3EJ8
 
 | | Structure of double mutant of human iNOS oxygenase domain with bound immidazole | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, HEME C, IMIDAZOLE, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-09-17 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3E6O
 | | Structure of murine INOS oxygenase domain with inhibitor AR-C124355 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3E7G
 | | Structure of human INOSOX with inhibitor AR-C95791 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-18 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3F46
 | | The Crystal Structure of C176A Mutated [Fe]-Hydrogenase (Hmd) Holoenzyme from Methanocaldococcus jannaschii | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, ... | | Authors: | Hiromoto, T, Vogt, S, Warkentin, E, Thauer, R.K, Shima, S, Ermler, U. | | Deposit date: | 2008-10-31 | | Release date: | 2009-02-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The crystal structure of C176A mutated [Fe]-hydrogenase suggests an acyl-iron ligation in the active site iron complex.
Febs Lett., 583, 2009
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3F72
 | | Crystal Structure of the Staphylococcus aureus pI258 CadC Metal Binding Site 2 Mutant | | Descriptor: | Cadmium efflux system accessory protein, SODIUM ION | | Authors: | Kandegedara, A, Thiyagarajan, S, Kondapalli, K.C, Stemmler, T.L, Rosen, B.P. | | Deposit date: | 2008-11-07 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Role of bound Zn(II) in the CadC Cd(II)/Pb(II)/Zn(II)-responsive repressor.
J.Biol.Chem., 284, 2009
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2MTQ
 | | Solution Structure of a De Novo Designed Peptide that Sequesters Toxic Heavy Metals | | Descriptor: | Designed Peptide | | Authors: | Plegaria, J.S, Zuiderweg, E.R, Stemmler, T.L, Pecoraro, V.L. | | Deposit date: | 2014-08-28 | | Release date: | 2015-04-01 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Apoprotein Structure and Metal Binding Characterization of a de Novo Designed Peptide, alpha 3DIV, that Sequesters Toxic Heavy Metals.
Biochemistry, 54, 2015
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3OYZ
 | | Haloferax volcanii Malate Synthase Pyruvate/Acetyl-CoA Ternary Complex | | Descriptor: | ACETYL COENZYME *A, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Howard, B.R, Bracken, C, Neighbor, A, Thomas, G, Lamlenn, K.K, Schubert, H.L, Whitby, F.G. | | Deposit date: | 2010-09-24 | | Release date: | 2011-06-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of a halophilic archaeal malate synthase from Haloferax volcanii and comparisons with isoforms A and G.
Bmc Struct.Biol., 11, 2011
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3OZV
 | | The Crystal Structure of flavohemoglobin from R. eutrophus in complex with econazole | | Descriptor: | 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, 1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | El Hammi, E, Warkentin, E, Demmer, U, Ermler, U, Baciou, L. | | Deposit date: | 2010-09-27 | | Release date: | 2011-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of Ralstonia eutropha Flavohemoglobin in Complex with Three Antibiotic Azole Compounds.
Biochemistry, 50, 2011
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3MMA
 | | Dissimilatory sulfite reductase phosphate complex | | Descriptor: | IRON/SULFUR CLUSTER, PHOSPHATE ION, SIROHEME, ... | | Authors: | Parey, K, Warkentin, E, Kroneck, P.M.H, Ermler, U. | | Deposit date: | 2010-04-19 | | Release date: | 2010-07-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Reaction cycle of the dissimilatory sulfite reductase from Archaeoglobus fulgidus.
Biochemistry, 49, 2010
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3MMB
 | | Dissimilatory sulfite reductase in complex with the endproduct sulfide | | Descriptor: | HYDROSULFURIC ACID, IRON/SULFUR CLUSTER, SIROHEME, ... | | Authors: | Parey, K, Warkentin, E, Kroneck, P.M.H, Ermler, U. | | Deposit date: | 2010-04-19 | | Release date: | 2010-07-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Reaction cycle of the dissimilatory sulfite reductase from Archaeoglobus fulgidus.
Biochemistry, 49, 2010
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3MM6
 | | Dissimilatory sulfite reductase cyanide complex | | Descriptor: | CYANIDE ION, IRON/SULFUR CLUSTER, SIROHEME, ... | | Authors: | Parey, K, Warkentin, E, Kroneck, P.M.H, Ermler, U. | | Deposit date: | 2010-04-19 | | Release date: | 2010-07-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Reaction cycle of the dissimilatory sulfite reductase from Archaeoglobus fulgidus.
Biochemistry, 49, 2010
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2OHI
 | | Crystal Structure of coenzyme F420H2 oxidase (FprA), a diiron flavoprotein, reduced state | | Descriptor: | CHLORIDE ION, FE (III) ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Seedorf, H, Warkentin, E, Ermler, U. | | Deposit date: | 2007-01-10 | | Release date: | 2007-05-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of coenzyme F420H2 oxidase (FprA), a di-iron flavoprotein from methanogenic Archaea catalyzing the reduction of O2 to H2O.
Febs J., 274, 2007
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3OZW
 | | The Crystal Structure of flavohemoglobin from R. eutrophus in complex with ketoconazole | | Descriptor: | 1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL, 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | El Hammi, E, Warkentin, E, Demmer, U, Ermler, U, Baciou, L. | | Deposit date: | 2010-09-27 | | Release date: | 2011-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of Ralstonia eutropha Flavohemoglobin in Complex with Three Antibiotic Azole Compounds.
Biochemistry, 50, 2011
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3P5C
 | | The structure of the LDLR/PCSK9 complex reveals the receptor in an extended conformation | | Descriptor: | CALCIUM ION, Low density lipoprotein receptor variant, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Lo Surdo, P, Bottomley, M.J, Calzetta, A, Settembre, E.C, Cirillo, A, Pandit, S, Ni, Y, Hubbard, B, Sitlani, A, Carfi, A. | | Deposit date: | 2010-10-08 | | Release date: | 2011-10-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Mechanistic implications for LDL receptor degradation from the PCSK9/LDLR structure at neutral pH.
Embo Rep., 12, 2011
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3OZU
 | | The Crystal Structure of flavohemoglobin from R. eutrophus in complex with miconazole | | Descriptor: | 1-[(2R)-2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoprotein, ... | | Authors: | El Hammi, E, Warkentin, E, Demmer, U, Ermler, U, Baciou, L. | | Deposit date: | 2010-09-27 | | Release date: | 2011-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Ralstonia eutropha Flavohemoglobin in Complex with Three Antibiotic Azole Compounds.
Biochemistry, 50, 2011
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2PGN
 | | The crystal structure of FAD and ThDP-dependent Cyclohexane-1,2-dione Hydrolase in Complex with Cyclohexane-1,2-dione | | Descriptor: | CYCLOHEXANE-1,2-DIONE, Cyclohexane-1,2-dione Hydrolase (Cdh), FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Fraas, S, Warkentin, E, Ermler, U. | | Deposit date: | 2007-04-10 | | Release date: | 2008-04-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The crystal structure of FAD and ThDP-dependent Cyclohexane-1,2-dione Hydrolase in Complex with Cyclohexane-1,2-dione
To be Published
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3PER
 | | Crystal Structure of BoxB with phosphate bound to the diiron center | | Descriptor: | Benzoyl-CoA oxygenase component B, FE (III) ION, GLYCEROL, ... | | Authors: | Weinert, T, Rather, L.J, Fuchs, G, Ermler, U. | | Deposit date: | 2010-10-27 | | Release date: | 2011-06-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and Mechanism of the Diiron Benzoyl-Coenzyme A Epoxidase BoxB.
J.Biol.Chem., 286, 2011
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3PF7
 | | Crystal structure of BoxB with malonate bound to the diiron center | | Descriptor: | Benzoyl-CoA oxygenase component B, CHLORIDE ION, FE (III) ION, ... | | Authors: | Weinert, T, Rather, L.J, Fuchs, G, Ermler, U. | | Deposit date: | 2010-10-28 | | Release date: | 2011-06-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Structure and Mechanism of the Diiron Benzoyl-Coenzyme A Epoxidase BoxB.
J.Biol.Chem., 286, 2011
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2PGO
 | | The crystal structure of FAD and ThDP dependent Cyclohexane-1,2-dione Hydrolase (Cdh) from Azoarcus sp. strain 22Lin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cyclohexane-1,2-dione Hydrolase (Cdh), ... | | Authors: | Steinbach, A.K, Warkentin, E, Kroneck, P.M.H, Ermler, U. | | Deposit date: | 2007-04-10 | | Release date: | 2008-04-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | The crystal structure of FAD and ThDP dependent Cyclohexane-1,2-dione Hydrolase (Cdh) from Azoarcus sp. strain 22Lin
To be Published
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3MK7
 | | The structure of CBB3 cytochrome oxidase | | Descriptor: | 30-mer peptide, CALCIUM ION, COPPER (II) ION, ... | | Authors: | Buschmann, S, Warkentin, E, Michel, H, Ermler, U. | | Deposit date: | 2010-04-14 | | Release date: | 2010-08-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Structure of cbb3 Cytochrome Oxidase Provides Insights into Proton Pumping
Science, 329, 2010
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2OHJ
 | | Crystal Structure of coenzyme F420H2 oxidase (FprA), a diiron flavoprotein, inactive oxidized state | | Descriptor: | CHLORIDE ION, FE (III) ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Seedorf, H, Warkentin, E, Ermler, U. | | Deposit date: | 2007-01-10 | | Release date: | 2007-05-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure of coenzyme F420H2 oxidase (FprA), a di-iron flavoprotein from methanogenic Archaea catalyzing the reduction of O2 to H2O.
Febs J., 274, 2007
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2OGX
 | | The crystal structure of the molybdenum storage protein from Azotobacter vinelandii loaded with polyoxotungstates (WSto) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Molybdenum storage protein subunit alpha, ... | | Authors: | Schemberg, J, Warkentin, E, Ermler, U. | | Deposit date: | 2007-01-09 | | Release date: | 2007-04-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Towards Biological Supramolecular Chemistry: A Variety of Pocket-Templated, Individual Metal Oxide Cluster Nucleations in the Cavity of a Mo/W-Storage Protein.
Angew.Chem.Int.Ed.Engl., 46, 2007
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3EBD
 | | Structure of inhibited murine iNOS oxygenase domain | | Descriptor: | (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-27 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3E6N
 | | Structure of murine INOS oxygenase domain with inhibitor AR-C125813 | | Descriptor: | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3EAI
 | | Structure of inhibited murine iNOS oxygenase domain | | Descriptor: | 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-25 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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