4QX2
 
 | | Cry3A Toxin structure obtained by injecting Bacillus thuringiensis cells in an XFEL beam, collecting data by serial femtosecond crystallographic methods and processing data with the cctbx.xfel software suite | | Descriptor: | Pesticidal crystal protein cry3Aa | | Authors: | Sawaya, M.R, Cascio, D, Gingery, M, Rodriguez, J, Goldschmidt, L, Colletier, J.-P, Messerschmidt, M, Boutet, S, Koglin, J.E, Williams, G.J, Brewster, A.S, Nass, K, Hattne, J, Botha, S, Doak, R.B, Shoeman, R.L, DePonte, D.P, Park, H.-W, Federici, B.A, Sauter, N.K, Schlichting, I, Eisenberg, D. | | Deposit date: | 2014-07-17 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Protein crystal structure obtained at 2.9 angstrom resolution from injecting bacterial cells into an X-ray free-electron laser beam.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4QX1
 | | Cry3A Toxin structure obtained by Serial Femtosecond Crystallography from in vivo grown crystals isolated from Bacillus thuringiensis and data processed with the CrystFEL software suite | | Descriptor: | Pesticidal crystal protein cry3Aa | | Authors: | Sawaya, M.R, Cascio, D, Gingery, M, Rodriguez, J, Goldschmidt, L, Colletier, J.-P, Messerschmidt, M, Boutet, S, Koglin, J.E, Williams, G.J, Brewster, A.S, Nass, K, Hattne, J, Botha, S, Doak, R.B, Shoeman, R.L, DePonte, D.P, Park, H.-W, Federici, B.A, Sauter, N.K, Schlichting, I, Eisenberg, D. | | Deposit date: | 2014-07-17 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Protein crystal structure obtained at 2.9 angstrom resolution from injecting bacterial cells into an X-ray free-electron laser beam.
Proc.Natl.Acad.Sci.USA, 111, 2014
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7NSL
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6FTR
 | | Serial Femtosecond Crystallography at Megahertz pulse rates | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N. | | Deposit date: | 2018-02-23 | | Release date: | 2018-10-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.76000106 Å) | | Cite: | Megahertz serial crystallography.
Nat Commun, 9, 2018
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6GTH
 | | Serial Femtosecond Crystallography at Megahertz pulse rates | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H. | | Deposit date: | 2018-06-18 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Megahertz serial crystallography.
Nat Commun, 9, 2018
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6GX3
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 1 | | Descriptor: | 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-06-26 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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3MOR
 | | Crystal structure of Cathepsin B from Trypanosoma Brucei | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ... | | Authors: | Cupelli, K, Stehle, T. | | Deposit date: | 2010-04-23 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | In vivo protein crystallization opens new routes in structural biology.
Nat.Methods, 9, 2012
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6GXA
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 2 | | Descriptor: | (~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-06-27 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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6GXW
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 4 | | Descriptor: | (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-06-27 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.071 Å) | | Cite: | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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7TUM
 | | Multi-Hit SFX using MHz XFEL sources- first hit | | Descriptor: | 1,2-ETHANEDIOL, Lysozyme C, SODIUM ION | | Authors: | Darmanin, C, Holmes, S, Abbey, B. | | Deposit date: | 2022-02-03 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.202 Å) | | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
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6GXU
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 3 | | Descriptor: | (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-06-27 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.917 Å) | | Cite: | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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6B5X
 | | Beta-Lactamase, unmixed shards crystal form | | Descriptor: | Beta-lactamase, PHOSPHATE ION | | Authors: | Pandey, S. | | Deposit date: | 2017-09-29 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
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7QLI
 | | Cis structure of rsKiiro at 290 K | | Descriptor: | GLYCEROL, SULFATE ION, rsKiiro | | Authors: | van Thor, J.J, Baxter, J.M. | | Deposit date: | 2021-12-20 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.155 Å) | | Cite: | Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023
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7QLK
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7QLL
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7QLJ
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6U57
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7AQ1
 | | Crystal structure of human mature meprin beta in complex with the specific inhibitor MWT-S-270 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Linnert, M, Parthier, C, Fritz, C. | | Deposit date: | 2020-10-20 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.413 Å) | | Cite: | Structure and Dynamics of Meprin beta in Complex with a Hydroxamate-Based Inhibitor.
Int J Mol Sci, 22, 2021
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5K5B
 | | Wild-type PAS-GAF fragment from Deinococcus radiodurans BphP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ... | | Authors: | Takala, H, Edlund, P, Claesson, E, Ihalainen, J.A, Westenhoff, S. | | Deposit date: | 2016-05-23 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
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7QLM
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7QLO
 | | rsKiiro pump dump probe structure by TR-SFX | | Descriptor: | rsKiiro | | Authors: | van Thor, J.J. | | Deposit date: | 2021-12-20 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023
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7QLN
 | | rsKiiro pump probe structure by TR-SFX | | Descriptor: | rsKiiro | | Authors: | van Thor, J.J. | | Deposit date: | 2021-12-20 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023
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5FUE
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6RFU
 | | In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of ATP and GMP as genuine co-factors | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase | | Authors: | Nass, K, Redecke, L, Perbandt, M, Yefanov, O, Gabdulkhakov, A, Duszenko, M, Chapman, H.N, Betzel, C. | | Deposit date: | 2019-04-16 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors.
Nat Commun, 11, 2020
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5TUD
 | | Structural Insights into the Extracellular Recognition of the Human Serotonin 2B Receptor by an Antibody | | Descriptor: | 5-hydroxytryptamine receptor 2B,Soluble cytochrome b562 chimera, Anti-5-HT2B Fab heavy chain, Anti-5-HT2B Fab light chain, ... | | Authors: | Ishchenko, A, Wacker, D, Kapoor, M, Zhang, A, Han, G.W, Basu, S, Boutet, S, James, D, Wang, D, Weierstall, U, Liu, W, Katritch, V, Stevens, R.C, Cherezov, V. | | Deposit date: | 2016-11-05 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural insights into the extracellular recognition of the human serotonin 2B receptor by an antibody.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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