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8DBB
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BU of 8dbb by Molmil
Crystal structure of DDT with the selective inhibitor 2,5-Pyridinedicarboxylic Acid
分子名称: CITRIC ACID, D-dopachrome decarboxylase, pyridine-2,5-dicarboxylic acid
著者Parkins, A, Banumathi, S, Pantouris, G.
登録日2022-06-14
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献2,5-Pyridinedicarboxylic acid is a bioactive and highly selective inhibitor of D-dopachrome tautomerase.
Structure, 31, 2023
8VFK
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BU of 8vfk by Molmil
Crystal Structure of Delta 109-117 D-Dopachrome Tautomerase (D-DT)
分子名称: CITRATE ANION, D-dopachrome decarboxylase, SODIUM ION
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VDY
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BU of 8vdy by Molmil
Crystal Structure of Delta 114-117 D-Dopachrome Tautomerase (D-DT)
分子名称: D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-18
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VG8
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BU of 8vg8 by Molmil
Crystal Structure of T115A Variant of D-Dopachrome Tautomerase (D-DT) Bound to 4CPPC
分子名称: 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-23
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VFL
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Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 290K
分子名称: D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VG7
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BU of 8vg7 by Molmil
Crystal Structure of T115A Variant of D-Dopachrome Tautomerase (D-DT)
分子名称: D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-23
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VFN
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BU of 8vfn by Molmil
Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 310K
分子名称: D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VFO
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BU of 8vfo by Molmil
Crystal Structure of L117G Variant of D-Dopachrome Tautomerase (D-DT)
分子名称: CITRIC ACID, D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Thompson, M.C, Pantouris, G.
登録日2023-12-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VFW
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Crystal Structure of V113N D-Dopachrome Tautomerase (D-DT)
分子名称: CITRIC ACID, D-dopachrome decarboxylase
著者Parkins, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-22
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VG5
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BU of 8vg5 by Molmil
Crystal Structure of V113N Variant of D-Dopachrome Tautomerase (D-DT) Bound with 4CPPC
分子名称: 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, CITRIC ACID, D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Thompson, M.C, Pantouris, G.
登録日2023-12-22
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
4C3O
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BU of 4c3o by Molmil
Structure and function of an oxygen tolerant NiFe hydrogenase from Salmonella
分子名称: CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ...
著者Bowman, L, Flanagan, L, Fyfe, P.K, Parkin, A, Hunter, W.N, Sargent, F.
登録日2013-08-26
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献How the Structure of the Large Subunit Controls Function in an Oxygen-Tolerant [Nife]-Hydrogenase.
Biochem.J., 458, 2014
3EGW
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BU of 3egw by Molmil
The crystal structure of the NarGHI mutant NarH - C16A
分子名称: (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ...
著者Bertero, M.G, Rothery, R.A, Weiner, J.H, Strynadka, N.C.J.
登録日2008-09-11
公開日2010-03-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献When width is more important than height: Barriers to electron transfer in E.coli nitrate reductase
To be Published
8SPN
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BU of 8spn by Molmil
Crystal structure of macrophage migration inhibitory factor in complex with T614
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Iguratimod, ...
著者Pantouris, G, Lolis, E.
登録日2023-05-03
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Iguratimod, an allosteric inhibitor of macrophage migration inhibitory factor (MIF), prevents mortality and oxidative stress in a murine model of acetaminophen overdose.
Mol Med, 30, 2024
8Q1W
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BU of 8q1w by Molmil
TtX183B - A c-type cytochrome domain from the Teredinibacter turnerae protein TERTU_2913
分子名称: CHLORIDE ION, HEME C, Putative lipoprotein, ...
著者Rajagopal, B.S, Hemsworth, G.R.
登録日2023-08-01
公開日2024-03-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural dissection of two redox proteins from the shipworm symbiont Teredinibacter turnerae.
Iucrj, 11, 2024
8Q28
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BU of 8q28 by Molmil
Se-Met labelled TtX122A - A domain of unknown function from the Teredinibacter turnerae protein TERTU_3803
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Gluconolactonase domain protein, ...
著者Rajagopal, B.S, Hemsworth, G.R.
登録日2023-08-01
公開日2024-03-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural dissection of two redox proteins from the shipworm symbiont Teredinibacter turnerae.
Iucrj, 11, 2024
8Q1V
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BU of 8q1v by Molmil
TtX183A - A c-type cytochrome domain from the Teredinibacter turnerae protein TERTU_2913
分子名称: CHLORIDE ION, HEME C, Putative lipoprotein
著者Rajagopal, B.S, Hemsworth, G.R.
登録日2023-08-01
公開日2024-03-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural dissection of two redox proteins from the shipworm symbiont Teredinibacter turnerae.
Iucrj, 11, 2024
8Q2A
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BU of 8q2a by Molmil
TtX122B - A domain of unknown function from the Teredinibacter turnerae protein TERTU_2913
分子名称: CALCIUM ION, Putative lipoprotein
著者Rajagopal, B.S, Hemsworth, G.R.
登録日2023-08-01
公開日2024-03-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural dissection of two redox proteins from the shipworm symbiont Teredinibacter turnerae.
Iucrj, 11, 2024
8Q29
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BU of 8q29 by Molmil
TtX122A - A domain of unknown function from the Teredinibacter turnerae protein TERTU_3803
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Gluconolactonase domain protein, ...
著者Rajagopal, B.S, Hemsworth, G.R.
登録日2023-08-01
公開日2024-03-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural dissection of two redox proteins from the shipworm symbiont Teredinibacter turnerae.
Iucrj, 11, 2024
6G94
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BU of 6g94 by Molmil
Structure of E. coli hydrogenase-1 C19G variant in complex with cytochrome b
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
著者Volbeda, A, Fontecilla-Camps, J.C.
登録日2018-04-10
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
5IJU
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BU of 5iju by Molmil
Structure of an AA10 Lytic Polysaccharide Monooxygenase from Bacillus amyloliquefaciens with Cu(II) bound
分子名称: 1,2-ETHANEDIOL, BaAA10 Lytic Polysaccharide Monooxygenase, CALCIUM ION, ...
著者Gregory, R.C, Hemsworth, G.R, Turkenburg, J.P, Hart, S.J, Walton, P.H, Davies, G.J.
登録日2016-03-02
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Activity, stability and 3-D structure of the Cu(ii) form of a chitin-active lytic polysaccharide monooxygenase from Bacillus amyloliquefaciens.
Dalton Trans, 45, 2016
7B21
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BU of 7b21 by Molmil
The X183 domain from Cellvibrio japonicus Cbp2D
分子名称: 1,2-ETHANEDIOL, Carbohydrate binding protein, putative, ...
著者Branch, J, Hemsworth, G.R.
登録日2020-11-25
公開日2021-07-21
最終更新日2021-09-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献C-type cytochrome-initiated reduction of bacterial lytic polysaccharide monooxygenases.
Biochem.J., 478, 2021
7ZNV
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BU of 7znv by Molmil
Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 1.21 Angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
著者Robinson, W.X.Q, Mielke, T, Grogan, G.
登録日2022-04-22
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023
7ZNM
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BU of 7znm by Molmil
Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 2.01 Angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Artificial Unspecific Peroxygenase, ...
著者Robinson, W.X.Q, Mielke, T, Grogan, G.
登録日2022-04-21
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023
7ZNW
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Artificial Unspecific Peroxygenase expressed in Escherichia coli at 2.09 Angstrom resolution
分子名称: MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, artificial unspecific peoxygenase
著者Robinson, W.X.Q, Mielke, T, Grogan, G.
登録日2022-04-22
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023
4GD3
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BU of 4gd3 by Molmil
Structure of E. coli hydrogenase-1 in complex with cytochrome b
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
著者Volbeda, A, Fontecilla-Camps, J.C, Darnault, C.
登録日2012-07-31
公開日2013-01-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal Structure of the O(2)-Tolerant Membrane-Bound Hydrogenase 1 from Escherichia coli in Complex with Its Cognate Cytochrome b.
Structure, 21, 2013

 

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