LiteFold/PDB huggingface dataset:
PDB entry 5rek: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102327
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.74 Å
Deposited: 2020-03-15
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.
PDB entry 5rel: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102340
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.62 Å
Deposited: 2020-03-15
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.
PDB entry 5rem: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103016
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.96 Å
Deposited: 2020-03-15
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.
PDB entry 5ren: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102425
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.15 Å
Deposited: 2020-03-15
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.
PDB entry 5reo: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102578
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.88 Å
Deposited: 2020-03-15
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.
PDB entry 5rep: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102201
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.81 Å
Deposited: 2020-03-15
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.
PDB entry 5req: Methylmalonyl-COA MUTASE, Y89F Mutant, substrate complex
Classification: ISOMERASE
Source organism: Propionibacterium freudenreichii subsp. shermanii
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 1998-08-03
Authors: Evans, P.R., Thomae, N.H.
PDB entry 5rer: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102615
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.88 Å
Deposited: 2020-03-15
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.
PDB entry 5res: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102281
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.65 Å
Deposited: 2020-03-15
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.
PDB entry 5ret: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102269
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.68 Å
Deposited: 2020-03-15
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.
PDB entry 5reu: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102395
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.69 Å
Deposited: 2020-03-15
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.
PDB entry 5rev: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103072
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.6 Å
Deposited: 2020-03-15
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.
PDB entry 5rew: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102275
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.55 Å
Deposited: 2020-03-15
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.
PDB entry 5rex: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102287
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.07 Å
Deposited: 2020-03-15
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.
PDB entry 5rey: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102911
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.96 Å
Deposited: 2020-03-15
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.
PDB entry 5rez: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with POB0129
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.79 Å
Deposited: 2020-03-15
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.
PDB entry 5rf0: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with POB0073
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.65 Å
Deposited: 2020-03-15
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.
PDB entry 5rf1: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00023830
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.73 Å
Deposited: 2020-03-15
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.
PDB entry 5rf2: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741969146
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.53 Å
Deposited: 2020-03-15
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.
PDB entry 5rf3: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741970824
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.5 Å
Deposited: 2020-03-15
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.
PDB entry 5rf4: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741982125
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.61 Å
Deposited: 2020-03-15
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.
PDB entry 5rf5: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z3241250482
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.74 Å
Deposited: 2020-03-15
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.
PDB entry 5rf6: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1348371854
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.45 Å
Deposited: 2020-03-15
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.
PDB entry 5rf7: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z316425948_minor
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.54 Å
Deposited: 2020-03-15
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.
PDB entry 5rf8: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z271004858
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.44 Å
Deposited: 2020-03-15
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.
PDB entry 5rf9: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z217038356
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.43 Å
Deposited: 2020-03-15
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.
PDB entry 5rfa: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2643472210
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.52 Å
Deposited: 2020-03-15
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.
PDB entry 5rfb: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1271660837
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.48 Å
Deposited: 2020-03-15
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.
PDB entry 5rfc: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z979145504
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.4 Å
Deposited: 2020-03-15
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.
PDB entry 5rfd: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z126932614
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.41 Å
Deposited: 2020-03-15
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.
PDB entry 5rfe: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z509756472
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.46 Å
Deposited: 2020-03-15
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.
PDB entry 5rff: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102704
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.78 Å
Deposited: 2020-03-15
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.
PDB entry 5rfg: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102372
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.32 Å
Deposited: 2020-03-15
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.
PDB entry 5rfh: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102277
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.58 Å
Deposited: 2020-03-15
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.
PDB entry 5rfi: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102353
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.69 Å
Deposited: 2020-03-15
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.
PDB entry 5rfj: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103067
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.8 Å
Deposited: 2020-03-15
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.
PDB entry 5rfk: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102575
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.75 Å
Deposited: 2020-03-15
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.
PDB entry 5rfl: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102389
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.64 Å
Deposited: 2020-03-15
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.
PDB entry 5rfm: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102539
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.06 Å
Deposited: 2020-03-15
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.
PDB entry 5rfn: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102868
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.8 Å
Deposited: 2020-03-15
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.
PDB entry 5rfo: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102972
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.83 Å
Deposited: 2020-03-15
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.
PDB entry 5rfp: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102190
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.03 Å
Deposited: 2020-03-15
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.
PDB entry 5rfq: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102179
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.76 Å
Deposited: 2020-03-15
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.
PDB entry 5rfr: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102169
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.71 Å
Deposited: 2020-03-15
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.
PDB entry 5rfs: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102739
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.7 Å
Deposited: 2020-03-15
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.
PDB entry 5rft: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102432
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.58 Å
Deposited: 2020-03-15
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.
PDB entry 5rfu: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102121
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.53 Å
Deposited: 2020-03-15
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.
PDB entry 5rfv: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102306
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.48 Å
Deposited: 2020-03-15
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.
PDB entry 5rfw: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102243
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.43 Å
Deposited: 2020-03-15
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.
PDB entry 5rfx: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102254
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.55 Å
Deposited: 2020-03-15
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.
PDB entry 5rfy: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102974
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.9 Å
Deposited: 2020-03-15
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.
PDB entry 5rfz: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102274
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.68 Å
Deposited: 2020-03-15
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.
PDB entry 5rg0: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102535
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.72 Å
Deposited: 2020-03-15
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.
PDB entry 5rg1: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00024905
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.65 Å
Deposited: 2020-03-18
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.
PDB entry 5rg2: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025058
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.63 Å
Deposited: 2020-03-18
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.
PDB entry 5rg3: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025412
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.58 Å
Deposited: 2020-03-18
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.
PDB entry 5rg4: Crystal Structure of Kemp Eliminase HG3 in unbound state, 277K
Classification: HYDROLASE
Source organism: Thermoascus aurantiacus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.99 Å
Deposited: 2020-03-19
Authors: Broom, A., Rakotoharisoa, R.V., Thompson, M.C., Fraser, J.S., Chica, R.A.
PDB entry 5rg5: Crystal Structure of Kemp Eliminase HG3.3b in unbound state, 277K
Classification: HYDROLASE
Source organism: Thermoascus aurantiacus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.62 Å
Deposited: 2020-03-19
Authors: Broom, A., Rakotoharisoa, R.V., Thompson, M.C., Fraser, J.S., Chica, R.A.
PDB entry 5rg6: Crystal Structure of Kemp Eliminase HG3.7 in unbound state, 277K
Classification: HYDROLASE
Source organism: Thermoascus aurantiacus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.35 Å
Deposited: 2020-03-19
Authors: Broom, A., Rakotoharisoa, R.V., Thompson, M.C., Fraser, J.S., Chica, R.A.
PDB entry 5rg7: Crystal Structure of Kemp Eliminase HG3.14 in unbound state, 277K
Classification: HYDROLASE
Source organism: Thermoascus aurantiacus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.47 Å
Deposited: 2020-03-19
Authors: Broom, A., Rakotoharisoa, R.V., Thompson, M.C., Fraser, J.S., Chica, R.A.
PDB entry 5rg8: Crystal Structure of Kemp Eliminase HG3.17 in unbound state, 277K
Classification: HYDROLASE
Source organism: Thermoascus aurantiacus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.73 Å
Deposited: 2020-03-19
Authors: Broom, A., Rakotoharisoa, R.V., Thompson, M.C., Fraser, J.S., Chica, R.A.
PDB entry 5rg9: Crystal Structure of Kemp Eliminase HG4 in unbound state, 277K
Classification: HYDROLASE
Source organism: Thermoascus aurantiacus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.47 Å
Deposited: 2020-03-19
Authors: Broom, A., Rakotoharisoa, R.V., Thompson, M.C., Fraser, J.S., Chica, R.A.
PDB entry 5rga: Crystal Structure of Kemp Eliminase HG3 with bound transition state analogue, 277K
Classification: HYDROLASE
Source organism: Thermoascus aurantiacus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.86 Å
Deposited: 2020-03-19
Authors: Broom, A., Rakotoharisoa, R.V., Thompson, M.C., Fraser, J.S., Chica, R.A.
PDB entry 5rgb: Crystal Structure of Kemp Eliminase HG3.3b with bound transition state analogue, 277K
Classification: HYDROLASE
Source organism: Thermoascus aurantiacus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.42 Å
Deposited: 2020-03-19
Authors: Broom, A., Rakotoharisoa, R.V., Thompson, M.C., Fraser, J.S., Chica, R.A.
PDB entry 5rgc: Crystal Structure of Kemp Eliminase HG3.7 with bound transition state analogue, 277K
Classification: HYDROLASE
Source organism: Thermoascus aurantiacus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.39 Å
Deposited: 2020-03-19
Authors: Broom, A., Rakotoharisoa, R.V., Thompson, M.C., Fraser, J.S., Chica, R.A.
PDB entry 5rgd: Crystal Structure of Kemp Eliminase HG3.14 with bound transition state analogue, 277K
Classification: HYDROLASE
Source organism: Thermoascus aurantiacus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.6 Å
Deposited: 2020-03-19
Authors: Broom, A., Rakotoharisoa, R.V., Thompson, M.C., Fraser, J.S., Chica, R.A.
PDB entry 5rge: Crystal Structure of Kemp Eliminase HG3.17 with bound transition state analog, 277K
Classification: HYDROLASE
Source organism: Thermoascus aurantiacus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.77 Å
Deposited: 2020-03-19
Authors: Broom, A., Rakotoharisoa, R.V., Thompson, M.C., Fraser, J.S., Chica, R.A.
PDB entry 5rgf: Crystal Structure of Kemp Eliminase HG4 with bound transition state analogue, 277K
Classification: HYDROLASE
Source organism: Thermoascus aurantiacus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.46 Å
Deposited: 2020-03-19
Authors: Broom, A., Rakotoharisoa, R.V., Thompson, M.C., Fraser, J.S., Chica, R.A.
PDB entry 5rgg: 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)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.26 Å
Deposited: 2020-04-07
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.
PDB entry 5rgh: 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)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.7 Å
Deposited: 2020-04-07
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.
PDB entry 5rgi: 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)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.57 Å
Deposited: 2020-04-07
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.
PDB entry 5rgj: 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)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.34 Å
Deposited: 2020-04-07
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.
PDB entry 5rgk: 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)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.43 Å
Deposited: 2020-04-07
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.
PDB entry 5rgl: 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)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.76 Å
Deposited: 2020-04-07
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.
PDB entry 5rgm: 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)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.04 Å
Deposited: 2020-04-07
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.
PDB entry 5rgn: 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)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.86 Å
Deposited: 2020-04-07
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.
PDB entry 5rgo: 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)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.74 Å
Deposited: 2020-04-07
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.
PDB entry 5rgp: 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)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.07 Å
Deposited: 2020-04-07
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.
PDB entry 5rgq: 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)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.15 Å
Deposited: 2020-04-07
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.
PDB entry 5rgr: 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)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.41 Å
Deposited: 2020-04-07
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.
PDB entry 5rgs: 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)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.72 Å
Deposited: 2020-04-07
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.
PDB entry 5rgt: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011607 (Mpro-x2540)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.22 Å
Deposited: 2020-05-15
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.
PDB entry 5rgu: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444622180 (Mpro-x2562)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.108 Å
Deposited: 2020-05-15
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.
PDB entry 5rgv: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444622066 (Mpro-x2563)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.82 Å
Deposited: 2020-05-15
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.
PDB entry 5rgw: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444621910 (Mpro-x2569)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.43 Å
Deposited: 2020-05-15
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.
PDB entry 5rgx: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1344037997 (Mpro-x2572)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.69 Å
Deposited: 2020-05-15
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.
PDB entry 5rgy: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1535580916 (Mpro-x2581)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.976 Å
Deposited: 2020-05-15
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.
PDB entry 5rgz: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1343543528 (Mpro-x2600)
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.52 Å
Deposited: 2020-05-15
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.