6TK1
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![BU of 6tk1 by Molmil](/molmil-images/mine/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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6TK5
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![BU of 6tk5 by Molmil](/molmil-images/mine/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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8CL7
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![BU of 8cl7 by Molmil](/molmil-images/mine/8cl7) | Krokinobacter eikastus rhodopsin 2 (KR2) in dark state | Descriptor: | EICOSANE, RETINAL, Sodium pumping rhodopsin | Authors: | Bertrand, Q, Wranik, M, Kepa, M.W, Weinert, T, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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8CLE
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![BU of 8cle by Molmil](/molmil-images/mine/8cle) | Vinblastine bound to tubulin (T2R-TTL) complex | Descriptor: | (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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8CL8
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![BU of 8cl8 by Molmil](/molmil-images/mine/8cl8) | Krokinobacter eikastus rhodopsin 2 (KR2) extrapolated map 1us after light activation | Descriptor: | EICOSANE, RETINAL, Sodium pumping rhodopsin | Authors: | Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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8CLB
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![BU of 8clb by Molmil](/molmil-images/mine/8clb) | Colchicine bound to tubulin (T2R-TTL) complex | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Wranik, M, Kepa, M.W, Bertrand, Q, Weinert, T, Steinmetz, M, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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8CL6
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![BU of 8cl6 by Molmil](/molmil-images/mine/8cl6) | Lysozyme in matrix of hydroxyethylcellulose (HEC) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LYSOZYME, ... | Authors: | Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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8CLH
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![BU of 8clh by Molmil](/molmil-images/mine/8clh) | Drug cocktail (Colchicine, Epothilone A, Peloruside, Ansamitocin P3, Vinblastine) bound to tubulin (T2R-TTL) complex | Descriptor: | (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate, (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, CALCIUM ION, ... | Authors: | Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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8CLF
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![BU of 8clf by Molmil](/molmil-images/mine/8clf) | Z-SolQ2Br bound to tubulin (T2R-TTL) complex | Descriptor: | 5-[[4-(2-bromoethyl)-3,5-dimethoxy-phenyl]diazenyl]-2-methoxy-phenol, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wranik, M, Bertrand, Q, Kepa, M, Weinert, T, Steinmetz, M, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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8CLD
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![BU of 8cld by Molmil](/molmil-images/mine/8cld) | Ansamitocin P3 bound to tubulin (T2R-TTL) complex | Descriptor: | (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate, CALCIUM ION, Detyrosinated tubulin alpha-1B chain, ... | Authors: | Wranik, M, Kepa, M.W, Bertrand, Q, Weinert, T, Steinmetz, M, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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8CL5
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![BU of 8cl5 by Molmil](/molmil-images/mine/8cl5) | Lysozyme in matrix of lipidic cubic phase of monoolein (LCP) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LYSOZYME, ... | Authors: | Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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8CLC
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![BU of 8clc by Molmil](/molmil-images/mine/8clc) | Tubulin (T2R-TTL) complex | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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8CL9
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![BU of 8cl9 by Molmil](/molmil-images/mine/8cl9) | Tubulin-DARPin D1 complex | Descriptor: | DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN) D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wranik, M, Bertrand, Q, Weinert, T, Kepa, M.W, Steinmetz, M, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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8CLG
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![BU of 8clg by Molmil](/molmil-images/mine/8clg) | Epothilone A and Colchicine bound to tubulin (T2R-TTL) complex | Descriptor: | CALCIUM ION, EPOTHILONE A, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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6S0L
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![BU of 6s0l by Molmil](/molmil-images/mine/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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6S19
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![BU of 6s19 by Molmil](/molmil-images/mine/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
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![BU of 6s1d by Molmil](/molmil-images/mine/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
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![BU of 6s1g by Molmil](/molmil-images/mine/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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6S0Q
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![BU of 6s0q by Molmil](/molmil-images/mine/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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6S1E
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![BU of 6s1e by Molmil](/molmil-images/mine/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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6TK3
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![BU of 6tk3 by Molmil](/molmil-images/mine/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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6YQN
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![BU of 6yqn by Molmil](/molmil-images/mine/6yqn) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW9 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-17 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma. Int.J.Cancer, 147, 2020
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6YQP
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![BU of 6yqp by Molmil](/molmil-images/mine/6yqp) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW22 | Descriptor: | (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-17 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma. Int.J.Cancer, 147, 2020
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6YQO
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![BU of 6yqo by Molmil](/molmil-images/mine/6yqo) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW12 | Descriptor: | (S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-17 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma. Int.J.Cancer, 147, 2020
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6FUF
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![BU of 6fuf by Molmil](/molmil-images/mine/6fuf) | Crystal structure of the rhodopsin-mini-Go complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(o) subunit alpha, RETINAL, ... | Authors: | Tsai, C.-J, Weinert, T, Muehle, J, Pamula, F, Nehme, R, Flock, T, Nogly, P, Edwards, P.C, Carpenter, B, Gruhl, T, Ma, P, Deupi, X, Standfuss, J, Tate, C.G, Schertler, G.F.X. | Deposit date: | 2018-02-27 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.117 Å) | Cite: | Crystal structure of rhodopsin in complex with a mini-Gosheds light on the principles of G protein selectivity. Sci Adv, 4, 2018
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