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1GNM
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BU of 1gnm by Molmil
HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASP (V82D) COMPLEXED WITH U89360E (INHIBITOR)
Descriptor: HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
Authors:Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J.
Deposit date:1996-05-04
Release date:1996-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases.
Biochemistry, 35, 1996
4X32
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BU of 4x32 by Molmil
Bacteriorhodopsin ground state structure collected in cryo conditions from crystals obtained in LCP with PEG as a precipitant.
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
Authors:Nogly, P, Standfuss, J.
Deposit date:2014-11-27
Release date:2015-02-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Lipidic cubic phase serial millisecond crystallography using synchrotron radiation.
Iucrj, 2, 2015
6TK3
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BU of 6tk3 by Molmil
Femtosecond to millisecond structural changes in a light-driven sodium pump: 30us+150us structure of KR2 with extrapolated, light and dark datasets
Descriptor: EICOSANE, RETINAL, Sodium pumping rhodopsin
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 (2.25 Å)
Cite:Femtosecond-to-millisecond structural changes in a light-driven sodium pump.
Nature, 583, 2020
6TK2
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BU of 6tk2 by Molmil
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
6TK7
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BU of 6tk7 by Molmil
Femtosecond to millisecond structural changes in a light-driven sodium pump: Dark structure in acidic conditions
Descriptor: EICOSANE, RETINAL, Sodium pumping rhodopsin
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 (1.6 Å)
Cite:Femtosecond-to-millisecond structural changes in a light-driven sodium pump.
Nature, 583, 2020
6TK1
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BU of 6tk1 by Molmil
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
6TK5
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BU of 6tk5 by Molmil
Femtosecond to millisecond structural changes in a light-driven sodium pump: 800fs+2ps structure of KR2 with extrapolated, light and dark datasets
Descriptor: EICOSANE, RETINAL, Sodium pumping rhodopsin
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 (2.25 Å)
Cite:Femtosecond-to-millisecond structural changes in a light-driven sodium pump.
Nature, 583, 2020
1FKN
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BU of 1fkn by Molmil
Structure of Beta-Secretase Complexed with Inhibitor
Descriptor: MEMAPSIN 2, inhibitor
Authors:Hong, L, Koelsch, G, Lin, X, Wu, S, Terzyan, S, Ghosh, A, Zhang, X.C, Tang, J.
Deposit date:2000-08-09
Release date:2000-10-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the protease domain of memapsin 2 (beta-secretase) complexed with inhibitor.
Science, 290, 2000
1FB7
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BU of 1fb7 by Molmil
CRYSTAL STRUCTURE OF AN IN VIVO HIV-1 PROTEASE MUTANT IN COMPLEX WITH SAQUINAVIR: INSIGHTS INTO THE MECHANISMS OF DRUG RESISTANCE
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, HIV-1 PROTEASE
Authors:Hong, L, Zhang, X.C, Hartsuck, J.A, Tang, J.
Deposit date:2000-07-14
Release date:2000-12-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of an in vivo HIV-1 protease mutant in complex with saquinavir: insights into the mechanisms of drug resistance.
Protein Sci., 9, 2000
6G7J
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BU of 6g7j by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 457-646 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
4YA8
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BU of 4ya8 by Molmil
structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor PG394
Descriptor: GLYCEROL, N'-[(2S,3S)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-N,N-dipropyl-5-(pyridin-1(2H)-yl)benzene-1,3-dicarboxamide, Plasmepsin-2
Authors:Recacha, R, Leitans, J, Tars, K, Jaudzems, K.
Deposit date:2015-02-17
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:Structures of plasmepsin II from Plasmodium falciparum in complex with two hydroxyethylamine-based inhibitors.
Acta Crystallogr.,Sect.F, 71, 2015
4Z22
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BU of 4z22 by Molmil
structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor DR718A
Descriptor: 2-amino-7-phenyl-3-{[(2R,5S)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3H)-one, Plasmepsin-2
Authors:Recacha, R, Leitans, J, Tars, K, Jaudzems, K.
Deposit date:2015-03-28
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Fragment-Based Discovery of 2-Aminoquinazolin-4(3H)-ones As Novel Class Nonpeptidomimetic Inhibitors of the Plasmepsins I, II, and IV.
J.Med.Chem., 59, 2016
6G7K
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BU of 6g7k by Molmil
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
6G7I
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BU of 6g7i by Molmil
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
6G7L
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BU of 6g7l by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 8.3 ms 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
6G7H
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BU of 6g7h by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: resting 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 (1.5 Å)
Cite:Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
8PK3
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BU of 8pk3 by Molmil
CryoEM reconstruction of hemagglutinin HK68 of Influenza A virus bound to an Affimer reagent
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Affimer molecule (A31), ...
Authors:Debski-Antoniak, O, Flynn, A, Klebl, D.P, Tiede, C, Muench, S, Tomlinson, D, Fontana, J.
Deposit date:2023-06-24
Release date:2024-01-03
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Exploiting the Affimer platform against influenza A virus
To Be Published
6RQP
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BU of 6rqp by Molmil
Steady-state-SMX dark state structure of bacteriorhodopsin
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:Weinert, T, Skopintsev, P, James, D, Kekilli, D, Furrer, A, Bruenle, S, Mous, S, Nogly, P, Standfuss, J.
Deposit date:2019-05-16
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography.
Science, 365, 2019
6RNJ
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BU of 6rnj by Molmil
TR-SMX closed state structure (0-5ms) of bacteriorhodopsin
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Weinert, T, Skopintsev, P, James, D, Kekilli, D, Furrer, F, Bruenle, S, Mous, S, Nogly, P, Standfuss, J.
Deposit date:2019-05-08
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography.
Science, 365, 2019
7A8U
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BU of 7a8u by Molmil
Crystal structure of sarcomeric protein FATZ-1 (d91-FATZ-1 construct) in complex with rod domain of alpha-actinin-2
Descriptor: Alpha-actinin-2, Myozenin-1
Authors:Sponga, A, Arolas, J.L, Rodriguez Chamorro, A, Mlynek, G, Hollerl, E, Schreiner, C, Pedron, M, Kostan, J, Ribeiro, E.A, Djinovic-Carugo, K.
Deposit date:2020-08-31
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.802 Å)
Cite:Order from disorder in the sarcomere: FATZ forms a fuzzy but tight complex and phase-separated condensates with alpha-actinin.
Sci Adv, 7, 2021
6RQO
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BU of 6rqo by Molmil
Steady-state-SMX activated state structure of bacteriorhodopsin
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Weinert, T, Skopintsev, P, James, D, Kekilli, D, Furrer, A, Bruenle, S, Mous, S, Nogly, P, Standfuss, J.
Deposit date:2019-05-16
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography.
Science, 365, 2019
7A8T
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BU of 7a8t by Molmil
Crystal structure of sarcomeric protein FATZ-1 (mini-FATZ-1 construct) in complex with rod domain of alpha-actinin-2
Descriptor: Alpha-actinin-2, Myozenin-1
Authors:Sponga, A, Arolas, J.L, Rodriguez Chamorro, A, Mlynek, G, Hollerl, E, Schreiner, C, Pedron, M, Kostan, J, Ribeiro, E.A, Djinovic-Carugo, K.
Deposit date:2020-08-31
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Order from disorder in the sarcomere: FATZ forms a fuzzy but tight complex and phase-separated condensates with alpha-actinin.
Sci Adv, 7, 2021
6S19
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BU of 6s19 by Molmil
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
6S1D
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BU of 6s1d by Molmil
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
6S1G
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BU of 6s1g by Molmil
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

223790

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