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6TGL
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BU of 6tgl by Molmil
3c-like protease from Southampton virus complexed with FMOPL000644a.
Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, PHOSPHATE ION, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-11-16
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T2I
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BU of 6t2i by Molmil
3C-like protease from Southampton virus complexed with FMOPL000157a.
Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, N-(2-phenylethyl)methanesulfonamide
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-08
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T1Q
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BU of 6t1q by Molmil
3C-like protease from Southampton norovirus.
Descriptor: Genome polyprotein
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-05
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T4E
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BU of 6t4e by Molmil
Native C3-like protease from Southampton virus complexed with FMOPL000287a.
Descriptor: Genome polyprotein, ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-13
Release date:2020-08-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T5R
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BU of 6t5r by Molmil
3C-like protease from Southampton virus complexed with FMOPL000091a.
Descriptor: 3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-16
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T8R
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BU of 6t8r by Molmil
3C-like protease from Southampton virus complexed with FMOPL000605a.
Descriptor: 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-24
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TBO
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BU of 6tbo by Molmil
3C-like protease from Southampton virus complexed with FMOPL000363a.
Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, PHOSPHATE ION, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-11-02
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TBP
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BU of 6tbp by Molmil
3C-like protease from Southampton virus complexed with FMOPL000490a.
Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, ~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-11-03
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T71
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BU of 6t71 by Molmil
3C-like protease from Southampton virus complexed with XST00000375b.
Descriptor: 2-(1-benzofuran-3-yl)ethanoic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-20
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TAW
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BU of 6taw by Molmil
3C-like protease from Southampton virus complexed with FMOPL000411a.
Descriptor: Genome polyprotein, PHOSPHATE ION, ~{N}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-30
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T3G
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BU of 6t3g by Molmil
3C-like protease from Southampton virus complexed with FMOPL000324a.
Descriptor: 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-10
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T4S
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BU of 6t4s by Molmil
3C-like protease from Southampton virus complexed with FMOPL000013a.
Descriptor: 2-(trifluoromethoxy)benzoic acid, Genome polyprotein
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-14
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T5D
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BU of 6t5d by Molmil
3C-like protease from Southampton virus complexed with FMOPL000014a.
Descriptor: 2-phenylmethoxyaniline, Genome polyprotein
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-16
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TAL
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BU of 6tal by Molmil
3C-like protease from Southampton virus complexed with FMOPL000227a.
Descriptor: 5-ethyl-1,3,4-thiadiazol-2-amine, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-29
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T49
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BU of 6t49 by Molmil
3C-like protease from Southampton virus complexed with FMOPL000582a.
Descriptor: 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-13
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T2X
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BU of 6t2x by Molmil
3C-like protease from Southampton virus complexed with FMOPL000004a.
Descriptor: 1-(3-chlorophenyl)-N-methylmethanamine, Genome polyprotein, PHOSPHATE ION
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-10
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TCF
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BU of 6tcf by Molmil
3C-like protease from Southampton virus complexed with XST00000642b.
Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, PHOSPHATE ION, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-11-05
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T82
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BU of 6t82 by Molmil
3C-like protease from Southampton virus complexed with FMOPL000542a.
Descriptor: 4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-23
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T8T
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BU of 6t8t by Molmil
3C-like protease from Southampton virus complexed with FMOPL000603a.
Descriptor: 2-(4-ethoxyphenyl)ethanoic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-24
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
5RSG
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BU of 5rsg by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263392672
Descriptor: N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine, Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RSV
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BU of 5rsv by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000340465
Descriptor: 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID, Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RSH
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BU of 5rsh by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000274438208
Descriptor: 4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine, Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RSW
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BU of 5rsw by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000337835
Descriptor: 2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RSD
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BU of 5rsd by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000331945
Descriptor: Non-structural protein 3, quinazolin-4-amine
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RST
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BU of 5rst by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332673
Descriptor: 5-hydroxypyridine-3-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021

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