C. | | Deposit date: | 2017-07-25 | | Release date: | 2018-04-04 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Eur J Med Chem, 150, 2018
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6BIB | | 1.95 A RESOLUTION STRUCTURE OF NOROVIRUS 3CL PROTEASE IN COMPLEX WITH A TRIAZOLE-BASED MACROCYCLIC INHIBITOR | | Descriptor: | 3C-like protease, benzyl [(9S,12S,15S)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Kankanamalage, A.C.G., Weerawarna, P.M., Rathnayake, A.D., Kim, Y., Chang, K.O., Groutas, W.C. | | Deposit date: | 2017-11-01 | | Release date: | 2018-11-07 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease.
Proteins, 87, 2019
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6BIC | | 2.25 A RESOLUTION STRUCTURE OF NOROVIRUS 3CL PROTEASE IN COMPLEX WITH A TRIAZOLE-BASED MACROCYCLIC INHIBITOR | | Descriptor: | 3C-like protease, (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Kankanamalage, A.C.G., Weerawarna, P.M., Rathnayake, A.D., Kim, Y., Chang, K.O., Groutas, W.C. | | Deposit date: | 2017-11-01 | | Release date: | 2018-11-07 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease.
Proteins, 87, 2019
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6BID | | 1.15 A RESOLUTION STRUCTURE OF NOROVIRUS 3CL PROTEASE IN COMPLEX WITH A TRIAZOLE-BASED MACROCYCLIC INHIBITOR | | Descriptor: | 3C-like protease, benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Kankanamalage, A.C.G., Weerawarna, P.M., Rathnayake, A.D., Kim, Y., Chang, K.O., Groutas, W.C. | | Deposit date: | 2017-11-01 | | Release date: | 2018-11-07 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease.
Proteins, 87, 2019
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6XMK | | 1.70 A RESOLUTION STRUCTURE OF SARS-COV-2 3CL PROTEASE IN COMPLEX WITH INHIBITOR 7J | | Descriptor: | 3C-like proteinase, (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S., Kashipathy, M.M., Battaile, K.P., Rathnayake, A.D., Zheng, J., Kim, Y., Nguyen, H.N., Chang, K.O., Groutas, W.C. | | Deposit date: | 2020-06-30 | | Release date: | 2020-07-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Efficacy of post-infection treatment of 3CL Protease in the mouse model of MERS-coronavirus infection
To be published
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2LNC | | SOLUTION NMR STRUCTURE OF NORWALK VIRUS PROTEASE | | Descriptor: | 3C-like protease | | Authors: | Takahashi, D., Hiromasa, Y., Kim, Y., Anbanandam, A., Chang, K., Prakash, O. | | Deposit date: | 2011-12-22 | | Release date: | 2012-12-26 | | Last modified: | 2013-03-27 | | Method: | SOLUTION NMR | | Cite: | Structural and dynamics characterization of norovirus protease.
Protein Sci., 22, 2013
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4F49 | | 2.25A RESOLUTION STRUCTURE OF TRANSMISSIBLE GASTROENTERITIS VIRUS PROTEASE CONTAINING A COVALENTLY BOUND DIPEPTIDYL INHIBITOR | | Descriptor: | 3C-like proteinase, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S., Battaile, K.P., Kim, Y., Tiew, K.-C., Mandadapu, S.R., Alliston, K.R., Groutas, W.C., Chang, K.-O. | | Deposit date: | 2012-05-10 | | Release date: | 2012-09-05 | | Last modified: | 2020-05-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
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4XBB | | 1.85A RESOLUTION STRUCTURE OF NOROVIRUS 3CL PROTEASE COMPLEX WITH A COVALENTLY BOUND DIPEPTIDYL INHIBITOR DIETHYL [(1R,2S)-2-[(N-{[(3-CHLOROBENZYL)OXY]CARBONYL}-3-CYCLOHEXYL-L-ALANYL)AMINO]-1-HYDROXY-3-(2-OXO-2H-PYRROL-3-YL)PROPYL]PHOSPHONATE | | Descriptor: | 3C-LIKE PROTEASE, diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate, SULFATE ION | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Kankanamalage, A.C.G., Kim, Y., Weerawarna, P.M., Uy, R.A.Z., Damalanka, V.C., Mandadapu, S.R., Alliston, K.R., Groutas, W.C., Chang, K.-O. | | Deposit date: | 2014-12-16 | | Release date: | 2015-03-25 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies.
J.Med.Chem., 58, 2015
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4XBC | | 1.60 A RESOLUTION STRUCTURE OF NOROVIRUS 3CL PROTEASE COMPLEX WITH A COVALENTLY BOUND DIPEPTIDYL INHIBITOR (1R,2S)-2-({N-[(BENZYLOXY)CARBONYL]-3-CYCLOHEXYL-L-ALANYL}AMINO)-1-HYDROXY-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPANE-1-SULFONIC ACID (HEXAGONAL FORM) | | Descriptor: | 3C-LIKE PROTEASE, (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Kankanamalage, A.C.G., Kim, Y., Weerawarna, P.M., Uy, R.A.Z., Damalanka, V.C., Mandadapu, S.R., Alliston, K.R., Groutas, W.C., Chang, K.-O. | | Deposit date: | 2014-12-16 | | Release date: | 2015-03-25 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies.
J.Med.Chem., 58, 2015
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4XBD | | 1.45A RESOLUTION STRUCTURE OF NOROVIRUS 3CL PROTEASE COMPLEX WITH A COVALENTLY BOUND DIPEPTIDYL INHIBITOR (1R,2S)-2-({N-[(BENZYLOXY)CARBONYL]-3-CYCLOHEXYL-L-ALANYL}AMINO)-1-HYDROXY-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPANE-1-SULFONIC ACID (ORTHORHOMBIC P FORM) | | Descriptor: | 3C-LIKE PROTEASE, (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Kankanamalage, A.C.G., Kim, Y., Weerawarna, P.M., Uy, R.A.Z., Damalanka, V.C., Mandadapu, S.R., Alliston, K.R., Groutas, W.C., Chang, K.-O. | | Deposit date: | 2014-12-16 | | Release date: | 2015-03-25 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies.
J.Med.Chem., 58, 2015
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5DG6 | | 2.35A RESOLUTION STRUCTURE OF NOROVIRUS 3CL PROTEASE IN COMPLEX AN OXADIAZOLE-BASED, CELL PERMEABLE MACROCYCLIC (21-MER) INHIBITOR | | Descriptor: | 3C-LIKE PROTEASE, CHLORIDE ION, tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Damalanka, V.C., Kim, Y., Alliston, K.R., Weerawarna, P.M., Kankanamalage, A.C.G., Lushington, G.H., Chang, K.-O., Groutas, W.C. | | Deposit date: | 2015-08-27 | | Release date: | 2016-02-10 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Oxadiazole-Based Cell Permeable Macrocyclic Transition State Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 59, 2016
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5DGJ | | 1.0A RESOLUTION STRUCTURE OF NOROVIRUS 3CL PROTEASE IN COMPLEX AN OXADIAZOLE-BASED, CELL PERMEABLE MACROCYCLIC (20-MER) INHIBITOR | | Descriptor: | 3C-LIKE PROTEASE, tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Damalanka, V.C., Kim, Y., Alliston, K.R., Weerawarna, P.M., Kankanamalage, A.C.G., Lushington, G.H., Chang, K.-O., Groutas, W.C. | | Deposit date: | 2015-08-27 | | Release date: | 2016-02-10 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Oxadiazole-Based Cell Permeable Macrocyclic Transition State Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 59, 2016
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5E0G | | 1.20 A RESOLUTION STRUCTURE OF NOROVIRUS 3CL PROTEASE IN COMPLEX WITH A TRIAZOLE-BASED MACROCYCLIC (17-MER) INHIBITOR | | Descriptor: | Norovirus 3C-like protease, CHLORIDE ION, (phenylmethyl) ~{N}-[(8~{S},11~{S},14~{S})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Weerawarna, P.M., Kim, Y., Kankanamalage, A.C.G., Damalanka, V.C., Lushington, G.H., Alliston, K.R., Chang, K.-O., Groutas, W.C. | | Deposit date: | 2015-09-28 | | Release date: | 2016-05-04 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies.
Eur.J.Med.Chem., 119, 2016
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5E0H | | 1.95 A RESOLUTION STRUCTURE OF NOROVIRUS 3CL PROTEASE IN COMPLEX WITH A TRIAZOLE-BASED MACROCYCLIC (18-MER) INHIBITOR | | Descriptor: | Norovirus 3C-like protease, (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate, GLYCEROL | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Weerawarna, P.M., Kim, Y., Kankanamalage, A.C.G., Damalanka, V.C., Lushington, G.H., Alliston, K.R., Chang, K.-O., Groutas, W.C. | | Deposit date: | 2015-09-28 | | Release date: | 2016-05-04 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies.
Eur.J.Med.Chem., 119, 2016
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5E0J | | 1.20 A RESOLUTION STRUCTURE OF NOROVIRUS 3CL PROTEASE IN COMPLEX WITH A TRIAZOLE-BASED MACROCYCLIC (21-MER) INHIBITOR | | Descriptor: | Norovirus 3C-like protease, CHLORIDE ION, (phenylmethyl) ~{N}-[(12~{S},15~{S},18~{S})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Weerawarna, P.M., Kim, Y., Kankanamalage, A.C.G., Damalanka, V.C., Lushington, G.H., Alliston, K.R., Chang, K.-O., Groutas, W.C. | | Deposit date: | 2015-09-28 | | Release date: | 2016-05-04 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies.
Eur.J.Med.Chem., 119, 2016
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5T6D | | 2.10 A RESOLUTION STRUCTURE OF NOROVIRUS 3CL PROTEASE IN COMPLEX WITH THE DIPEPTIDYL INHIBITOR 7L (HEXAGONAL FORM) | | Descriptor: | Genome polyprotein, 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L-alaninamide | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Kankanamalage, A.C.G., Kim, Y., Rathnayake, A.D., Damalanka, V.C., Weerawarna, P.M., Doyle, S.T., Alsoudi, A.F., Dissanayake, D.M.P., Chang, K.-O., Groutas, W.C. | | Deposit date: | 2016-09-01 | | Release date: | 2016-11-23 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based exploration and exploitation of the S4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors.
Eur J Med Chem, 126, 2016
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5T6F | | 1.90 A RESOLUTION STRUCTURE OF NOROVIRUS 3CL PROTEASE IN COMPLEX WITH THE DIPEPTIDYL INHIBITOR 7L (ORTHORHOMBIC P FORM) | | Descriptor: | Genome polyprotein, 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L-alaninamide | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Kankanamalage, A.C.G., Kim, Y., Rathnayake, A.D., Damalanka, V.C., Weerawarna, P.M., Doyle, S.T., Alsoudi, A.F., Dissanayake, D.M.P., Chang, K.-O., Groutas, W.C. | | Deposit date: | 2016-09-01 | | Release date: | 2016-11-23 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based exploration and exploitation of the S4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors.
Eur J Med Chem, 126, 2016
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5T6G | | 2.45 A RESOLUTION STRUCTURE OF NOROVIRUS 3CL PROTEASE IN COMPLEX WITH THE DIPEPTIDYL INHIBITOR 7M (HEXAGONAL FORM) | | Descriptor: | Genome polyprotein, 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide | | Authors: | Lovell, S., Battaile, K.P., Mehzabeen, N., Kankanamalage, A.C.G., Kim, Y., Rathnayake, A.D., Damalanka, V.C., Weerawarna, P.M., Doyle, S.T., Alsoudi, A.F., Dissanayake, D.M.P., Chang, K.-O., Groutas, W.C. | | Deposit date: | 2016-09-01 | | Release date: | 2016-11-23 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure-based exploration and exploitation of the S4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors.
Eur J Med Chem, 126, 2016
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