8TT4
 
 | | Pseudomonas fluorescens isocyanide hydratase pH=6.0 | | Descriptor: | 1,2-ETHANEDIOL, Isonitrile hydratase InhA | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2023-08-12 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
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8TT0
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8TT5
 | | Pseudomonas fluorescens isocyanide hydratase pH=8.3 | | Descriptor: | 1,2-ETHANEDIOL, Isonitrile hydratase InhA | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2023-08-12 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
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8TSU
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8TSX
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8TT1
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8TDQ
 | | SFX-XFEL structure of CYP121 cocrystallized with substrate cYY | | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | | Deposit date: | 2023-07-04 | | Release date: | 2023-11-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
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8TDP
 | | Time-resolved SFX-XFEL crystal structure of CYP121 bound with cYY reacted with peracetic acid for 200 milliseconds | | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, HYDROGEN PEROXIDE, Mycocyclosin synthase, ... | | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | | Deposit date: | 2023-07-04 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
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7LDO
 | | G150T Pseudomonas fluorescens isocyanide hydratase (G150T-3) at 274K, Phenix-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-13 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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7L9S
 | | Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-2) at 274K, Refmac5-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-04 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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7L9W
 | | Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-3) at 274K, Refmac5-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-05 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.199 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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7LA0
 | | Pseudomonas fluorescens G150A isocyanide hydratase (G150A-2) at 274K, Refmac5-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-05 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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7LD6
 | | G150A Pseudomonas fluorescens isocyanide hydratase (G150A-1) at 274K, Phenix-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-12 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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7L9Q
 | | Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-1) at 274K, Refmac5-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-04 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.149 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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7L9Z
 | | Pseudomonas fluorescens G150A isocyanide hydratase (G150A-1) at 274K, Refmac5-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-05 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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7LA3
 | | Pseudomonas fluorescens G150A isocyanide hydratase (G150A-3) at 274K, Refmac5-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-05 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.349 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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7LAV
 | | Pseudomonas fluorescens G150T isocyanide hydratase (G150T-1) at 274K, Refmac5-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-06 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.149 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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7LAX
 | | Pseudomonas fluorescens G150T isocyanide hydratase (G150T-2) at 274K, Refmac5-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-07 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.198 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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7LB9
 | | Pseudomonas fluorescens G150T isocyanide hydratase (G150T-3) at 274K, Refmac5-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-07 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.101 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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7LBI
 | | Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-2) at 274K, PHENIX-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-08 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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7LD7
 | | G150A Pseudomonas fluorescens isocyanide hydratase (G150A-2) at 274K, Phenix-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-12 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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7LDI
 | | G150T Pseudomonas fluorescens isocyanide hydratase (G150T-2) at 274K, Phenix-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-13 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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7LDM
 | | G150T Pseudomonas fluorescens isocyanide hydratase (G150T-1) at 274K, Phenix-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-13 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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7LBH
 | | Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-1) at 274K, PHENIX-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-08 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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7LCX
 | | Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-3) at 274K, Phenix-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-12 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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