3L5L
| Xenobiotic Reductase A - oxidized | Descriptor: | (R,R)-2,3-BUTANEDIOL, FLAVIN MONONUCLEOTIDE, SULFATE ION, ... | Authors: | Spiegelhauer, O, Dobbek, H. | Deposit date: | 2009-12-22 | Release date: | 2010-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study J.Mol.Biol., 398, 2010
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4PJ0
| Structure of T.elongatus Photosystem II, rows of dimers crystal packing | 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: | Hellmich, J, Bommer, M, Burkhardt, A, Ibrahim, M, Kern, J, Meents, A, Mueh, F, Dobbek, H, Zouni, A. | Deposit date: | 2014-05-10 | Release date: | 2014-10-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.437 Å) | Cite: | Native-like Photosystem II Superstructure at 2.44 angstrom Resolution through Detergent Extraction from the Protein Crystal. Structure, 22, 2014
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4UDX
| CO2 bound to cluster C of Ni,Fe-CO dehydrogenase at true-atomic resolution | Descriptor: | CARBON DIOXIDE, CARBON MONOXIDE DEHYDROGENASE 2, FE (II) ION, ... | Authors: | Fesseler, J, Jeoung, J.-H, Dobbek, H. | Deposit date: | 2014-12-12 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | How the [NiFe4S4] Cluster of CO Dehydrogenase Activates CO2 and NCO(-). Angew. Chem. Int. Ed. Engl., 54, 2015
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4UDY
| NCO- bound to cluster C of Ni,Fe-CO dehydrogenase at true-atomic resolution | Descriptor: | CARBON MONOXIDE DEHYDROGENASE 2, FE (II) ION, FE(3)-NI(1)-S(4) CLUSTER, ... | Authors: | Fesseler, J, Jeoung, J.-H, Dobbek, H. | Deposit date: | 2014-12-12 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | How the [Nife4 S4 ] Cluster of Co Dehydrogenase Activates Co2 and Nco(.) Angew.Chem.Int.Ed.Engl., 54, 2015
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5AA5
| Actinobacterial-type NiFe-hydrogenase from Ralstonia eutropha H16 at 2.85 Angstrom resolution | Descriptor: | IRON/SULFUR CLUSTER, MALONIC ACID, NIFE-HYDROGENASE LARGE SUBUNIT, ... | Authors: | Schaefer, C, Bommer, M, Hennig, S, Jeoung, J.H, Dobbek, H, Lenz, O. | Deposit date: | 2015-07-23 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Structure of an Actinobacterial-Type [Nife]-Hydrogenase Reveals Insight Into O2-Tolerant H2 Oxidation. Structure, 24, 2016
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3PVJ
| Crystal structure of the Fe(II)/alpha-ketoglutarate dependent taurine dioxygenase from Pseudomonas putida KT2440 | Descriptor: | Alpha-ketoglutarate-dependent taurine dioxygenase, CHLORIDE ION | Authors: | Knauer, S.H, Spiegelhauer, O, Schwarzinger, S, Haenzelmann, P, Dobbek, H. | Deposit date: | 2010-12-07 | Release date: | 2011-12-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Biochemical and structural characterization of the Fe(II)/alpha-ketoglutarate dependent taurine dioxygenase from Pseudomonas putida KT2440 To be Published
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7NYP
| monomeric acetyl-CoA synthase in closed conformation | Descriptor: | 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid, CO-methylating acetyl-CoA synthase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kreibich, J, Jeoung, J.H, Dobbek, H. | Deposit date: | 2021-03-23 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ligand binding at the Ni,Ni-[4Fe-4S] cluster of acetyl-CoA synthase To Be Published
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7NZ5
| monomeric acetyl-CoA synthase with Zn at the proximal position of cluster A | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid, CITRIC ACID, ... | Authors: | Kreibich, J, Jeoung, J.H, Dobbek, H. | Deposit date: | 2021-03-23 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ligand binding at the Ni,Ni-[4Fe-4S] cluster of acetyl-CoA synthase To Be Published
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7NYS
| monomeric acetyl-CoA synthase in closed conformation with carbon monoxide bound to the Ni proximal of cluster A | Descriptor: | $l^{3}-oxidanylidynemethylnickel, 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid, CHLORIDE ION, ... | Authors: | Kreibich, J, Jeoung, J.H, Dobbek, H. | Deposit date: | 2021-03-23 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ligand binding at the Ni,Ni-[4Fe-4S] cluster of acetyl-CoA synthase To Be Published
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7O0D
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7B7Q
| CooS-V with oxidized hybrid cluster | Descriptor: | 3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane, Carbon monoxide dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Jeoung, J.H, Dobbek, H. | Deposit date: | 2020-12-11 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A Morphing [4Fe-3S-nO]-Cluster within a Carbon Monoxide Dehydrogenase Scaffold. Angew.Chem.Int.Ed.Engl., 61, 2022
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7B7T
| CooS-V with oxidized hybrid cluster | Descriptor: | (R,R)-2,3-BUTANEDIOL, Carbon monoxide dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Jeoung, J.H, Dobbek, H. | Deposit date: | 2020-12-11 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | A Morphing [4Fe-3S-nO]-Cluster within a Carbon Monoxide Dehydrogenase Scaffold. Angew.Chem.Int.Ed.Engl., 61, 2022
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6ELQ
| Carbon Monoxide Dehydrogenase IV from Carboxydothermus hydrogenoformans | Descriptor: | Carbon Monoxide Dehydrogenase, FE(4)-NI(1)-S(5) CLUSTER with Oxygen, IRON/SULFUR CLUSTER | Authors: | Domnik, L, Goetzl, S, Jeoung, J.H, Dobbek, H. | Deposit date: | 2017-09-29 | Release date: | 2018-01-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | CODH-IV: A High-Efficiency CO-Scavenging CO Dehydrogenase with Resistance to O2. Angew. Chem. Int. Ed. Engl., 56, 2017
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6G2G
| Fe-S assembly Cfd1 | Descriptor: | Cytosolic Fe-S cluster assembly factor CFD1, IRON/SULFUR CLUSTER, SULFATE ION | Authors: | Jeoung, J.H, Dobbek, H. | Deposit date: | 2018-03-23 | Release date: | 2019-01-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Function and crystal structure of the dimeric P-loop ATPase CFD1 coordinating an exposed [4Fe-4S] cluster for transfer to apoproteins. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2X9A
| crystal structure of g3p from phage IF1 in complex with its coreceptor, the C-terminal domain of TolA | Descriptor: | ATTACHMENT PROTEIN G3P, MEMBRANE SPANNING PROTEIN, REQUIRED FOR OUTER MEMBRANE INTEGRITY | Authors: | Lorenz, S.H, Jakob, R.P, Dobbek, H, Schmid, F.X. | Deposit date: | 2010-03-15 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | The Filamentous Phages Fd and If1 Use Different Mechanisms to Infect Escherichia Coli. J.Mol.Biol., 405, 2011
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2X9B
| The filamentous phages fd and IF1 use different infection mechanisms | Descriptor: | ATTACHMENT PROTEIN G3P | Authors: | Lorenz, S.H, Jakob, R.P, Weininger, U, Dobbek, H, Schmid, F.X. | Deposit date: | 2010-03-15 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | The Filamentous Phages Fd and If1 Use Different Mechanisms to Infect Escherichia Coli. J.Mol.Biol., 405, 2011
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6DHP
| RT XFEL structure of the three-flash state of Photosystem II (3F, S0-rich) at 2.04 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: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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6DHH
| RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 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: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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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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3I39
| NI,FE-CODH-320 MV+CN state | Descriptor: | CYANIDE ION, Carbon monoxide dehydrogenase 2, FE (II) ION, ... | Authors: | Jeoung, J.-H, Dobbek, H. | Deposit date: | 2009-06-30 | Release date: | 2009-08-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structural basis of cyanide inhibition of Ni, Fe-containing carbon monoxide dehydrogenase J.Am.Chem.Soc., 131, 2009
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3HRD
| Crystal structure of nicotinate dehydrogenase | Descriptor: | CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wagener, N, Pierik, A.J, Hille, R, Dobbek, H. | Deposit date: | 2009-06-09 | Release date: | 2009-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Mo-Se active site of nicotinate dehydrogenase Proc.Natl.Acad.Sci.USA, 106, 2009
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3DGS
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6QII
| Xenon derivatization of the F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri | Descriptor: | (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit alpha, Coenzyme F420 hydrogenase subunit beta, ... | Authors: | Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H. | Deposit date: | 2019-01-19 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases. Angew.Chem.Int.Ed.Engl., 58, 2019
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6QGT
| The carbon monoxide inhibition of F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit beta, ... | Authors: | Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H. | Deposit date: | 2019-01-12 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.988 Å) | Cite: | X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases. Angew.Chem.Int.Ed.Engl., 58, 2019
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