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6FD2
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BU of 6fd2 by Molmil
Radical SAM 1,2-diol dehydratase AprD4 in complex with its substrate paromamine
Descriptor: 5'-DEOXYADENOSINE, IRON/SULFUR CLUSTER, METHIONINE, ...
Authors:Liu, W.Q, Amara, P, Mouesca, J.M, Ji, X, Renoux, O, Martin, L, Zhang, C, Zhang, Q, Nicolet, Y.
Deposit date:2017-12-21
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:1,2-Diol Dehydration by the Radical SAM Enzyme AprD4: A Matter of Proton Circulation and Substrate Flexibility.
J. Am. Chem. Soc., 140, 2018
5FES
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BU of 5fes by Molmil
HydE from T. maritima in complex with (2R,4R)-MeSeTDA
Descriptor: (2~{R},4~{R})-2-methyl-1,3-selenazolidine-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 (1.27 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FF2
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BU of 5ff2 by Molmil
HydE from T. maritima in complex with (2R,4R)-TDA
Descriptor: (2~{R},4~{R})-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 (1.47 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FF4
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BU of 5ff4 by Molmil
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
5FEZ
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BU of 5fez by Molmil
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
6HTM
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BU of 6htm by Molmil
X-ray structure of the tryptophan lyase NosL in complex with bound tryptamin
Descriptor: 2-(1H-INDOL-3-YL)ETHANAMINE, 3-methyl-2-indolic acid synthase, 5'-DEOXYADENOSINE, ...
Authors:Amara, P, Mouesca, J.M, Bella, M, Saragaglia, C, Gambarelli, S, Nicolet, Y.
Deposit date:2018-10-04
Release date:2018-11-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Radical S-Adenosyl-l-methionine Tryptophan Lyase (NosL): How the Protein Controls the Carboxyl Radical •CO2-Migration.
J.Am.Chem.Soc., 140, 2018
6HTK
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BU of 6htk by Molmil
X-ray structure of the tryptophan lyase NosL in complex with (R)-(+)-indoline-2-carboxylate
Descriptor: 1H-indole-2-carboxylic acid, 3-methyl-2-indolic acid synthase, 5'-DEOXYADENOSINE, ...
Authors:Amara, P, Mouesca, J.M, Bella, M, Martin, L, Saragaglia, C, Gambarelli, S, Nicolet, Y.
Deposit date:2018-10-04
Release date:2018-11-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Radical S-Adenosyl-l-methionine Tryptophan Lyase (NosL): How the Protein Controls the Carboxyl Radical •CO2-Migration.
J.Am.Chem.Soc., 140, 2018
6HTO
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BU of 6hto by Molmil
Tryptophan lyase 'empty state'
Descriptor: 3-methyl-2-indolic acid synthase, 5'-DEOXYADENOSINE, CHLORIDE ION, ...
Authors:Amara, P, Mouesca, J.M, Bella, M, Martin, L, Saragaglia, C, Gambarelli, S, Nicolet, Y.
Deposit date:2018-10-04
Release date:2018-11-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Radical S-Adenosyl-l-methionine Tryptophan Lyase (NosL): How the Protein Controls the Carboxyl Radical •CO2-Migration.
J.Am.Chem.Soc., 140, 2018
5FEX
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BU of 5fex by Molmil
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
5FEW
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BU of 5few by Molmil
HydE from T. maritima in complex with S-adenosyl-L-cysteine (final product)
Descriptor: (2R,4R)-2-methyl-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 (1.17 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FF3
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BU of 5ff3 by Molmil
HydE from T. maritima in complex with 4R-TCA
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
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 (1.18 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FF0
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BU of 5ff0 by Molmil
HydE from T. maritima in complex with S-adenosyl-L-cysteine and methionine
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, Fe4-Se4 cluster, ...
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 (1.49 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FEP
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BU of 5fep by Molmil
HydE from T. maritima in complex with (2R,4R)-MeTDA
Descriptor: (2R,4R)-2-methyl-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 (1.45 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
7PD2
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BU of 7pd2 by Molmil
Crystal structure of the substrate-free radical SAM tyrosine lyase ThiH (2-iminoacetate synthase) from Thermosinus carboxydivorans
Descriptor: 5'-DEOXYADENOSINE, GLYCEROL, IRON/SULFUR CLUSTER, ...
Authors:Amara, P, Saragaglia, C, Mouesca, J.-M, Martin, L, Nicolet, Y.
Deposit date:2021-08-04
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:L-tyrosine-bound ThiH structure reveals C-C bond break differences within radical SAM aromatic amino acid lyases.
Nat Commun, 13, 2022
7PD1
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BU of 7pd1 by Molmil
Crystal structure of the L-tyrosine-bound radical SAM tyrosine lyase ThiH (2-iminoacetate synthase) from Thermosinus carboxydivorans
Descriptor: 5'-DEOXYADENOSINE, BROMIDE ION, GLYCEROL, ...
Authors:Amara, P, Saragaglia, C, Mouesca, J.-M, Martin, L, Nicolet, Y.
Deposit date:2021-08-04
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:L-tyrosine-bound ThiH structure reveals C-C bond break differences within radical SAM aromatic amino acid lyases.
Nat Commun, 13, 2022
6G94
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BU of 6g94 by Molmil
Structure of E. coli hydrogenase-1 C19G variant in complex with cytochrome b
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2018-04-10
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray structural, functional and computational studies of the O2-sensitive E. coli hydrogenase-1 C19G variant reveal an unusual [4Fe-4S] cluster.
Chem. Commun. (Camb.), 54, 2018
4JC0
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BU of 4jc0 by Molmil
Crystal structure of Thermotoga maritima holo RimO in complex with pentasulfide, Northeast Structural Genomics Consortium Target VR77
Descriptor: IRON/SULFUR PENTA-SULFIDE CONNECTED CLUSTERS, Ribosomal protein S12 methylthiotransferase RimO
Authors:Forouhar, F, Hussain, M, Seetharaman, J, Fang, Y, Chen, C.X, Cunningham, K, Conover, K, Ma, L.-C, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-02-20
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Two Fe-S clusters catalyze sulfur insertion by radical-SAM methylthiotransferases.
Nat.Chem.Biol., 9, 2013
6Y42
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BU of 6y42 by Molmil
Crystal Structure of RsrR complexed to a 39 basepair DNA fragment of the rsrR promoter
Descriptor: DNA (39-MER), FE2/S2 (INORGANIC) CLUSTER, Rrf2 family transcriptional regulator
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2020-02-19
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Electron and Proton Transfers Modulate DNA Binding by the Transcription Regulator RsrR.
J.Am.Chem.Soc., 142, 2020
6Y45
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BU of 6y45 by Molmil
Crystal Structure of the H33A variant of RsrR
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Rohac, R, Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2020-02-19
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Electron and Proton Transfers Modulate DNA Binding by the Transcription Regulator RsrR.
J.Am.Chem.Soc., 142, 2020
3IIZ
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BU of 3iiz by Molmil
X-ray structure of the FeFe-hydrogenase maturase HydE from T. maritima in complex with S-adenosyl-L-methionine
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Biotin synthetase, putative, ...
Authors:Nicolet, Y, Amara, P, Mouesca, J.M, Fontecilla-Camps, J.C.
Deposit date:2009-08-03
Release date:2009-09-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Unexpected electron transfer mechanism upon AdoMet cleavage in radical SAM proteins
Proc.Natl.Acad.Sci.USA, 2009
3IIX
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BU of 3iix by Molmil
X-ray structure of the FeFe-hydrogenase maturase HydE from T. maritima in complex with methionine and 5'deoxyadenosine
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, CARBONATE ION, ...
Authors:Nicolet, Y, Amara, P, Mouesca, J.M, Fontecilla-Camps, J.C.
Deposit date:2009-08-03
Release date:2009-09-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Unexpected electron transfer mechanism upon AdoMet cleavage in radical SAM proteins
Proc.Natl.Acad.Sci.USA, 2009
3USC
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BU of 3usc by Molmil
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
3UQY
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BU of 3uqy by Molmil
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
3USE
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BU of 3use by Molmil
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
3HB6
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BU of 3hb6 by Molmil
Inactive mutant H54F of Proteus mirabilis catalase
Descriptor: Catalase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Andeoletti, P, Jouve, H.M, Gouet, P.
Deposit date:2009-05-04
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Verdoheme formation in Proteus mirabilis catalase.
Biochim.Biophys.Acta, 1790, 2009

 

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