RCSB PDB: Search

5MND \| pdb_00005mnd	Download File View File

SFX structure of Cydia pomonella granulovirus using a double flow-focusing nozzle

Oberthuer, D., Chapman, H., Doerner, K., Xavier, P.L.

(2017) Sci Rep 7: 44628-44628

Released	2017-03-29
Method	X-RAY DIFFRACTION 2.56 Å
Organisms	Cydia pomonella granulosis virus (isolate Mexican)
Macromolecule	Granulin (protein)

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5NJP \| pdb_00005njp	Download File View File

Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 1s time-delay, phased with 1HEW

Oberthuer, D., Meents, A., Beyerlein, K.R., Chapman, H.N., Lieseke, J.

(2017) IUCrJ 4: 769-777

Released	2017-10-18
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Gallus gallus
Macromolecule	Lysozyme C (protein)
Unique Ligands	CL, NA
Unique branched monosaccharides	NAG

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5NJQ \| pdb_00005njq	Download File View File

Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 1s time-delay, phased with 4ET8

Oberthuer, D., Meents, A., Beyerlein, K.R., Chapman, H.N., Lieseke, J.

(2017) IUCrJ 4: 769-777

Released	2017-10-18
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Gallus gallus
Macromolecule	Lysozyme C (protein)
Unique Ligands	CL, NA
Unique branched monosaccharides	NAG

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5NJR \| pdb_00005njr	Download File View File

Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 50s time-delay, phased with 4ET8

Oberthuer, D., Meents, A., Beyerlein, K.R., Chapman, H.N., Lieseke, J.

(2017) IUCrJ 4: 769-777

Released	2017-10-18
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Gallus gallus
Macromolecule	Lysozyme C (protein)
Unique Ligands	CL, NA
Unique branched monosaccharides	NAG

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5NJS \| pdb_00005njs	Download File View File

Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 50s time-delay, phased with 1HEW

Oberthuer, D., Meents, A., Beyerlein, K.R., Chapman, H.N., Lieseke, J.

(2017) IUCrJ 4: 769-777

Released	2017-10-18
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Gallus gallus
Macromolecule	Lysozyme C (protein)
Unique Ligands	CL, NA
Unique branched monosaccharides	NAG

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5TRX \| pdb_00005trx	Download File View File

Room temperature structure of an extradiol ring-cleaving dioxygenase from B.fuscum determined using serial femtosecond crystallography

Kovaleva, E.G., Oberthuer, D., Tolstikova, A., Mariani, V.

(2017) Sci Rep 7: 44628

Released	2017-03-22
Method	X-RAY DIFFRACTION 2.38 Å
Organisms	Brevibacterium fuscum
Macromolecule	Homoprotocatechuate 2,3-dioxygenase (protein)
Unique Ligands	CA, CL, FE2

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5U5Q \| pdb_00005u5q	Download File View File

12 Subunit RNA Polymerase II at Room Temperature collected using SFX

Bushnell, D.A., Oberthur, D., Mariani, V., Yefanov, O., Tolstikova, A., Barty, A.

(2017) Sci Rep 7: 44628-44628

Released	2017-03-29
Method	X-RAY DIFFRACTION 3.8 Å
Organisms	Saccharomyces cerevisiae S288C
Macromolecule	Unique protein chains: 12
Unique Ligands	MG, ZN

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6FTR \| pdb_00006ftr	Download File View File

Serial Femtosecond Crystallography at Megahertz pulse rates

Wiedorn, M.O., Oberthuer, D., Barty, A., Chapman, H.N.

(2018) Nat Commun 9: 4025-4025

Released	2018-10-10
Method	X-RAY DIFFRACTION 1.76000104975 Å
Organisms	Gallus gallus
Macromolecule	Lysozyme C (protein)
Unique Ligands	ACT, CL, EDO, NA

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6GTH \| pdb_00006gth	Download File View File

Serial Femtosecond Crystallography at Megahertz pulse rates

Wiedorn, M., Oberthuer, D., Werner, N., Schubert, R., White, T.A., Mancuso, A., Perbandt, M., Betzel, C., Barty, A., Chapman, H.

(2018) Nat Commun 9: 4025-4025

Released	2018-10-10
Method	X-RAY DIFFRACTION 1.69 Å
Organisms	Klebsiella pneumoniae
Macromolecule	Beta-lactamase (protein)
Unique Ligands	NXL

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6R2O \| pdb_00006r2o	Download File View File

Hemoglobin structure from serial crystallography with a 3D-printed nozzle.

Oberthuer, D., Yefanov, O., Sarrou, I.

(2020) Nat Commun 11: 657-657

Released	2020-01-29
Method	X-RAY DIFFRACTION 2.46 Å
Organisms	Equus caballus
Macromolecule	Hemoglobin subunit alpha (protein) Hemoglobin subunit beta (protein)
Unique Ligands	CL, HEM, NA, PEG

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6WEB \| pdb_00006web	Download File View File

Multi-Hit SFX using MHz XFEL sources

Holmes, S., Darmanin, C., Abbey, B.

(2022) Nat Commun 13: 4708-4708

Released	2021-10-13
Method	X-RAY DIFFRACTION 2.1 Å
Organisms	Gallus gallus
Macromolecule	Lysozyme (protein)
Unique Ligands	ACT, CL, EDO

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6WEC \| pdb_00006wec	Download File View File

Multi-Hit SFX using MHz XFEL sources

Holmes, S., Darmanin, C., Abbey, B.

(2022) Nat Commun 13: 4708-4708

Released	2021-10-13
Method	X-RAY DIFFRACTION 2.1 Å
Organisms	Gallus gallus
Macromolecule	Lysozyme (protein)
Unique Ligands	ACT, CL, EDO

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6YNQ \| pdb_00006ynq	Download File View File

Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone.

Guenther, S., Reinke, P., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Paulraj, L.X., Ullah, N., Falke, S., Alves Franca, B., Schwinzer, M., Brognaro, H., Werner, N., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Doyle, J.J., Giseler, H., Melo, D., Dunkel, I., Lane, T.J., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.

(2021) Science 372: 642-646

Released	2020-04-29
Method	X-RAY DIFFRACTION 1.8 Å
Organisms	Severe acute respiratory syndrome coronavirus 2
Macromolecule	3C-like proteinase (protein)
Unique Ligands	CL, DMS, P6N

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6YVF \| pdb_00006yvf	Download File View File

Structure of SARS-CoV-2 Main Protease bound to AZD6482.

Guenther, S., Reinke, P., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Paulraj, L.X., Ullah, N., Falke, S., Alves Franca, B., Schwinzer, M., Brognaro, H., Werner, N., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Doyle, J.J., Giseler, H., Melo, D., Dunkel, I., Lane, T.J., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.

(2021) Science 372: 642-646

Released	2020-05-20
Method	X-RAY DIFFRACTION 1.6 Å
Organisms	Severe acute respiratory syndrome coronavirus 2
Macromolecule	3C-like proteinase (protein)
Unique Ligands	A82, CA, CL, DMS, PEG

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7A1U \| pdb_00007a1u	Download File View File

Structure of SARS-CoV-2 Main Protease bound to Fusidic Acid.

Guenther, S., Reinke, P., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Paulraj, L.X., Ullah, N., Andaleeb, H., Werner, N., Falke, S., Alves Franca, B., Schwinzer, M., Brognaro, H., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Doyle, J.J., Giseler, H., Melo, D., Dunkel, I., Lane, T.J., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.

(2021) Science 372: 642-646

Released	2020-12-02
Method	X-RAY DIFFRACTION 1.67 Å
Organisms	Severe acute respiratory syndrome coronavirus 2
Macromolecule	3C-like proteinase (protein)
Unique Ligands	DMS, FUA, IMD

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7ABU \| pdb_00007abu	Download File View File

Structure of SARS-CoV-2 Main Protease bound to RS102895

Guenther, S., Reinke, P.Y.A., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Paulraj, L.X., Ullah, N., Falke, S., Alves Franca, B., Schwinzer, M., Brognaro, H., Werner, N., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Doyle, J.J., Giseler, H., Melo, D., Lane, T.J., Dunkel, I., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.

(2021) Science 372: 642-646

Released	2020-12-02
Method	X-RAY DIFFRACTION 1.6 Å
Organisms	Severe acute respiratory syndrome coronavirus 2
Macromolecule	3C-like proteinase (protein)
Unique Ligands	DMS, IMD, R6Q

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7ADW \| pdb_00007adw	Download File View File

Structure of SARS-CoV-2 Main Protease bound to 2,4'-Dimethylpropiophenone.

Guenther, S., Reinke, P., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Paulraj, L.X., Ullah, N., Falke, S., Alves Franca, B., Schwinzer, M., Brognaro, H., Werner, N., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Doyle, J.J., Giseler, H., Melo, D., Dunkel, I., Lane, T.J., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.

(2021) Science 372: 642-646

Released	2020-12-02
Method	X-RAY DIFFRACTION 1.63 Å
Organisms	Severe acute respiratory syndrome coronavirus 2
Macromolecule	3C-like proteinase (protein)
Unique Ligands	CL, DMS, IMD, R7Q

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7AF0 \| pdb_00007af0	Download File View File

Structure of SARS-CoV-2 Main Protease bound to Ipidacrine.

Guenther, S., Reinke, P., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Paulraj, L.X., Ullah, N., Falke, S., Alves Franca, B., Schwinzer, M., Brognaro, H., Werner, N., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Doyle, J.J., Giseler, H., Melo, D., Dunkel, I., Lane, T.J., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.

(2021) Science 372: 642-646

Released	2020-12-02
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Severe acute respiratory syndrome coronavirus 2
Macromolecule	3C-like proteinase (protein)
Unique Ligands	CL, DMS, R9W

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7AGA \| pdb_00007aga	Download File View File

Structure of SARS-CoV-2 Main Protease bound to AT7519

Guenther, S., Reinke, P., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Paulraj, L.X., Ullah, N., Andaleeb, H., Werner, N., Falke, S., Hinrichs, W., Alves Franca, B., Schwinzer, M., Brognaro, H., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Doyle, J.J., Giseler, H., Melo, D., Dunkel, I., Lane, T.J., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Boger, J., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.

(2021) Science 372: 642-646

Released	2020-12-02
Method	X-RAY DIFFRACTION 1.68 Å
Organisms	Severe acute respiratory syndrome coronavirus 2
Macromolecule	3C-like proteinase (protein)
Unique Ligands	CL, DMS, LZE

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7AHA \| pdb_00007aha	Download File View File

Structure of SARS-CoV-2 Main Protease bound to Maleate.

Guenther, S., Reinke, P., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Paulraj, L.X., Ullah, N., Andaleeb, H., Werner, N., Falke, S., Hinrichs, W., Alves Franca, B., Schwinzer, M., Brognaro, H., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Doyle, J.J., Giseler, H., Melo, D., Dunkel, I., Lane, T.J., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Boger, J., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.

(2021) Science 372: 642-646

Released	2020-12-02
Method	X-RAY DIFFRACTION 1.68 Å
Organisms	Severe acute respiratory syndrome coronavirus 2
Macromolecule	3C-like proteinase (protein)
Unique Ligands	CL, DMS, SIN

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7AK4 \| pdb_00007ak4	Download File View File

Structure of SARS-CoV-2 Main Protease bound to Tretazicar.

Guenther, S., Reinke, P., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Paulraj, L.X., Ullah, N., Falke, S., Alves Franca, B., Schwinzer, M., Brognaro, H., Werner, N., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Doyle, J.J., Giseler, H., Melo, D., Dunkel, I., Lane, T.J., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.

(2021) Science 372: 642-646

Released	2020-12-02
Method	X-RAY DIFFRACTION 1.63 Å
Organisms	Severe acute respiratory syndrome coronavirus 2
Macromolecule	3C-like proteinase (protein)
Unique Ligands	CB1, CL, DMS

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7AKU \| pdb_00007aku	Download File View File

Structure of SARS-CoV-2 Main Protease bound to Calpeptin.

Guenther, S., Reinke, P., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Paulraj, L.X., Ullah, N., Falke, S., Alves Franca, B., Schwinzer, M., Brognaro, H., Werner, N., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Doyle, J.J., Giseler, H., Melo, D., Dunkel, I., Lane, T.J., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.

(2021) Science 372: 642-646

Released	2020-10-28
Method	X-RAY DIFFRACTION 2.5 Å
Organisms	Severe acute respiratory syndrome coronavirus 2 synthetic construct
Macromolecule	3C-like proteinase (protein) Calpeptin (protein)
Unique Ligands	CL

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7AMJ \| pdb_00007amj	Download File View File

Structure of SARS-CoV-2 Main Protease bound to PD 168568.

Guenther, S., Reinke, P., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Paulraj, L.X., Ullah, N., Andaleeb, H., Werner, N., Falke, S., Hinrichs, W., Alves Franca, B., Schwinzer, M., Brognaro, H., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Doyle, J.J., Giseler, H., Melo, D., Dunkel, I., Lane, T.J., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Boger, J., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.

(2021) Science 372: 642-646

Released	2020-12-02
Method	X-RAY DIFFRACTION 1.59 Å
Organisms	Severe acute respiratory syndrome coronavirus 2
Macromolecule	3C-like proteinase (protein)
Unique Ligands	CL, DMS, RMZ

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7ANS \| pdb_00007ans	Download File View File

Structure of SARS-CoV-2 Main Protease bound to Adrafinil.

Ewert, W., Guenther, S., Reinke, P., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Paulraj, L.X., Ullah, N., Falke, S., Alves Franca, B., Schwinzer, M., Brognaro, H., Werner, N., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Doyle, J.J., Giseler, H., Melo, D., Dunkel, I., Lane, T.J., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.

(2021) Science 372: 642-646

Released	2020-12-02
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Severe acute respiratory syndrome coronavirus 2
Macromolecule	3C-like proteinase (protein)
Unique Ligands	DMS, RNW

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7AOL \| pdb_00007aol	Download File View File

Structure of SARS-CoV-2 Main Protease bound to Climbazole

Guenther, S., Reinke, P., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Paulraj, L.X., Ullah, N., Falke, S., Alves Franca, B., Schwinzer, M., Brognaro, H., Werner, N., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Doyle, J.J., Giseler, H., Melo, D., Dunkel, I., Lane, T.J., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.

(2021) Science 372: 642-646

Released	2020-12-02
Method	X-RAY DIFFRACTION 1.47 Å
Organisms	Severe acute respiratory syndrome coronavirus 2
Macromolecule	3C-like proteinase (protein)
Unique Ligands	DMS, IMD, RQH

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Structure Determination Methodology

Scientific Name of Source Organism

Taxonomy

Experimental Method

Polymer Entity Type

Refinement Resolution (Å)

Release Date

Enzyme Classification Name

Symmetry Type

SCOP Classification

5MND | pdb_00005mnd

5NJP | pdb_00005njp

5NJQ | pdb_00005njq

5NJR | pdb_00005njr

5NJS | pdb_00005njs

5TRX | pdb_00005trx

5U5Q | pdb_00005u5q

6FTR | pdb_00006ftr

6GTH | pdb_00006gth

6R2O | pdb_00006r2o

6WEB | pdb_00006web

6WEC | pdb_00006wec

6YNQ | pdb_00006ynq

6YVF | pdb_00006yvf

7A1U | pdb_00007a1u

7ABU | pdb_00007abu

7ADW | pdb_00007adw

7AF0 | pdb_00007af0

7AGA | pdb_00007aga

7AHA | pdb_00007aha

7AK4 | pdb_00007ak4

7AKU | pdb_00007aku

7AMJ | pdb_00007amj

7ANS | pdb_00007ans

7AOL | pdb_00007aol