4OUB
 
 | | A 2.20 angstroms X-ray crystal structure of E268A 2-aminomucaonate 6-semialdehyde dehydrogenase catalytic intermediate from Pseudomonas fluorescens | | Descriptor: | (2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Huo, L, Liu, A. | | Deposit date: | 2014-02-15 | | Release date: | 2014-12-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action.
Nat Commun, 6, 2015
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4OE2
 | | 2.00 Angstroms X-ray crystal structure of E268A 2-aminomuconate 6-semialdehyde dehydrogenase from Pseudomonas fluorescens | | Descriptor: | 2-aminomuconate 6-semialdehyde dehydrogenase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Huo, L, Davis, I, Liu, F, Esaki, S, Iwaki, H, Hasegawa, Y, Liu, A. | | Deposit date: | 2014-01-11 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action.
Nat Commun, 6, 2015
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8QUR
 | | Crystal structure of Ompk36 GD at 3500 eV with no absorption corrections | | Descriptor: | OmpK36, SULFATE ION | | Authors: | Duman, R, Wagner, A, Beis, K, Wong, J. | | Deposit date: | 2023-10-16 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
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8QVV
 | | Crystal structure of Ompk36 GD at 3500 eV based on analytical absorption corrections | | Descriptor: | OmpK36, SULFATE ION | | Authors: | Duman, R, Wagner, A, Beis, K, Wong, J. | | Deposit date: | 2023-10-18 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
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8QUQ
 | | Crystal structure of Ompk36 GD at 3500 eV based on spherical harmonics absorption corrections | | Descriptor: | OmpK36, SULFATE ION | | Authors: | Duman, R, Wagner, A, Beis, K, Wong, J. | | Deposit date: | 2023-10-16 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
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4OU2
 | | A 2.15 Angstroms X-ray crystal structure of E268A 2-aminomuconate 6-semialdehyde dehydrogenase catalytic intermediate from Pseudomonas fluorescens | | Descriptor: | (2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Huo, L, Liu, A. | | Deposit date: | 2014-02-14 | | Release date: | 2014-12-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action.
Nat Commun, 6, 2015
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8QVS
 | | Crystal structure of Ompk36 GD at 3500 eV based on a combination of spherical harmonics and analytical absorption corrections | | Descriptor: | OmpK36, SULFATE ION | | Authors: | Duman, R, Wagner, A, Beis, K, Wong, J. | | Deposit date: | 2023-10-18 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
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6UPP
 | | Radiation Damage Test of PixJ Pb state crystals | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Methyl-accepting chemotaxis protein, ... | | Authors: | Clinger, J.A, Miller, M.D, Burgie, E.S, Vierstra, R.D, Phillips Jr, G.N. | | Deposit date: | 2019-10-18 | | Release date: | 2019-12-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Photoreversible interconversion of a phytochrome photosensory module in the crystalline state.
Proc.Natl.Acad.Sci.USA, 117, 2020
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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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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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7A5Z
 | | Structure of VIM-2 metallo-beta-lactamase with hydrolysed Faropenem imine product | | Descriptor: | (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid, Beta-lactamase VIM-2, CHLORIDE ION, ... | | Authors: | Lucic, A, Schofield, C.J. | | Deposit date: | 2020-08-24 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
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7A60
 | | Crystal structure of VIM-2 with hydrolyzed faropenem (ring-open form) | | Descriptor: | (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2020-08-24 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
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7A61
 | | Crystal structure of KPC-2 with hydrolyzed faropenem (ring-open form) | | Descriptor: | (2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2020-08-24 | | Release date: | 2021-02-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
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