7O8Y
| Anomalous bromide substructure of NmHR under dark state conditions determined at 13.7 keV with serial crystallography | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BROMIDE ION, Chloride pumping rhodopsin, ... | Authors: | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | Deposit date: | 2021-04-15 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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7O8J
| NmHR light state structure at 20 us after photoexcitation determined by serial femtosecond crystallography (with extrapolated, dark and light dataset) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ... | Authors: | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | Deposit date: | 2021-04-15 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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7O8L
| NmHR dark state structure determined by serial millisecond crystallography | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ... | Authors: | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | Deposit date: | 2021-04-15 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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7O8R
| NmHR light state structure at 27.5 ms (25 - 30 ms) after photoexcitation determined by serial millisecond crystallography | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ... | Authors: | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | Deposit date: | 2021-04-15 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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7O8V
| NmHR light state structure at 55 ms (50 - 60 ms) after photoexcitation determined by serial millisecond crystallography | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ... | Authors: | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | Deposit date: | 2021-04-15 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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7O8G
| NmHR light state structure at 10 ps after photoexcitation determined by serial femtosecond crystallography (with extrapolated, dark and light dataset) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ... | Authors: | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | Deposit date: | 2021-04-15 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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7O8O
| NmHR light state structure at 12.5 ms (10 - 15 ms) after photoexcitation determined by serial millisecond crystallography | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | Deposit date: | 2021-04-15 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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7O8U
| NmHR light state structure at 45 ms (40 - 50 ms) after photoexcitation determined by serial millisecond crystallography | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ... | Authors: | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | Deposit date: | 2021-04-15 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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4CCU
| Structure of the Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy) pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol | Descriptor: | 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2013-10-28 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib. J.Med.Chem., 57, 2014
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4CCB
| Structure of the Human Anaplastic Lymphoma Kinase in Complex with 3-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)-5-(5-methyl-1H- pyrazol-4-yl)pyridin-2-amine | Descriptor: | 3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2013-10-21 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib. J.Med.Chem., 57, 2014
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4CD0
| Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2- yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propane-1,2-diol | Descriptor: | (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2013-10-29 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib. J.Med.Chem., 57, 2014
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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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6TK3
| 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
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6TK7
| 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
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6TK5
| 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
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6TK4
| Femtosecond to millisecond structural changes in a light-driven sodium pump: 1ns+16ns 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
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6TK6
| Femtosecond to millisecond structural changes in a light-driven sodium pump: Dark structure in neutral conditions with attached light datasets at 800fs, 2ps, 100ps, 1ns, 16ns, 1us, 30us, 150us, 1ms and 20ms | 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
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7YYW
| Molecular snapshots of drug release from tubulin: 10 nanoseconds after photoactivation. | Descriptor: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | Authors: | Wranik, M, Weinert, T, Standfuss, J. | Deposit date: | 2022-02-18 | Release date: | 2023-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YZ5
| Molecular snapshots of drug release from tubulin: 100 milliseconds (steady state) | Descriptor: | CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wranik, M, Weinert, T, Standfuss, J. | Deposit date: | 2022-02-18 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YYV
| Molecular snapshots of drug release from tubulin: 1 nanosecond after photoactivation. | Descriptor: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | Authors: | Wranik, M, Weinert, T, Standfuss, J. | Deposit date: | 2022-02-18 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YZ2
| Molecular snapshots of drug release from tubulin: 10 milliseconds after photoactivation. | Descriptor: | Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Wranik, M, Weinert, T, Standfuss, J. | Deposit date: | 2022-02-18 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YYZ
| Molecular snapshots of drug release from tubulin: 10 microseconds after photoactivation. | Descriptor: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | Authors: | Wranik, M, Weinert, T, Standfuss, J. | Deposit date: | 2022-02-18 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YZ6
| Molecular snapshots of drug release from tubulin: Dark (steady state) | Descriptor: | Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | Authors: | Wranik, M, Weinert, T, Standfuss, J. | Deposit date: | 2022-02-18 | Release date: | 2023-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YZ1
| Molecular snapshots of drug release from tubulin: 1 millisecond after photoactivation. | Descriptor: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | Authors: | Wranik, M, Weinert, T, Standfuss, J. | Deposit date: | 2022-02-18 | Release date: | 2023-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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