5RGG
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PANDDA ANALYSIS GROUP DEPOSITION SARS-COV-2 MAIN PROTEASE FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z2856434890 (MPRO-X0165)
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 4-methyl-N-phenylpiperazine-1-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:2020-04-07
Release date:2020-04-15
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RGH
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PANDDA ANALYSIS GROUP DEPOSITION SARS-COV-2 MAIN PROTEASE FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z1619978933 (MPRO-X0395)
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine
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:2020-04-07
Release date:2020-04-15
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RGI
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PANDDA ANALYSIS GROUP DEPOSITION SARS-COV-2 MAIN PROTEASE FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z369936976 (MPRO-X0397)
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]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:2020-04-07
Release date:2020-04-15
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RGJ
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PANDDA ANALYSIS GROUP DEPOSITION SARS-COV-2 MAIN PROTEASE FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z1401276297 (MPRO-X0425)
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, (5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
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:2020-04-07
Release date:2020-04-15
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RGK
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PANDDA ANALYSIS GROUP DEPOSITION SARS-COV-2 MAIN PROTEASE FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z1310876699 (MPRO-X0426)
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide
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:2020-04-07
Release date:2020-04-15
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RGL
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PANDDA ANALYSIS GROUP DEPOSITION SARS-COV-2 MAIN PROTEASE FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH PCM-0102962 (MPRO-X0705)
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 1-[4-(4-methylbenzene-1-carbonyl)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:2020-04-07
Release date:2020-04-15
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RGM
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PANDDA ANALYSIS GROUP DEPOSITION SARS-COV-2 MAIN PROTEASE FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH PCM-0102142 (MPRO-X0708)
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
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:2020-04-07
Release date:2020-04-15
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RGN
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PANDDA ANALYSIS GROUP DEPOSITION SARS-COV-2 MAIN PROTEASE FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH PCM-0102759 (MPRO-X0731)
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 1-{4-[(4-methylphenyl)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:2020-04-07
Release date:2020-04-15
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RGO
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PANDDA ANALYSIS GROUP DEPOSITION SARS-COV-2 MAIN PROTEASE FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH PCM-0102248 (MPRO-X0736)
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 1-[4-(furan-2-carbonyl)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:2020-04-07
Release date:2020-04-15
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RGP
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PANDDA ANALYSIS GROUP DEPOSITION SARS-COV-2 MAIN PROTEASE FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH PCM-0102628 (MPRO-X0771)
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 1-{4-[(2,4-dimethylphenyl)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:2020-04-07
Release date:2020-04-15
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RGQ
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PANDDA ANALYSIS GROUP DEPOSITION SARS-COV-2 MAIN PROTEASE FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z1849009686 (MPRO-X1086)
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, 1-(4-fluoro-2-methylphenyl)methanesulfonamide
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:2020-04-07
Release date:2020-04-15
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RGR
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PANDDA ANALYSIS GROUP DEPOSITION SARS-COV-2 MAIN PROTEASE FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z328695024 (MPRO-X1101)
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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:2020-04-07
Release date:2020-04-15
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5RGS
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PANDDA ANALYSIS GROUP DEPOSITION SARS-COV-2 MAIN PROTEASE FRAGMENT SCREEN -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z1259086950 (MPRO-X1163)
Descriptor:3C-like proteinase, DIMETHYL SULFOXIDE, [(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol
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:2020-04-07
Release date:2020-04-15
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published