6H0K
| Hen egg-white lysozyme structure determined with data from the EuXFEL, the first MHz free electron laser, 7.47 keV photon energy | Descriptor: | Lysozyme C | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-07-10 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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6H0L
| Hen egg-white lysozyme structure determined with data from the EuXFEL, 9.22 keV photon energy | Descriptor: | Lysozyme C | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-07-10 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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7PXZ
| Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | Deposit date: | 2021-10-08 | Release date: | 2023-01-18 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds. Nat Commun, 15, 2024
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7PZQ
| Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | Deposit date: | 2021-10-13 | Release date: | 2023-01-25 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds. Nat Commun, 15, 2024
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8QFG
| Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC after 5 seconds of blue light illumination | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ... | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | Deposit date: | 2023-09-04 | Release date: | 2023-11-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC. J.Mol.Biol., 436, 2024
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8QFF
| Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC with ATP bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ... | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | Deposit date: | 2023-09-11 | Release date: | 2023-11-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC. J.Mol.Biol., 436, 2024
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8QFE
| Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC | Descriptor: | FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, MAGNESIUM ION | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | Deposit date: | 2023-09-04 | Release date: | 2023-11-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC. J.Mol.Biol., 436, 2024
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8QFH
| Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC with ATP bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ... | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | Deposit date: | 2023-09-04 | Release date: | 2023-11-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC. J.Mol.Biol., 436, 2024
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8QFJ
| Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC after blue light excitation at 2.3 us delay | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ... | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | Deposit date: | 2023-09-04 | Release date: | 2023-11-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC. J.Mol.Biol., 436, 2024
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8QFI
| Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC after blue light excitation at 1.8 us delay | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ... | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Sato, T, Round, A, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | Deposit date: | 2023-09-04 | Release date: | 2023-11-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC. J.Mol.Biol., 436, 2024
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6GW9
| Concanavalin A structure determined with data from the EuXFEL, the first MHz free electron laser | Descriptor: | CALCIUM ION, Concanavalin V, MAGNESIUM ION | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-06-22 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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6GWA
| Concanavalin B structure determined with data from the EuXFEL, the first MHz free electron laser | Descriptor: | Concanavalin B | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-06-22 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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6WEB
| Multi-Hit SFX using MHz XFEL sources | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Holmes, S, Darmanin, C, Abbey, B. | Deposit date: | 2020-04-01 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers. Nat Commun, 13, 2022
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6WEC
| Multi-Hit SFX using MHz XFEL sources | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Holmes, S, Darmanin, C, Abbey, B. | Deposit date: | 2020-04-01 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers. Nat Commun, 13, 2022
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7Z2K
| Crystal structure of SARS-CoV-2 Main Protease in orthorhombic space group p212121 | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2022-02-28 | Release date: | 2023-03-22 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds. Nat Commun, 15, 2024
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7TUM
| Multi-Hit SFX using MHz XFEL sources- first hit | Descriptor: | 1,2-ETHANEDIOL, Lysozyme C, SODIUM ION | Authors: | Darmanin, C, Holmes, S, Abbey, B. | Deposit date: | 2022-02-03 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.202 Å) | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers. Nat Commun, 13, 2022
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7R1E
| Mosquitocidal Cry11Ba determined at pH 10.4 from naturally-occurring nanocrystals by Serial femtosecond crystallography | Descriptor: | GLYCEROL, Pesticidal crystal protein Cry11Ba | Authors: | Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A. | Deposit date: | 2022-02-02 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
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6PFY
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6GTH
| Serial Femtosecond Crystallography at Megahertz pulse rates | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H. | Deposit date: | 2018-06-18 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Megahertz serial crystallography. Nat Commun, 9, 2018
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6FTR
| Serial Femtosecond Crystallography at Megahertz pulse rates | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N. | Deposit date: | 2018-02-23 | Release date: | 2018-10-10 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.76000106 Å) | Cite: | Megahertz serial crystallography. Nat Commun, 9, 2018
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7QYD
| mosquitocidal Cry11Ba determined at pH 6.5 from naturally-occurring nanocrystals by Serial femtosecond crystallography | Descriptor: | Pesticidal crystal protein Cry11Ba | Authors: | De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A. | Deposit date: | 2022-01-28 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
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7QX4
| mosquitocidal Cry11Aa determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography | Descriptor: | Pesticidal crystal protein Cry11Aa | Authors: | De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P. | Deposit date: | 2022-01-26 | Release date: | 2022-07-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
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7QX6
| mosquitocidal Cry11Aa-E583Q determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography | Descriptor: | Pesticidal crystal protein Cry11Aa | Authors: | De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P. | Deposit date: | 2022-01-26 | Release date: | 2022-07-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
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7QX5
| mosquitocidal Cry11Aa-Y449F determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography | Descriptor: | Pesticidal crystal protein Cry11Aa | Authors: | De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P. | Deposit date: | 2022-01-26 | Release date: | 2022-07-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
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7QX7
| mosquitocidal Cry11Aa-F17Y determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography | Descriptor: | Pesticidal crystal protein Cry11Aa | Authors: | De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P. | Deposit date: | 2022-01-26 | Release date: | 2022-07-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
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