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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
6S0L
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BU of 6s0l by Molmil
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
6S0Q
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BU of 6s0q by Molmil
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
6YQN
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BU of 6yqn by Molmil
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
6YQP
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BU of 6yqp by Molmil
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
6YQO
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BU of 6yqo by Molmil
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
6S1E
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BU of 6s1e by Molmil
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
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
6FUF
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BU of 6fuf by Molmil
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
6ZWC
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BU of 6zwc by Molmil
Z-SBTub2 photoswitch bound to tubulin-DARPin D1 complex
Descriptor: 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wranik, M, Weinert, T, Olieric, N, Gao, L, Kraus, Y.C.M, Bingham, R, Ntouliou, E, Ahlfeld, J, Thorn-Seshold, O, Steinmetz, M.O, Standfuss, J.
Deposit date:2020-07-28
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:A Robust, GFP-Orthogonal Photoswitchable Inhibitor Scaffold Extends Optical Control over the Microtubule Cytoskeleton.
Cell Chem Biol, 28, 2021
6ZWB
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BU of 6zwb by Molmil
Z-SBTub3 photoswitch bound to tubulin-DARPin D1 complex
Descriptor: 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wranik, M, Weinert, T, Olieric, N, Gao, L, Kraus, Y.C.M, Bingham, R, Ntouliou, E, Ahlfeld, J, Thorn-Seshold, O, Steinmetz, M.O, Standfuss, J.
Deposit date:2020-07-28
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.747 Å)
Cite:A Robust, GFP-Orthogonal Photoswitchable Inhibitor Scaffold Extends Optical Control over the Microtubule Cytoskeleton.
Cell Chem Biol, 28, 2021
8C6C
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BU of 8c6c by Molmil
Light SFX structure of D.m(6-4)photolyase at 300ps time delay
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S.
Deposit date:2023-01-11
Release date:2023-11-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
8C6H
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BU of 8c6h by Molmil
Light SFX structure of D.m(6-4)photolyase at 2ps time delay
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S.
Deposit date:2023-01-11
Release date:2023-11-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
8C1U
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BU of 8c1u by Molmil
SFX structure of D.m(6-4)photolyase
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S.
Deposit date:2022-12-21
Release date:2023-11-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
8C69
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BU of 8c69 by Molmil
Light SFX structure of D.m(6-4)photolyase at 100 microsecond time delay
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S.
Deposit date:2023-01-11
Release date:2023-11-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
8C6A
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BU of 8c6a by Molmil
Light SFX structure of D.m(6-4)photolyase at 1ps time delay
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S.
Deposit date:2023-01-11
Release date:2023-11-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
8C6B
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BU of 8c6b by Molmil
Light SFX structure of D.m(6-4)photolyase at 20ps time delay
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S.
Deposit date:2023-01-11
Release date:2023-11-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
8C6F
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BU of 8c6f by Molmil
Light SFX structure of D.m(6-4)photolyase at 400fs time delay
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S.
Deposit date:2023-01-11
Release date:2023-11-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
8CLA
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BU of 8cla by Molmil
Z-SBTubA4 photoswitch bound to tubulin-DARPin D1 complex
Descriptor: 2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol, CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free electron lasers
To Be Published
7T26
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BU of 7t26 by Molmil
Structure of phage FBB1 anti-CBASS nuclease Acb1 in apo state
Descriptor: Acb1
Authors:Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J.
Deposit date:2021-12-03
Release date:2022-04-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
7T27
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BU of 7t27 by Molmil
Structure of phage FBB1 anti-CBASS nuclease Acb1-3'3'-cGAMP complex in post reaction state
Descriptor: Acb1, SULFATE ION, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphinic acid
Authors:Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J.
Deposit date:2021-12-03
Release date:2022-04-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022

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