6ZAM
 
 | | Fluorine labeled IPNS S55C in complex with Fe and ACV under anaerobic conditions. | | Descriptor: | 1,1,1-tris(fluoranyl)propan-2-one, 1,1,1-tris(fluoranyl)propane-2,2-diol, FE (III) ION, ... | | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | | Deposit date: | 2020-06-05 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
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6ZAK
 | | Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV. | | Descriptor: | Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, SULFATE ION, ... | | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | | Deposit date: | 2020-06-05 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV.
To Be Published
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5KAF
 | | RT XFEL structure of Photosystem II in the dark state at 3.0 A 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: | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2016-06-01 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.00001 Å) | | Cite: | Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
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5KAI
 | | NH3-bound RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 2.8 A 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: | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2016-06-01 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.80000925 Å) | | Cite: | Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
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5TIS
 | | Room temperature XFEL structure of the native, doubly-illuminated photosystem II complex | | 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: | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Fuller, F, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Hussein, R, Zhang, M, Douthit, L, Kubin, M, de Lichtenberg, C, Pham, L.V, Nilsson, H, Cheah, M.H, Shevela, D, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Pastor, E, Weninger, C, Fransson, T, Lassalle, L, Braeuer, P, Aller, P, Docker, P.T, Andi, B, Orville, A.M, Glownia, J.M, Nelson, S, Sikorski, M, Zhu, D, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Watermann, D.G, Evans, G, Wernet, P, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2016-10-03 | | Release date: | 2016-11-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25000381 Å) | | Cite: | Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
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7Z3E
 | | XFEL structure of Class Ib ribonucleotide reductase dimanganese(II) NrdF in complex with hydroquinone NrdI from Bacillus cereus | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, MANGANESE (II) ION, Protein NrdI, ... | | Authors: | John, J, Lebrette, H, Aurelius, O, Hogbom, M. | | Deposit date: | 2022-03-02 | | Release date: | 2022-09-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Redox-controlled reorganization and flavin strain within the ribonucleotide reductase R2b-NrdI complex monitored by serial femtosecond crystallography.
Elife, 11, 2022
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7Z3D
 | | XFEL structure of Class Ib ribonucleotide reductase dimanganese(II) NrdF in complex with oxidized NrdI from Bacillus cereus | | Descriptor: | FLAVIN MONONUCLEOTIDE, MANGANESE (II) ION, Protein NrdI, ... | | Authors: | John, J, Lebrette, H, Aurelius, O, Hogbom, M. | | Deposit date: | 2022-03-02 | | Release date: | 2022-09-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Redox-controlled reorganization and flavin strain within the ribonucleotide reductase R2b-NrdI complex monitored by serial femtosecond crystallography.
Elife, 11, 2022
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6P58
 | | Dark and Steady State-Illuminated Crystal Structure of Cyanobacteriochrome Receptor PixJ at 150K | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Methyl-accepting chemotaxis protein, ... | | Authors: | Clinger, J.A, Miller, M.D, Buirgie, E.S, Vierstra, R.D, Phillips Jr, G.N. | | Deposit date: | 2019-05-29 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Photoreversible interconversion of a phytochrome photosensory module in the crystalline state.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6PRY
 | | X-ray crystal structure of the blue-light absorbing state of PixJ from Thermosynechococcus elongatus by serial femtosecond crystallographic analysis | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Burgie, E.S, Clinger, J.A, Miller, M.D, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M, Kern, J.F. | | Deposit date: | 2019-07-12 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Photoreversible interconversion of a phytochrome photosensory module in the crystalline state.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6PRU
 | | Photoconvertible crystals of PixJ from Thermosynechococcus elongatus | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Burgie, E.S, Clinger, J.A, Miller, M.D, Phillips Jr, G.N, Vierstra, R.D. | | Deposit date: | 2019-07-11 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.539 Å) | | Cite: | Photoreversible interconversion of a phytochrome photosensory module in the crystalline state.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8BT3
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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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7SXM
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7SUC
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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: | 2023-10-11 | | 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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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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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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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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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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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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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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