8BT4
 
 | | Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, radical-lost ground state | | Descriptor: | CALCIUM ION, GLYCEROL, Ribonucleoside-diphosphate reductase | | Authors: | Lebrette, H, Srinivas, V, Hogbom, M. | | Deposit date: | 2022-11-27 | | Release date: | 2023-11-01 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure of a ribonucleotide reductase R2 protein radical.
Science, 382, 2023
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8GCT
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8GCS
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8GCV
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8GCX
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6YD0
 | | XFEL structure of the Soluble methane monooxygenase hydroxylase and regulatory subunit complex, from Methylosinus trichosporium OB3b, diferric state | | Descriptor: | FE (III) ION, GLYCEROL, Methane monooxygenase, ... | | Authors: | Srinivas, V, Hogbom, M. | | Deposit date: | 2020-03-19 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | High-Resolution XFEL Structure of the Soluble Methane Monooxygenase Hydroxylase Complex with its Regulatory Component at Ambient Temperature in Two Oxidation States.
J. Am. Chem. Soc., 142, 2020
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6YDU
 | | XFEL structure of the Soluble methane monooxygenase hydroxylase and regulatory subunit complex, from Methylosinus trichosporium OB3b, reoxidized diferric state, 10s O2 exposure. | | Descriptor: | FE (III) ION, GLYCEROL, Methane monooxygenase, ... | | Authors: | Srinivas, V, Hogbom, M. | | Deposit date: | 2020-03-21 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | High-Resolution XFEL Structure of the Soluble Methane Monooxygenase Hydroxylase Complex with its Regulatory Component at Ambient Temperature in Two Oxidation States.
J. Am. Chem. Soc., 142, 2020
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6YDI
 | | XFEL structure of the Soluble methane monooxygenase hydroxylase and regulatory subunit complex, from Methylosinus trichosporium OB3b, diferrous state | | Descriptor: | FE (II) ION, GLYCEROL, Methane monooxygenase, ... | | Authors: | Srinivas, V, Hogbom, M. | | Deposit date: | 2020-03-20 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | High-Resolution XFEL Structure of the Soluble Methane Monooxygenase Hydroxylase Complex with its Regulatory Component at Ambient Temperature in Two Oxidation States.
J. Am. Chem. Soc., 142, 2020
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6Y0P
 | | isopenicillin N synthase in complex with IPN and Fe using FT-SSX methods | | Descriptor: | FE (III) ION, ISOPENICILLIN N, Isopenicillin N synthase, ... | | Authors: | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | | Deposit date: | 2020-02-10 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
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7M78
 | | Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J. | | Deposit date: | 2021-03-26 | | Release date: | 2021-11-24 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.
Sci Rep, 11, 2021
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7M75
 | | Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J. | | Deposit date: | 2021-03-26 | | Release date: | 2021-11-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.
Sci Rep, 11, 2021
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7M76
 | | Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J. | | Deposit date: | 2021-03-26 | | Release date: | 2021-11-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.
Sci Rep, 11, 2021
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7K9P
 | | Room temperature structure of NSP15 Endoribonuclease from SARS CoV-2 solved using SFX. | | Descriptor: | CITRIC ACID, Uridylate-specific endoribonuclease | | Authors: | Botha, S, Jernigan, R, Chen, J, Coleman, M.A, Frank, M, Grant, T.D, Hansen, D.T, Ketawala, G, Logeswaran, D, Martin-Garcia, J, Nagaratnam, N, Raj, A.L.L.X, Shelby, M, Yang, J.-H, Yung, M.C, Fromme, P. | | Deposit date: | 2020-09-29 | | Release date: | 2020-10-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Room-temperature structural studies of SARS-CoV-2 protein NendoU with an X-ray free-electron laser.
Structure, 2022
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7M8W
 | | XFEL crystal structure of the prostaglandin D2 receptor CRTH2 in complex with 15R-methyl-PGD2 | | Descriptor: | 15R-methyl-prostaglandin D2, CITRATE ANION, Prostaglandin D2 receptor 2, ... | | Authors: | Shiriaeva, A, Han, G.W, Cherezov, V. | | Deposit date: | 2021-03-30 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Molecular basis for lipid recognition by the prostaglandin D 2 receptor CRTH2.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8RJQ
 | | Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in I3 intermediate state. | | Descriptor: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Sauthof, L, Schmidt, A, Szczepek, M, Brewster, A.S, Kern, J.F, Scheerer, P. | | Deposit date: | 2023-12-21 | | Release date: | 2025-05-14 | | Last modified: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes.
Sci Adv, 11, 2025
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8RJP
 | | Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in I2 intermediate state. | | Descriptor: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sauthof, L, Schmidt, A, Szczepek, M, Brewster, A.S, Kern, J.F, Scheerer, P. | | Deposit date: | 2023-12-21 | | Release date: | 2025-05-14 | | Last modified: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes.
Sci Adv, 11, 2025
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8RJN
 | | Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in its Pfr state (I0b). | | Descriptor: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, SULFATE ION, histidine kinase | | Authors: | Sauthof, L, Schmidt, A, Szczepek, M, Brewster, A.S, Kern, J.F, Scheerer, P. | | Deposit date: | 2023-12-21 | | Release date: | 2025-05-14 | | Last modified: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes.
Sci Adv, 11, 2025
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8RJO
 | | Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in I1 intermediate state. | | Descriptor: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, SULFATE ION, histidine kinase | | Authors: | Sauthof, L, Schmidt, A, Szczepek, M, Brewster, A.S, Kern, J.F, Scheerer, P. | | Deposit date: | 2023-12-21 | | Release date: | 2025-05-14 | | Last modified: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes.
Sci Adv, 11, 2025
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8RJS
 | | Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in I5 intermediate state. | | Descriptor: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, CHLORIDE ION, SULFATE ION, ... | | Authors: | Sauthof, L, Schmidt, A, Szczepek, M, Brewster, A.S, Kern, J.F, Scheerer, P. | | Deposit date: | 2023-12-21 | | Release date: | 2025-05-14 | | Last modified: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes.
Sci Adv, 11, 2025
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8RJM
 | | Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in its Pfr state (I0a). | | Descriptor: | 1,2-ETHANEDIOL, 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, CHLORIDE ION, ... | | Authors: | Sauthof, L, Schmidt, A, Szczepek, M, Brewster, A.S, Kern, J.F, Scheerer, P. | | Deposit date: | 2023-12-21 | | Release date: | 2025-05-14 | | Last modified: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes.
Sci Adv, 11, 2025
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8RJU
 | | Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in I7 intermediate state. | | Descriptor: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Sauthof, L, Schmidt, A, Szczepek, M, Brewster, A.S, Kern, J.F, Scheerer, P. | | Deposit date: | 2023-12-21 | | Release date: | 2025-05-14 | | Last modified: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes.
Sci Adv, 11, 2025
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8RJR
 | | Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in I4 intermediate state. | | Descriptor: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sauthof, L, Schmidt, A, Szczepek, M, Brewster, A.S, Kern, J.F, Scheerer, P. | | Deposit date: | 2023-12-21 | | Release date: | 2025-05-14 | | Last modified: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes.
Sci Adv, 11, 2025
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8RJT
 | | Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in I6 intermediate state. | | Descriptor: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, CHLORIDE ION, SULFATE ION, ... | | Authors: | Sauthof, L, Schmidt, A, Szczepek, M, Brewster, A.S, Kern, J.F, Scheerer, P. | | Deposit date: | 2023-12-21 | | Release date: | 2025-05-14 | | Last modified: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes.
Sci Adv, 11, 2025
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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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