8F4C
 
 | | RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.00 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K. | | Deposit date: | 2022-11-10 | | Release date: | 2023-03-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023
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8F4D
 | | RT XFEL structure of Photosystem II 50 microseconds after the third illumination at 2.15 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K. | | Deposit date: | 2022-11-10 | | Release date: | 2023-03-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023
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8F4K
 | | RT XFEL structure of the three-flash state of Photosystem II (3F, S0-rich) at 2.16 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K. | | Deposit date: | 2022-11-10 | | Release date: | 2023-03-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023
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8F4E
 | | RT XFEL structure of Photosystem II 250 microseconds after the third illumination at 2.09 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K. | | Deposit date: | 2022-11-10 | | Release date: | 2023-03-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023
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8F4G
 | | RT XFEL structure of Photosystem II 730 microseconds after the third illumination at 2.03 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K. | | Deposit date: | 2022-11-10 | | Release date: | 2023-03-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023
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8TT0
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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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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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8TSY
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8TT2
 | | Pseudomonas fluorescens isocyanide hydratase pH=5.4 | | 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 (1.33 Å) | | Cite: | Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
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8TSZ
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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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8VQ1
 | | Pseudomonas fluorescens G150T isocyanide hydratase at 298 K XFEL data, thioimidate intermediate | | Descriptor: | CHLORIDE ION, Isonitrile hydratase InhA, N-(4-nitrophenyl)methanimine | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2024-01-17 | | Release date: | 2024-02-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
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8VPW
 | | Pseudomonas fluorescens G150T isocyanide hydratase at 298 K XFEL data, free enzyme | | Descriptor: | CHLORIDE ION, Isonitrile hydratase InhA | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2024-01-17 | | Release date: | 2024-02-21 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
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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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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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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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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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