5RE4
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z1129283193
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-methylpyridin-3-yl)acetamide
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5RE5
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z33545544
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, N~1~-phenylpiperidine-1,4-dicarboxamide
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5RE6
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z54571979
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5RE7
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z30932204
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, N-[(4-sulfamoylphenyl)methyl]acetamide
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5RE8
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z2737076969
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5RE9
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z2856434836
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5REA
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z31432226
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, (azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5REB
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z2856434899
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 1-[(thiophen-3-yl)methyl]piperidin-4-ol
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5REC
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z1587220559
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5RED
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z2856434865
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 4-[2-(phenylsulfanyl)ethyl]morpholine
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5REE
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z2217052426
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, (2R,3R)-1-benzyl-2-methylpiperidin-3-ol
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5REF
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z24758179
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, methyl 3-(methylsulfonylamino)benzoate
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5REG
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z1545313172
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5REH
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z111507846
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5REI
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z2856434856
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 4-[(3-chlorophenyl)methyl]morpholine
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5REJ
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH PCM-0102241
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5REK
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH PCM-0102327
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5REL
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH PCM-0102340
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5REM
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH PCM-0103016
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5REN
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH PCM-0102425
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5REO
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH PCM-0102578
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5REP
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH PCM-0102201
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5RER
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH PCM-0102615
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5RES
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH PCM-0102281
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
5RET
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH PCM-0102269
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
To Be Published
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