7O44
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7O51
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7O5K
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7O53
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7O5J
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6S19
| Structure of thaumatin determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.Ch. | Deposit date: | 2019-06-18 | Release date: | 2020-07-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers. Iucrj, 7, 2020
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6S1D
| Structure of thaumatin determined at SwissFEL using native-SAD at 4.57 keV from 20,000 diffraction patterns | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | Deposit date: | 2019-06-18 | Release date: | 2020-07-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers. Iucrj, 7, 2020
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6S1G
| Structure of thaumatin determined at SwissFEL using native-SAD at 6.06 keV from 50,000 diffraction patterns. | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | Deposit date: | 2019-06-18 | Release date: | 2020-07-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers. Iucrj, 7, 2020
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6S1E
| Structure of thaumatin determined at SwissFEL using native-SAD at 6.06 keV from all available diffraction patterns | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | Deposit date: | 2019-06-18 | Release date: | 2020-07-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers. Iucrj, 7, 2020
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6RFU
| In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of ATP and GMP as genuine co-factors | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase | Authors: | Nass, K, Redecke, L, Perbandt, M, Yefanov, O, Gabdulkhakov, A, Duszenko, M, Chapman, H.N, Betzel, C. | Deposit date: | 2019-04-16 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors. Nat Commun, 11, 2020
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6S0Q
| Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from 50,000 diffraction patterns | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | Deposit date: | 2019-06-18 | Release date: | 2020-07-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers. Iucrj, 7, 2020
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6S0L
| Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | Deposit date: | 2019-06-17 | Release date: | 2020-07-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers. Iucrj, 7, 2020
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4ET9
| Hen egg-white lysozyme solved from 5 fs free-electron laser pulse data | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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4ETD
| Lysozyme, room-temperature, rotating anode, 0.0026 MGy | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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4ETA
| Lysozyme, room temperature, 400 kGy dose | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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4XOU
| Crystal structure of the SR Ca2+-ATPase in the Ca2-E1-MgAMPPCP form determined by serial femtosecond crystallography using an X-ray free-electron laser. | Descriptor: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Bublitz, M, Nass, K, Drachmann, N.D, Markvardsen, A.J, Gutmann, M.J, Barends, T.R.M, Mattle, D, Shoeman, R.L, Doak, R.B, Boutet, S, Messerschmidt, M, Seibert, M.M, Williams, G.J, Foucar, L, Reinhard, L, Sitsel, O, Gregersen, J.L, Clausen, J.D, Boesen, T, Gotfryd, K, Wang, K.-T, Olesen, C, Moller, J.V, Nissen, P, Schlichting, I. | Deposit date: | 2015-01-16 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural studies of P-type ATPase-ligand complexes using an X-ray free-electron laser. Iucrj, 2, 2015
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4QX3
| Cry3A Toxin structure obtained by injecting Bacillus thuringiensis cells in an XFEL beam, collecting data by serial femtosecond crystallographic methods and processing data with the CrystFEL software suite | Descriptor: | Pesticidal crystal protein cry3Aa | Authors: | Sawaya, M.R, Cascio, D, Gingery, M, Rodriguez, J, Goldschmidt, L, Colletier, J.-P, Messerschmidt, M, Boutet, S, Koglin, J.E, Williams, G.J, Brewster, A.S, Nass, K, Hattne, J, Botha, S, Doak, R.B, Shoeman, R.L, DePonte, D.P, Park, H.-W, Federici, B.A, Sauter, N.K, Schlichting, I, Eisenberg, D. | Deposit date: | 2014-07-17 | Release date: | 2014-08-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Protein crystal structure obtained at 2.9 angstrom resolution from injecting bacterial cells into an X-ray free-electron laser beam. Proc.Natl.Acad.Sci.USA, 111, 2014
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4QX2
| Cry3A Toxin structure obtained by injecting Bacillus thuringiensis cells in an XFEL beam, collecting data by serial femtosecond crystallographic methods and processing data with the cctbx.xfel software suite | Descriptor: | Pesticidal crystal protein cry3Aa | Authors: | Sawaya, M.R, Cascio, D, Gingery, M, Rodriguez, J, Goldschmidt, L, Colletier, J.-P, Messerschmidt, M, Boutet, S, Koglin, J.E, Williams, G.J, Brewster, A.S, Nass, K, Hattne, J, Botha, S, Doak, R.B, Shoeman, R.L, DePonte, D.P, Park, H.-W, Federici, B.A, Sauter, N.K, Schlichting, I, Eisenberg, D. | Deposit date: | 2014-07-17 | Release date: | 2014-08-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Protein crystal structure obtained at 2.9 angstrom resolution from injecting bacterial cells into an X-ray free-electron laser beam. Proc.Natl.Acad.Sci.USA, 111, 2014
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4QX1
| Cry3A Toxin structure obtained by Serial Femtosecond Crystallography from in vivo grown crystals isolated from Bacillus thuringiensis and data processed with the CrystFEL software suite | Descriptor: | Pesticidal crystal protein cry3Aa | Authors: | Sawaya, M.R, Cascio, D, Gingery, M, Rodriguez, J, Goldschmidt, L, Colletier, J.-P, Messerschmidt, M, Boutet, S, Koglin, J.E, Williams, G.J, Brewster, A.S, Nass, K, Hattne, J, Botha, S, Doak, R.B, Shoeman, R.L, DePonte, D.P, Park, H.-W, Federici, B.A, Sauter, N.K, Schlichting, I, Eisenberg, D. | Deposit date: | 2014-07-17 | Release date: | 2014-08-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Protein crystal structure obtained at 2.9 angstrom resolution from injecting bacterial cells into an X-ray free-electron laser beam. Proc.Natl.Acad.Sci.USA, 111, 2014
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5CNG
| ultrafast dynamics in myoglobin: 150 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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3PCQ
| Femtosecond X-ray protein Nanocrystallography | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Chapman, H.N, Fromme, P, Barty, A, White, T.A, Kirian, R.A, Aquila, A, Hunter, M.S, Schulz, J, Deponte, D.P, Weierstall, U, Doak, R.B, Maia, F.R.N.C, Martin, A.V, Schlichting, I, Lomb, L, Coppola, N, Shoeman, R.L, Epp, S.W, Hartmann, R, Rolles, D, Rudenko, A, Foucar, L, Kimmel, N, Weidenspointner, G, Holl, P, Liang, M, Barthelmess, M, Caleman, C, Boutet, S, Bogan, M.J, Krzywinski, J, Bostedt, C, Bajt, S, Gumprecht, L, Rudek, B, Erk, B, Schmidt, C, Homke, A, Reich, C, Pietschner, D, Struder, L, Hauser, G, Gorke, H, Ullrich, J, Herrmann, S, Schaller, G, Schopper, F, Soltau, H, Kuhnel, K.-U, Messerschmidt, M, Bozek, J.D, Hau-Riege, S.P, Frank, M, Hampton, C.Y, Sierra, R, Starodub, D, Williams, G.J, Hajdu, J, Timneanu, N, Seibert, M.M, Andreasson, J, Rocker, A, Jonsson, O, Svenda, M, Stern, S, Nass, K, Andritschke, R, Schroter, C.-D, Krasniqi, F, Bott, M, Schmidt, K.E, Wang, X, Grotjohann, I, Holton, J.M, Barends, T.R.M, Neutze, R, Marchesini, S, Fromme, R, Schorb, S, Rupp, D, Adolph, M, Gorkhover, T, Andersson, I, Hirsemann, H, Potdevin, G, Graafsma, H, Nilsson, B, Spence, J.C.H. | Deposit date: | 2010-10-21 | Release date: | 2011-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (8.984 Å) | Cite: | Femtosecond X-ray protein nanocrystallography. Nature, 470, 2011
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6G7I
| Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 49-406 fs state structure | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ... | Authors: | Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J. | Deposit date: | 2018-04-06 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser. Science, 361, 2018
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6G7K
| Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 10 ps state structure | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ... | Authors: | Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J. | Deposit date: | 2018-04-06 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser. Science, 361, 2018
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6TK2
| Femtosecond to millisecond structural changes in a light-driven sodium pump: 1ms structure of KR2 with extrapolated, light and dark datasets | Descriptor: | EICOSANE, RETINAL, SODIUM ION, ... | Authors: | Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J. | Deposit date: | 2019-11-28 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Femtosecond-to-millisecond structural changes in a light-driven sodium pump. Nature, 583, 2020
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6TK1
| Femtosecond to millisecond structural changes in a light-driven sodium pump: 20ms structure of KR2 with extrapolated, light and dark datasets | Descriptor: | EICOSANE, RETINAL, SODIUM ION, ... | Authors: | Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J. | Deposit date: | 2019-11-28 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Femtosecond-to-millisecond structural changes in a light-driven sodium pump. Nature, 583, 2020
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