3USC
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![BU of 3usc by Molmil](/molmil-images/mine/3usc) | Crystal Structure of E. coli hydrogenase-1 in a ferricyanide-oxidized form | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Volbeda, A, Fontecilla-Camps, J.C, Darnault, C. | Deposit date: | 2011-11-23 | Release date: | 2012-03-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray crystallographic and computational studies of the O2-tolerant [NiFe]-hydrogenase 1 from Escherichia coli. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UQY
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![BU of 3uqy by Molmil](/molmil-images/mine/3uqy) | H2-reduced structure of E. coli hydrogenase-1 | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Volbeda, A, Fontecilla-Camps, J.C, Darnault, C. | Deposit date: | 2011-11-21 | Release date: | 2012-03-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | X-ray crystallographic and computational studies of the O2-tolerant [NiFe]-hydrogenase 1 from Escherichia coli. Proc.Natl.Acad.Sci.USA, 109, 2012
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3USE
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![BU of 3use by Molmil](/molmil-images/mine/3use) | Crystal Structure of E. coli hydrogenase-1 in its as-isolated form | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Volbeda, A, Fontecilla-Camps, J.C, Darnault, C. | Deposit date: | 2011-11-23 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | X-ray crystallographic and computational studies of the O2-tolerant [NiFe]-hydrogenase 1 from Escherichia coli. Proc.Natl.Acad.Sci.USA, 109, 2012
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1P0M
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![BU of 1p0m by Molmil](/molmil-images/mine/1p0m) | Crystal structure of human butyryl cholinesterase in complex with a choline molecule | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nicolet, Y, Lockridge, O, Masson, P, Fontecilla-Camps, J.C, Nachon, F. | Deposit date: | 2003-04-10 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal structure of human butyrylcholinesterase and of its complexes with substrate and products. J.Biol.Chem., 278, 2003
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1P0I
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![BU of 1p0i by Molmil](/molmil-images/mine/1p0i) | Crystal structure of human butyryl cholinesterase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nicolet, Y, Lockridge, O, Masson, P, Fontecilla-Camps, J.C, Nachon, F. | Deposit date: | 2003-04-10 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of human butyrylcholinesterase and of its complexes with substrate and products. J.Biol.Chem., 278, 2003
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1NAN
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![BU of 1nan by Molmil](/molmil-images/mine/1nan) | MCH CLASS I H-2KB MOLECULE COMPLEXED WITH PBM1 PEPTIDE | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ... | Authors: | Reiser, J.-B, Darnault, C, Gregoire, C, Mosser, T, Mazza, G, Kearnay, A, van der Merwe, P.A, Fontecilla-Camps, J.C, Housset, D, Malissen, B. | Deposit date: | 2002-11-28 | Release date: | 2003-03-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | CDR3 loop flexibility contributes to the degeneracy of TCR recognition Nat.Immunol., 4, 2003
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1P0P
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![BU of 1p0p by Molmil](/molmil-images/mine/1p0p) | Crystal structure of soman-aged human butyryl cholinesterase in complex with the substrate analog butyrylthiocholine | Descriptor: | 2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nicolet, Y, Lockridge, O, Masson, P, Fontecilla-Camps, J.C, Nachon, F. | Deposit date: | 2003-04-10 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of human butyrylcholinesterase and of its complexes with substrate and products. J.Biol.Chem., 278, 2003
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1P0Q
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![BU of 1p0q by Molmil](/molmil-images/mine/1p0q) | Crystal structure of soman-aged human butyryl cholinesterase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Nicolet, Y, Lockridge, O, Masson, P, Fontecilla-Camps, J.C, Nachon, F. | Deposit date: | 2003-04-10 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Crystal structure of human butyrylcholinesterase and of its complexes with substrate and products. J.Biol.Chem., 278, 2003
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1FO0
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![BU of 1fo0 by Molmil](/molmil-images/mine/1fo0) | MURINE ALLOREACTIVE SCFV TCR-PEPTIDE-MHC CLASS I MOLECULE COMPLEX | Descriptor: | NATURALLY PROCESSED OCTAPEPTIDE PBM1, PROTEIN (ALLOGENEIC H-2KB MHC CLASS I MOLECULE), PROTEIN (BETA-2 MICROGLOBULIN), ... | Authors: | Reiser, J.B, Darnault, C, Guimezanes, A, Gregoire, C, Mosser, T, Schmitt-Verhulst, A.-M, Fontecilla-Camps, J.C, Malissen, B, Housset, D, Mazza, G. | Deposit date: | 2000-08-24 | Release date: | 2000-10-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a T cell receptor bound to an allogeneic MHC molecule. Nat.Immunol., 1, 2000
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1FAS
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![BU of 1fas by Molmil](/molmil-images/mine/1fas) | 1.9 ANGSTROM RESOLUTION STRUCTURE OF FASCICULIN 1, AN ANTI-ACETYLCHOLINESTERASE TOXIN FROM GREEN MAMBA SNAKE VENOM | Descriptor: | FASCICULIN 1 | Authors: | Le Du, M.H, Marchot, P, Bougis, P.E, Fontecilla-Camps, J.C. | Deposit date: | 1992-08-07 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.9-A resolution structure of fasciculin 1, an anti-acetylcholinesterase toxin from green mamba snake venom. J.Biol.Chem., 267, 1992
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1FRV
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![BU of 1frv by Molmil](/molmil-images/mine/1frv) | CRYSTAL STRUCTURE OF THE OXIDIZED FORM OF NI-FE HYDROGENASE | Descriptor: | FE3-S4 CLUSTER, HYDRATED FE, HYDROGENASE, ... | Authors: | Volbeda, A, Frey, M, Fontecilla-Camps, J.C. | Deposit date: | 1996-03-28 | Release date: | 1996-11-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of the nickel-iron hydrogenase from Desulfovibrio gigas. Nature, 373, 1995
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3MZ9
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![BU of 3mz9 by Molmil](/molmil-images/mine/3mz9) | X-ray structure of NikA in complex with HBED | Descriptor: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | Deposit date: | 2010-05-12 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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3MVX
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![BU of 3mvx by Molmil](/molmil-images/mine/3mvx) | X-ray structure of the reduced NikA/1 hybrid, NikA/1-Red | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ... | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | Deposit date: | 2010-05-05 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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3MVZ
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![BU of 3mvz by Molmil](/molmil-images/mine/3mvz) | X-ray structure of the (hydro)peroxo intermediate NikA/1-Int", after monohydroxylation of the iron complex | Descriptor: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, FE (III) ION, ... | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | Deposit date: | 2010-05-05 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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3MW0
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![BU of 3mw0 by Molmil](/molmil-images/mine/3mw0) | X-ray structure of the doubly hydroxylated iron complex-NikA species, NikA1/O2 | Descriptor: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid, DITHIANE DIOL, FE (III) ION, ... | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | Deposit date: | 2010-05-05 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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3MVW
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![BU of 3mvw by Molmil](/molmil-images/mine/3mvw) | X-ray structure of a "NikA+Iron complex" hybrid, NikA/1 | Descriptor: | 2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | Deposit date: | 2010-05-05 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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3MVY
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![BU of 3mvy by Molmil](/molmil-images/mine/3mvy) | X-ray structure of the diatomic oxo-intermediate NikA/1-Int', prior hydroxylation | Descriptor: | 2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | Deposit date: | 2010-05-05 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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3MZB
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![BU of 3mzb by Molmil](/molmil-images/mine/3mzb) | X-ray structure of NikA in complex with the doubly hydroxylated iron complex, 1-O2 | Descriptor: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | Deposit date: | 2010-05-12 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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3QIM
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![BU of 3qim by Molmil](/molmil-images/mine/3qim) | Histidine 416 of the periplamsic binding protein NikA is essential for nickel uptake in Escherichia coli | Descriptor: | ACETATE ION, GLYCEROL, Nickel-binding periplasmic protein, ... | Authors: | Cavazza, C, Martin, L, Laffly, E, Lebrette, H, Cherrier, M.V, Zeppieri, L, Richaud, P, Carriere, M, Fontecilla-Camps, J.C. | Deposit date: | 2011-01-27 | Release date: | 2011-03-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Histidine 416 of the periplasmic binding protein NikA is essential for nickel uptake in Escherichia coli Febs Lett., 585, 2011
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1DDI
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![BU of 1ddi by Molmil](/molmil-images/mine/1ddi) | CRYSTAL STRUCTURE OF SIR-FP60 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFITE REDUCTASE [NADPH] FLAVOPROTEIN ALPHA-COMPONENT | Authors: | Gruez, A, Pignol, D, Zeghouf, M, Coves, J, Fontecave, M, Ferrer, J.L, Fontecilla-Camps, J.C. | Deposit date: | 1999-11-10 | Release date: | 2000-11-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Four crystal structures of the 60 kDa flavoprotein monomer of the sulfite reductase indicate a disordered flavodoxin-like module. J.Mol.Biol., 299, 2000
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1DDG
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![BU of 1ddg by Molmil](/molmil-images/mine/1ddg) | CRYSTAL STRUCTURE OF SIR-FP60 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, SULFITE REDUCTASE (NADPH) FLAVOPROTEIN ALPHA-COMPONENT | Authors: | Gruez, A, Pignol, D, Zeghouf, M, Coves, J, Fontecave, M, Ferrer, J.L, Fontecilla-Camps, J.C. | Deposit date: | 1999-11-10 | Release date: | 2000-11-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Four crystal structures of the 60 kDa flavoprotein monomer of the sulfite reductase indicate a disordered flavodoxin-like module. J.Mol.Biol., 299, 2000
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1E08
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![BU of 1e08 by Molmil](/molmil-images/mine/1e08) | Structural model of the [Fe]-Hydrogenase/cytochrome c553 complex combining NMR and soft-docking | Descriptor: | 1,3-PROPANEDITHIOL, CARBON MONOXIDE, CYANIDE ION, ... | Authors: | Morelli, X, Czjzek, M, Hatchikian, C.E, Bornet, O, Fontecilla-Camps, J.C, Palma, N.P, Moura, J.J.G, Guerlesquin, F. | Deposit date: | 2000-03-13 | Release date: | 2000-08-25 | Last modified: | 2019-11-27 | Method: | SOLUTION NMR, THEORETICAL MODEL | Cite: | Structural Model of the Fe-Hydrogenase/Cytochrome C553 Complex Combining Transverse Relaxation-Optimized Spectroscopy Experiments and Soft Docking Calculations. J.Biol.Chem., 275, 2000
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5FEX
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![BU of 5fex by Molmil](/molmil-images/mine/5fex) | HydE from T. maritima in complex with Se-adenosyl-L-selenocysteine (tfinal of the reaction) | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, CHLORIDE ION, ... | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | Deposit date: | 2015-12-17 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE. Nat.Chem., 8, 2016
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5FF4
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![BU of 5ff4 by Molmil](/molmil-images/mine/5ff4) | HydE from T. maritima in complex with (2R,4R)-TMeTDA | Descriptor: | (2~{R},4~{R})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ... | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | Deposit date: | 2015-12-17 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE. Nat.Chem., 8, 2016
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5FEZ
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![BU of 5fez by Molmil](/molmil-images/mine/5fez) | HydE from T. maritima in complex with (2R,4R)-MeSeTDA, 5'-deoxyadenosine and methionine | Descriptor: | (2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, ... | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | Deposit date: | 2015-12-17 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE. Nat.Chem., 8, 2016
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