7BHK
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7BH7
| Room temperature, serial X-ray structure of the ertapenem-derived acylenzyme of CTX-M-15 (10 min soak) collected on fixed target chips at Diamond Light Source I24 | Descriptor: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | Deposit date: | 2021-01-10 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
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7BH3
| XFEL structure of CTX-M-15 resting state | Descriptor: | Beta-lactamase, CHLORIDE ION, SULFATE ION | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | Deposit date: | 2021-01-10 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
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7BHL
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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: | 2023-10-18 | 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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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: | 2023-10-18 | 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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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: | 2023-10-18 | 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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8TSZ
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8TSY
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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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8TT0
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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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8TSU
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8TT1
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6YY3
| XFEL structure of the Soluble methane monooxygenase hydroxylase and regulatory subunit complex, from Methylosinus trichosporium OB3b, t=0 diferrous state prior to oxygen activation | Descriptor: | FE (II) ION, GLYCEROL, Methane monooxygenase, ... | Authors: | Srinivas, V, Hogbom, M. | Deposit date: | 2020-05-04 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 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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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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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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6U5C
| RT XFEL structure of CypA solved using MESH injection system | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Wolff, A.M, Thompson, M.C. | Deposit date: | 2019-08-27 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals Iucrj, 7, 2020
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6U5G
| MicroED structure of a FIB-milled CypA Crystal | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Wolff, A.M, Martynowycz, M.W, Zhao, W, Gonen, T, Fraser, J.S, Thompson, M.C. | Deposit date: | 2019-08-27 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | Cite: | Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals Iucrj, 7, 2020
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6UNF
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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 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of a ribonucleotide reductase R2 protein radical. Science, 382, 2023
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7QYD
| mosquitocidal Cry11Ba determined at pH 6.5 from naturally-occurring nanocrystals by Serial femtosecond crystallography | Descriptor: | Pesticidal crystal protein Cry11Ba | Authors: | De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A. | Deposit date: | 2022-01-28 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
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7QX4
| mosquitocidal Cry11Aa determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography | Descriptor: | Pesticidal crystal protein Cry11Aa | Authors: | De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P. | Deposit date: | 2022-01-26 | Release date: | 2022-07-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
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7QX6
| mosquitocidal Cry11Aa-E583Q determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography | Descriptor: | Pesticidal crystal protein Cry11Aa | Authors: | De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P. | Deposit date: | 2022-01-26 | Release date: | 2022-07-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
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