6TK2
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![BU of 6tk2 by Molmil](/molmil-images/mine/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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6TK7
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![BU of 6tk7 by Molmil](/molmil-images/mine/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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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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6NM3
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![BU of 6nm3 by Molmil](/molmil-images/mine/6nm3) | NMR structure of WW295 | Descriptor: | WW295 peptide | Authors: | Wang, G, Zarena, D. | Deposit date: | 2019-01-10 | Release date: | 2020-07-15 | Last modified: | 2020-09-09 | Method: | SOLUTION NMR | Cite: | Two distinct amphipathic peptide antibiotics with systemic efficacy. Proc.Natl.Acad.Sci.USA, 117, 2020
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6RMK
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![BU of 6rmk by Molmil](/molmil-images/mine/6rmk) | Bacteriorhodopsin, dark state, cell 2, refined using the same protocol as sub-ps time delays | Descriptor: | Bacteriorhodopsin, RETINAL | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I. | Deposit date: | 2019-05-07 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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7P8K
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![BU of 7p8k by Molmil](/molmil-images/mine/7p8k) | Crystal structure of in planta processed AvrRps4 in complex with the WRKY domain of RRS1 | Descriptor: | Avirulence protein,Avirulence protein, Disease resistance protein RRS1, ZINC ION | Authors: | Mukhi, N, Brown, H, Gorenkin, D, Ding, P, Bentham, A.R, Jones, J.D.G, Banfield, M.J. | Deposit date: | 2021-07-23 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Perception of structurally distinct effectors by the integrated WRKY domain of a plant immune receptor. Proc.Natl.Acad.Sci.USA, 118, 2021
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7PBU
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![BU of 7pbu by Molmil](/molmil-images/mine/7pbu) | RuvAB branch migration motor complexed to the Holliday junction - RuvA-HJ core [t2 dataset] | Descriptor: | Holliday junction, Holliday junction ATP-dependent DNA helicase RuvA | Authors: | Goessweiner-Mohr, N, Fahrenkamp, D, Wald, J, Marlovits, T.C. | Deposit date: | 2021-08-02 | Release date: | 2022-09-14 | Last modified: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration. Nature, 609, 2022
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7PBT
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![BU of 7pbt by Molmil](/molmil-images/mine/7pbt) | RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s1 [t1 dataset] | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvA, Holliday junction ATP-dependent DNA helicase RuvB, ... | Authors: | Wald, J, Fahrenkamp, D, Goessweiner-Mohr, N, Marlovits, T.C. | Deposit date: | 2021-08-02 | Release date: | 2022-09-14 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration. Nature, 609, 2022
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7PBQ
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![BU of 7pbq by Molmil](/molmil-images/mine/7pbq) | RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s0+A [t2 dataset] | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvA, Holliday junction ATP-dependent DNA helicase RuvB, ... | Authors: | Goessweiner-Mohr, N, Fahrenkamp, D, Wald, J, Marlovits, T.C. | Deposit date: | 2021-08-02 | Release date: | 2022-09-14 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration. Nature, 609, 2022
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7PBS
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![BU of 7pbs by Molmil](/molmil-images/mine/7pbs) | RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s0+A [t1 dataset] | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvA, Holliday junction ATP-dependent DNA helicase RuvB, ... | Authors: | Goessweiner-Mohr, N, Fahrenkamp, D, Wald, J, Marlovits, T.C. | Deposit date: | 2021-08-02 | Release date: | 2022-09-14 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration. Nature, 609, 2022
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7PBR
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![BU of 7pbr by Molmil](/molmil-images/mine/7pbr) | RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s0-A [t2 dataset] | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvB, MAGNESIUM ION, ... | Authors: | Goessweiner-Mohr, N, Fahrenkamp, D, Wald, J, Marlovits, T.C. | Deposit date: | 2021-08-02 | Release date: | 2022-09-14 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration. Nature, 609, 2022
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6GA3
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![BU of 6ga3 by Molmil](/molmil-images/mine/6ga3) | Bacteriorhodopsin, 33 ms state, ensemble refinement | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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6GAC
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![BU of 6gac by Molmil](/molmil-images/mine/6gac) | BACTERIORHODOPSIN, 490 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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6GA5
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![BU of 6ga5 by Molmil](/molmil-images/mine/6ga5) | Bacteriorhodopsin, 3 ps state, REAL-SPACE REFINEMED AGAINST 10% EXTRAPOLATED MAP | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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6GAF
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![BU of 6gaf by Molmil](/molmil-images/mine/6gaf) | BACTERIORHODOPSIN, 590 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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7AGX
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![BU of 7agx by Molmil](/molmil-images/mine/7agx) | Apo-state type 3 secretion system export apparatus complex from Salmonella enterica typhimurium | Descriptor: | Protein PrgI, Protein PrgJ, Surface presentation of antigens protein SpaP, ... | Authors: | Goessweiner-Mohr, N, Fahrenkamp, D, Miletic, S, Wald, J, Marlovits, T. | Deposit date: | 2020-09-23 | Release date: | 2021-03-17 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Substrate-engaged type III secretion system structures reveal gating mechanism for unfolded protein translocation. Nat Commun, 12, 2021
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4D0W
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![BU of 4d0w by Molmil](/molmil-images/mine/4d0w) | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | Descriptor: | 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | Deposit date: | 2014-04-30 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4D1S
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![BU of 4d1s by Molmil](/molmil-images/mine/4d1s) | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | Descriptor: | 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | Deposit date: | 2014-05-05 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4D0X
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![BU of 4d0x by Molmil](/molmil-images/mine/4d0x) | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | Descriptor: | 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Canevari, G, Fasolini, M, Bertrand, J, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | Deposit date: | 2014-04-30 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
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1E3Y
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![BU of 1e3y by Molmil](/molmil-images/mine/1e3y) | |
6QSO
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![BU of 6qso by Molmil](/molmil-images/mine/6qso) | |
1E41
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![BU of 1e41 by Molmil](/molmil-images/mine/1e41) | |
6QSL
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![BU of 6qsl by Molmil](/molmil-images/mine/6qsl) | |
6QSM
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8A9N
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![BU of 8a9n by Molmil](/molmil-images/mine/8a9n) | Structure of DpA polyamine acetyltransferase in complex with 1,3-DAP | Descriptor: | 1,3-DIAMINOPROPANE, Acetyltransferase, COENZYME A, ... | Authors: | Garcia-Pino, A, Jurenas, D. | Deposit date: | 2022-06-28 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | A polyamine acetyltransferase regulates the motility and biofilm formation of Acinetobacter baumannii. Nat Commun, 14, 2023
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