7RF6
 
 | | RT XFEL structure of Photosystem II 250 microseconds after the second illumination at 2.01 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: | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2021-07-13 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
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7RF3
 | | RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.26 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: | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2021-07-13 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
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1ZXI
 | | Reconstituted CO dehydrogenase from Oligotropha carboxidovorans | | Descriptor: | COPPER (II) ION, CU(I)-S-MO(VI)(=O)OH CLUSTER, Carbon monoxide dehydrogenase large chain, ... | | Authors: | Resch, M, Dobbek, H, Meyer, O. | | Deposit date: | 2005-06-08 | | Release date: | 2005-10-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and functional reconstruction in situ of the [CuSMoO(2)] active site of carbon monoxide dehydrogenase from the carbon monoxide oxidizing eubacterium Oligotropha carboxidovorans
J.Biol.Inorg.Chem., 10, 2005
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5FLJ
 | | enzyme-substrate-dioxygen complex of Ni-quercetinase | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DIMETHYL SULFOXIDE, NICKEL (II) ION, ... | | Authors: | Jeoung, J.-H, Nianios, D, Fetzner, S, Dobbek, H. | | Deposit date: | 2015-10-26 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.818 Å) | | Cite: | Quercetin 2,4-Dioxygenase Activates Dioxygen in a Side-on O2 -Ni Complex.
Angew.Chem.Int.Ed.Engl., 55, 2016
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4UTJ
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1U8V
 | | Crystal Structure of 4-Hydroxybutyryl-CoA Dehydratase from Clostridium aminobutyricum: Radical catalysis involving a [4Fe-4S] cluster and flavin | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Gamma-aminobutyrate metabolism dehydratase/isomerase, IRON/SULFUR CLUSTER | | Authors: | Martins, B.M, Dobbek, H, Cinkaya, I, Buckel, W, Messerschmidt, A. | | Deposit date: | 2004-08-07 | | Release date: | 2004-12-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of 4-hydroxybutyryl-CoA dehydratase: radical catalysis involving a [4Fe-4S] cluster and flavin.
Proc.Natl.Acad.Sci.USA, 101, 2004
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4UTK
 | | XenA - reduced - Y183F variant | | 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, SULFATE ION, XENOBIOTIC REDUCTASE | | Authors: | Werther, T, Dobbek, H. | | Deposit date: | 2014-07-21 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase
Nat Commun, 8, 2017
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4UTM
 | | XenA - Reduced - Y183F variant in complex with 8-hydroxycoumarin | | 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, 8-HYDROXYCOUMARIN, SULFATE ION, ... | | Authors: | Werther, T, Dobbek, H. | | Deposit date: | 2014-07-21 | | Release date: | 2015-08-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase
Nat Commun, 8, 2017
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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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7O93
 | | diMn-sulerythrin | | Descriptor: | (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, HYDROGEN PEROXIDE, ... | | Authors: | Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2021-04-15 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
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7O8A
 | | diFe-sulerythrin reduced with Na-dithionite | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FE (III) ION, ... | | Authors: | Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2021-04-15 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
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7O9E
 | | diNi-sulerythrin | | Descriptor: | CHLORIDE ION, NICKEL (II) ION, Sulerythrin | | Authors: | Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2021-04-15 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
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7O9D
 | | peroxide-bound diCo-sulerythrin | | Descriptor: | CHLORIDE ION, COBALT (II) ION, HYDROGEN PEROXIDE, ... | | Authors: | Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2021-04-15 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
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7O91
 | | diMn-sulerythrin | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ... | | Authors: | Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2021-04-15 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
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7O8D
 | | diFe-sulerythrin oxidised by H2O2 | | Descriptor: | CHLORIDE ION, FE (III) ION, Sulerythrin | | Authors: | Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2021-04-15 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
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7O9C
 | | diNi-sulerythrin treated by hydrogen perxoide | | Descriptor: | CHLORIDE ION, NICKEL (II) ION, Sulerythrin | | Authors: | Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2021-04-15 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
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7O90
 | | Mono-Fe-sulerythrin | | Descriptor: | CHLORIDE ION, FE (III) ION, Sulerythrin | | Authors: | Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2021-04-15 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
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7O99
 | | diMn-sulerythrin | | Descriptor: | CHLORIDE ION, COBALT (II) ION, Sulerythrin | | Authors: | Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2021-04-15 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
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5FLI
 | | enzyme-substrate complex of Ni-quercetinase | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NICKEL (II) ION, QUERCETINASE QUED | | Authors: | Jeoung, J.-H, Nianios, D, Fetzner, S, Dobbek, H. | | Deposit date: | 2015-10-26 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Quercetin 2,4-Dioxygenase Activates Dioxygen in a Side-On O2-Ni Complex.
Angew. Chem. Int. Ed. Engl., 55, 2016
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1Z02
 | | 2-Oxoquinoline 8-Monooxygenase Component: Active site Modulation by Rieske-[2fe-2S] Center Oxidation/Reduction | | Descriptor: | 2-oxo-1,2-dihydroquinoline 8-monooxygenase, oxygenase component, FE (III) ION, ... | | Authors: | Martins, B.M, Svetlitchnaia, T, Dobbek, H. | | Deposit date: | 2005-03-01 | | Release date: | 2005-05-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 2-Oxoquinoline 8-Monooxygenase Oxygenase Component: Active Site Modulation by Rieske-[2Fe-2S] Center Oxidation/Reduction
Structure, 13, 2005
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1Z03
 | | 2-Oxoquinoline 8-Monooxygenase Component: Active site Modulation by Rieske-[2fe-2S] Center Oxidation/Reduction | | Descriptor: | 2-oxo-1,2-dihydroquinoline 8-monooxygenase, oxygenase component, FE (III) ION, ... | | Authors: | Martins, B.M, Svetlitchnaia, T, Dobbek, H. | | Deposit date: | 2005-03-01 | | Release date: | 2005-05-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 2-Oxoquinoline 8-Monooxygenase Oxygenase Component: Active Site Modulation by Rieske-[2Fe-2S] Center Oxidation/Reduction
Structure, 13, 2005
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1Z01
 | | 2-Oxoquinoline 8-Monooxygenase Component: Active site Modulation by Rieske-[2fe-2S] Center Oxidation/Reduction | | Descriptor: | 2-oxo-1,2-dihydroquinoline 8-monooxygenase, oxygenase component, FE (III) ION, ... | | Authors: | Martins, B.M, Svetlitchnaia, T, Dobbek, H. | | Deposit date: | 2005-03-01 | | Release date: | 2005-05-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 2-Oxoquinoline 8-Monooxygenase Oxygenase Component: Active Site Modulation by Rieske-[2Fe-2S] Center Oxidation/Reduction
Structure, 13, 2005
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3N19
 | | XenA - reduced | | 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, SULFATE ION, Xenobiotic reductase A | | Authors: | Spiegelhauer, O, Dobbek, H. | | Deposit date: | 2010-05-15 | | Release date: | 2010-09-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Determinants of substrate binding and protonation in the flavoenzyme xenobiotic reductase A
J.Mol.Biol., 403, 2010
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3O3N
 | | (R)-2-hydroxyisocaproyl-CoA dehydratase in complex with its substrate (R)-2-hydroxyisocaproyl-CoA | | Descriptor: | HYDROSULFURIC ACID, IRON/SULFUR CLUSTER, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2R)-2-hydroxy-4-methyl-pentanethioate, ... | | Authors: | Knauer, S.H, Buckel, W, Dobbek, H. | | Deposit date: | 2010-07-25 | | Release date: | 2011-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for Reductive Radical Formation and Electron Recycling in (R)-2-Hydroxyisocaproyl-CoA Dehydratase.
J.Am.Chem.Soc., 133, 2011
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