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5FF4
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BU of 5ff4 by Molmil
HydE from T. maritima in complex with (2R,4R)-TMeTDA
分子名称: (2~{R},4~{R})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
著者Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
登録日2015-12-17
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
2FU4
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BU of 2fu4 by Molmil
Crystal Structure of the DNA binding domain of E.coli FUR (Ferric Uptake Regulator)
分子名称: CADMIUM ION, CHLORIDE ION, Ferric uptake regulation protein, ...
著者Pecqueur, L, D'Autreaux, B, Dupuy, J, Nicolet, Y, Jacquamet, L, Brutscher, B, Michaud-Soret, I, Bersch, B.
登録日2006-01-26
公開日2006-05-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural changes of Escherichia coli ferric uptake regulator during metal-dependent dimerization and activation explored by NMR and X-ray crystallography
J.Biol.Chem., 281, 2006
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
分子名称: 5'-DEOXYADENOSINE, BROMIDE ION, GLYCEROL, ...
著者Amara, P, Saragaglia, C, Mouesca, J.-M, Martin, L, Nicolet, Y.
登録日2021-08-04
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献L-tyrosine-bound ThiH structure reveals C-C bond break differences within radical SAM aromatic amino acid lyases.
Nat Commun, 13, 2022
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
分子名称: 5'-DEOXYADENOSINE, GLYCEROL, IRON/SULFUR CLUSTER, ...
著者Amara, P, Saragaglia, C, Mouesca, J.-M, Martin, L, Nicolet, Y.
登録日2021-08-04
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献L-tyrosine-bound ThiH structure reveals C-C bond break differences within radical SAM aromatic amino acid lyases.
Nat Commun, 13, 2022
5FEZ
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BU of 5fez by Molmil
HydE from T. maritima in complex with (2R,4R)-MeSeTDA, 5'-deoxyadenosine and methionine
分子名称: (2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, ...
著者Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
登録日2015-12-17
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
4HVK
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BU of 4hvk by Molmil
Crystal structure and functional studies of an unusual L-cysteine desulfurase from Archaeoglobus fulgidus.
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, CALCIUM ION, CHLORIDE ION, ...
著者Yamanaka, Y, Zeppieri, L, Nicolet, Y, Marinoni, E.N, de Oliveira, J.S, Masafumi, O, Dean, D.R, Fontecilla-Camps, J.C.
登録日2012-11-06
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Crystal structure and functional studies of an unusual L-cysteine desulfurase from Archaeoglobus fulgidus.
Dalton Trans, 42, 2013
7BI7
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BU of 7bi7 by Molmil
An Unexpected P-Cluster like Intermediate En Route to the Nitrogenase FeMo-co
分子名称: FE(8)-S(7) CLUSTER, FeMo cofactor biosynthesis protein NifB, HYDROSULFURIC ACID, ...
著者Jenner, L.P, Cherrier, M.V, Amara, P, Rubio, L.M, Nicolet, Y.
登録日2021-01-12
公開日2021-03-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献An unexpected P-cluster like intermediate en route to the nitrogenase FeMo-co.
Chem Sci, 12, 2021
8QMK
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BU of 8qmk by Molmil
Enzymatically-produced complex-B bound TmHydE structure
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBON MONOXIDE, CHLORIDE ION, ...
著者Omeiri, J, Martin, L, Usclat, A, Cherrier, M.V, Nicolet, Y.
登録日2023-09-22
公開日2023-11-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE.
Angew.Chem.Int.Ed.Engl., 62, 2023
8QMM
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BU of 8qmm by Molmil
M291I variant of the [FeFe]-hydrogenase maturase HydE from Thermotoga maritima
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
著者Omeiri, J, Martin, L, Usclat, A, Cherrier, M.V, Nicolet, Y.
登録日2023-09-23
公開日2023-11-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE.
Angew.Chem.Int.Ed.Engl., 62, 2023
8QML
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BU of 8qml by Molmil
(2R,4R)-MeTDA bound HydE structure (control experiment)
分子名称: (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
著者Omeiri, J, Martin, L, Usclat, A, Cherrier, M.V, Nicolet, Y.
登録日2023-09-22
公開日2023-11-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE.
Angew.Chem.Int.Ed.Engl., 62, 2023
8QMN
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BU of 8qmn by Molmil
[FeFe]-hydrogenase maturase HydE from T. maritima - dialysis experiment - empty structure
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
著者Omeiri, J, Martin, L, Usclat, A, Cherrier, M.V, Nicolet, Y.
登録日2023-09-23
公開日2023-11-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE.
Angew.Chem.Int.Ed.Engl., 62, 2023
6FD2
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BU of 6fd2 by Molmil
Radical SAM 1,2-diol dehydratase AprD4 in complex with its substrate paromamine
分子名称: 5'-DEOXYADENOSINE, IRON/SULFUR CLUSTER, METHIONINE, ...
著者Liu, W.Q, Amara, P, Mouesca, J.M, Ji, X, Renoux, O, Martin, L, Zhang, C, Zhang, Q, Nicolet, Y.
登録日2017-12-21
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献1,2-Diol Dehydration by the Radical SAM Enzyme AprD4: A Matter of Proton Circulation and Substrate Flexibility.
J. Am. Chem. Soc., 140, 2018
4BDS
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BU of 4bds by Molmil
Human butyrylcholinesterase in complex with tacrine
分子名称: 1-formyl-L-proline, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nachon, F, Carletti, E, Ronco, C, Trovaslet, M, Nicolet, Y, Jean, L, Renard, P.-Y.
登録日2012-10-06
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Human Cholinesterases in Complex with Huprine W and Tacrine: Elements of Specificity for Anti-Alzheimer'S Drugs Targeting Acetyl- and Butyrylcholinesterase.
Biochem.J., 453, 2013
4BDT
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BU of 4bdt by Molmil
Human acetylcholinesterase in complex with huprine W and fasciculin 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, CHLORIDE ION, ...
著者Nachon, F, Carletti, E, Ronco, C, Trovaslet, M, Nicolet, Y, Jean, L, Renard, P.-Y.
登録日2012-10-06
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.104 Å)
主引用文献Crystal structures of human cholinesterases in complex with huprine W and tacrine: elements of specificity for anti-Alzheimer's drugs targeting acetyl- and butyryl-cholinesterase.
Biochem. J., 453, 2013
4R5F
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BU of 4r5f by Molmil
X-ray structure of the D199K mutant of the cysteine desulfurase IscS from A. fulgidus
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ACETATE ION, CALCIUM ION, ...
著者Pagnier, A, Nicolet, Y, Fontecilla-Camps, J.C.
登録日2014-08-21
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献IscS from Archaeoglobus fulgidus has no desulfurase activity but may provide a cysteine ligand for [Fe2S2] cluster assembly.
Biochim.Biophys.Acta, 1853, 2015
4EB5
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BU of 4eb5 by Molmil
A. fulgidus IscS-IscU complex structure
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ...
著者Marinoni, E.N, de Oliveira, J.S, Nicolet, Y, Raulfs, E.C, Amara, P, Dean, D.R, Fontecilla-Camps, J.C.
登録日2012-03-23
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献(IscS-IscU)2 complex structures provide insights into Fe2S2 biogenesis and transfer.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EB7
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BU of 4eb7 by Molmil
A. fulgidus IscS-IscU complex structure
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ...
著者Marinoni, E.N, de Oliveira, J.S, Nicolet, Y, Raulfs, E.C, Amara, P, Dean, D.R, Fontecilla-Camps, J.C.
登録日2012-03-23
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献(IscS-IscU)2 complex structures provide insights into Fe2S2 biogenesis and transfer.
Angew.Chem.Int.Ed.Engl., 51, 2012
7O25
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BU of 7o25 by Molmil
Complex-B bound [FeFe]-hydrogenase maturase HydE from T. maritima (reaction triggered in the crystal)
分子名称: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBON MONOXIDE, ...
著者Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y.
登録日2021-03-30
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B.
J.Am.Chem.Soc., 143, 2021
7O1P
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[FeFe]-hydrogenase maturase HydE from T. Maritima (C-ter stretch absent)
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBONATE ION, CHLORIDE ION, ...
著者Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y.
登録日2021-03-30
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B.
J.Am.Chem.Soc., 143, 2021
7O26
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Complex-B bound [FeFe]-hydrogenase maturase HydE fromT. Maritima (5'dA + Methionine)
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, CARBON MONOXIDE, ...
著者Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y.
登録日2021-03-30
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B.
J.Am.Chem.Soc., 143, 2021
7O1S
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Complex-B bound [FeFe]-hydrogenase maturase HydE fromT. Maritima (Wild-type protein)
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBON MONOXIDE, CYANIDE ION, ...
著者Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y.
登録日2021-03-30
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B.
J.Am.Chem.Soc., 143, 2021
7O1T
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Fe(CO)2CNCl species bound [HydE from T. Maritima
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBON MONOXIDE, CHLORIDE ION, ...
著者Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y.
登録日2021-03-30
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B.
J.Am.Chem.Soc., 143, 2021
7O1O
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Complex-B bound [FeFe]-hydrogenase maturase HydE fromT. Maritima (Auxiliary cluster deleted variant)
分子名称: CARBON MONOXIDE, CHLORIDE ION, CYANIDE ION, ...
著者Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y.
登録日2021-03-30
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B.
J.Am.Chem.Soc., 143, 2021
2WIL
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AGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA5
分子名称: 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, ...
著者Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F.
登録日2009-05-12
公開日2009-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-Activity Analysis of Aging and Reactivation of Human Butyrylcholinesterase Inhibited by Analogues of Tabun
Biochem.J., 421, 2009
2WIK
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NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F.
登録日2009-05-12
公開日2009-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun.
Biochem. J., 421, 2009

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