6HL4
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![BU of 6hl4 by Molmil](/molmil-images/mine/6hl4) | wild-type NuoEF from Aquifex aeolicus - reduced form | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-10 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6HLI
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![BU of 6hli by Molmil](/molmil-images/mine/6hli) | wild-type NuoEF from Aquifex aeolicus - reduced form bound to NAD+ | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-11 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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5N6Y
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![BU of 5n6y by Molmil](/molmil-images/mine/5n6y) | Azotobacter vinelandii vanadium nitrogenase | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, C Fe7 S8 V, CARBONATE ION, ... | Authors: | Sippel, D, Einsle, O. | Deposit date: | 2017-02-16 | Release date: | 2017-07-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The structure of vanadium nitrogenase reveals an unusual bridging ligand. Nat. Chem. Biol., 13, 2017
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6HL3
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![BU of 6hl3 by Molmil](/molmil-images/mine/6hl3) | wild-type NuoEF from Aquifex aeolicus - oxidized form bound to NAD+ | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-10 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6HLM
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![BU of 6hlm by Molmil](/molmil-images/mine/6hlm) | Variant G129D of NuoEF from Aquifex aeolicus bound to NAD+ | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-11 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6HL2
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![BU of 6hl2 by Molmil](/molmil-images/mine/6hl2) | wild-type NuoEF from Aquifex aeolicus - oxidized form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-10 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6HLJ
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![BU of 6hlj by Molmil](/molmil-images/mine/6hlj) | Variant G129S of NuoEF from Aquifex aeolicus - oxidized from | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-11 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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4RMG
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![BU of 4rmg by Molmil](/molmil-images/mine/4rmg) | Human Sirt2 in complex with SirReal2 and NAD+ | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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5MGY
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![BU of 5mgy by Molmil](/molmil-images/mine/5mgy) | Crystal structure of Pseudomonas stutzeri flavinyl transferase ApbE, apo form | Descriptor: | FAD:protein FMN transferase, MAGNESIUM ION | Authors: | Zhang, L, Trncik, C, Andrade, S.L.A, Einsle, O. | Deposit date: | 2016-11-22 | Release date: | 2016-12-14 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The flavinyl transferase ApbE of Pseudomonas stutzeri matures the NosR protein required for nitrous oxide reduction. Biochim. Biophys. Acta, 1858, 2016
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4RMH
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![BU of 4rmh by Molmil](/molmil-images/mine/4rmh) | Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, Ac-Lys-H3 peptide, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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5LCD
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![BU of 5lcd by Molmil](/molmil-images/mine/5lcd) | Structure of Polyphosphate Kinase from Meiothermus ruber bound to AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N. | Deposit date: | 2016-06-21 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5LD1
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![BU of 5ld1 by Molmil](/molmil-images/mine/5ld1) | Crystal Structure of Polyphosphate Kinase from Meiothermus ruber bound to ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N. | Deposit date: | 2016-06-23 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4RMI
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![BU of 4rmi by Molmil](/molmil-images/mine/4rmi) | Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide | Descriptor: | Ac-Lys-OTC peptide, N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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6HLA
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![BU of 6hla by Molmil](/molmil-images/mine/6hla) | wild-type NuoEF from Aquifex aeolicus - reduced form bound to NADH | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-11 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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3B6K
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![BU of 3b6k by Molmil](/molmil-images/mine/3b6k) | WrbA from Escherichia coli, Benzoquinone complex | Descriptor: | 1,4-benzoquinone, FLAVIN MONONUCLEOTIDE, Flavoprotein wrbA, ... | Authors: | Andrade, S.L.A, Patridge, E.V, Ferry, J.G, Einsle, O. | Deposit date: | 2007-10-29 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal structure of the NADH:quinone oxidoreductase WrbA from Escherichia coli. J.Bacteriol., 189, 2007
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3SBQ
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![BU of 3sbq by Molmil](/molmil-images/mine/3sbq) | Pseudomonas stutzeri nitrous oxide reductase, P65 crystal form | Descriptor: | CALCIUM ION, CHLORIDE ION, DINUCLEAR COPPER ION, ... | Authors: | Pomowski, A, Zumft, W.G, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2011-06-06 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | N2O binding at a [4Cu:2S] copper-sulphur cluster in nitrous oxide reductase. Nature, 477, 2011
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3SBP
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![BU of 3sbp by Molmil](/molmil-images/mine/3sbp) | Pseudomonas stutzeri nitrous oxide reductase, P1 crystal form | Descriptor: | CALCIUM ION, CHLORIDE ION, DINUCLEAR COPPER ION, ... | Authors: | Pomowski, A, Zumft, W.G, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2011-06-06 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | N2O binding at a [4Cu:2S] copper-sulphur cluster in nitrous oxide reductase. Nature, 477, 2011
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3SBR
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![BU of 3sbr by Molmil](/molmil-images/mine/3sbr) | Pseudomonas stutzeri nitrous oxide reductase, P1 crystal form with substrate | Descriptor: | CALCIUM ION, CHLORIDE ION, DINUCLEAR COPPER ION, ... | Authors: | Pomowski, A, Zumft, W.G, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2011-06-06 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | N2O binding at a [4Cu:2S] copper-sulphur cluster in nitrous oxide reductase. Nature, 477, 2011
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7OG7
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![BU of 7og7 by Molmil](/molmil-images/mine/7og7) | Crystal structure of the copper chaperone NosL from Shewanella denitrificans | Descriptor: | ACETONITRILE, COPPER (I) ION, NosL, ... | Authors: | Prasser, B, Schoener, L, Zhang, L, Einsle, O. | Deposit date: | 2021-05-06 | Release date: | 2021-07-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Copper Chaperone NosL Forms a Heterometal Site for Cu Delivery to Nitrous Oxide Reductase. Angew.Chem.Int.Ed.Engl., 60, 2021
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3B6I
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![BU of 3b6i by Molmil](/molmil-images/mine/3b6i) | WrbA from Escherichia coli, native structure | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavoprotein wrbA, POLYETHYLENE GLYCOL (N=34) | Authors: | Andrade, S.L.A, Patridge, E.V, Ferry, J.G, Einsle, O. | Deposit date: | 2007-10-29 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal structure of the NADH:quinone oxidoreductase WrbA from Escherichia coli. J.Bacteriol., 189, 2007
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3C75
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![BU of 3c75 by Molmil](/molmil-images/mine/3c75) | Paracoccus versutus methylamine dehydrogenase in complex with amicyanin | Descriptor: | Amicyanin, COPPER (II) ION, Methylamine dehydrogenase heavy chain, ... | Authors: | Cavalieri, C, Biermann, N, Vlasie, M.D, Einsle, O, Merli, A, Ferrari, D, Rossi, G.L, Ubbink, M. | Deposit date: | 2008-02-06 | Release date: | 2008-12-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural comparison of crystal and solution states of the 138 kDa complex of methylamine dehydrogenase and amicyanin from Paracoccus versutus. Biochemistry, 47, 2008
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1L5H
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![BU of 1l5h by Molmil](/molmil-images/mine/1l5h) | FeMo-cofactor Deficient Nitrogenase MoFe Protein | Descriptor: | CALCIUM ION, FE(8)-S(7) CLUSTER, nitrogenase molybdenum-iron protein alpha chain, ... | Authors: | Schmid, B, Ribbe, M.W, Einsle, O, Yoshida, M, Thomas, L.M, Dean, D.R, Rees, D.C, Burgess, B.K. | Deposit date: | 2002-03-06 | Release date: | 2002-04-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a cofactor-deficient nitrogenase MoFe protein. Science, 296, 2002
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3BNF
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![BU of 3bnf by Molmil](/molmil-images/mine/3bnf) | W. succinogenes NrfA Sulfite Complex | Descriptor: | ACETATE ION, CALCIUM ION, Cytochrome c-552, ... | Authors: | Lukat, P, Einsle, O. | Deposit date: | 2007-12-14 | Release date: | 2008-02-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Binding and Reduction of Sulfite by Cytochrome c Nitrite Reductase Biochemistry, 47, 2008
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1M2A
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![BU of 1m2a by Molmil](/molmil-images/mine/1m2a) | Crystal structure at 1.5 Angstroms resolution of the wild type thioredoxin-like [2Fe-2S] ferredoxin from Aquifex aeolicus | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, SULFATE ION, ZINC ION, ... | Authors: | Yeh, A.P, Ambroggio, X.I, Andrade, S.L.A, Einsle, O, Chatelet, C, Meyer, J, Rees, D.C. | Deposit date: | 2002-06-22 | Release date: | 2002-09-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-resolution crystal structures of the wild type and
Cys-55-->Ser and Cys-59-->Ser variants of the thioredoxin-like
[2Fe-2S] ferredoxin from Aquifex aeolicus J.Biol.Chem., 277, 2002
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3B6M
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![BU of 3b6m by Molmil](/molmil-images/mine/3b6m) | WrbA from Escherichia coli, second crystal form | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavoprotein wrbA, POLYETHYLENE GLYCOL (N=34), ... | Authors: | Andrade, S.L.A, Patridge, E.V, Ferry, J.G, Einsle, O. | Deposit date: | 2007-10-29 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of the NADH:quinone oxidoreductase WrbA from Escherichia coli. J.Bacteriol., 189, 2007
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