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PDB: 46375 件

1W89
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Structure of the reduced form of human thioredoxin 2
分子名称: THIOREDOXIN
著者Smeets, A, Evrard, C, Declercq, J.P.
登録日2004-09-17
公開日2005-10-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Oxidized and Reduced Forms of Human Mitochondrial Thioredoxin 2.
Protein Sci., 14, 2005
8PL3
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Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 4.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
著者Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
1W3U
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Crystal structure of phosphoserine aminotransferase from Bacillus circulans var. alkalophilus
分子名称: GLYCEROL, PHOSPHOSERINE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
著者Kapetaniou, E.G, Dubnovitsky, A.P, Papageorgiou, A.C.
登録日2004-07-20
公開日2004-12-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Enzyme Adaptation to Alkaline Ph: Atomic Resolution (1.08 A) Structure of Phosphoserine Aminotransferase from Bacillus Alcalophilus
Protein Sci., 14, 2005
8PLJ
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Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 20.
分子名称: 1-(2-cyanoethanoyl)piperidine-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
著者Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PL9
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Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 10.
分子名称: 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
著者Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PL4
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Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 5.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-yl-methanamine
著者Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PLV
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Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 32.
分子名称: 1-(diphenylmethyl)azetidin-3-ol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
著者Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
1W8W
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CBM29-2 mutant Y46A: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules
分子名称: NON-CATALYTIC PROTEIN 1
著者Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J.
登録日2004-09-30
公開日2005-03-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules
J.Biol.Chem., 280, 2005
8PLA
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Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 11.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-[(4-methylphenyl)methyl]-2-thiophen-2-yl-ethanamide
著者Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
登録日2023-06-27
公開日2024-01-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
3FY7
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Crystal structure of homo sapiens CLIC3
分子名称: Chloride intracellular channel protein 3, SULFATE ION
著者Littler, D.R, Curmi, P.M.G, Breit, S.N, Perrakis, A.
登録日2009-01-22
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of human CLIC3 at 2 A resolution
Proteins, 78, 2010
8PLT
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Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 30.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine, Thioredoxin glutathione reductase
著者Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PLC
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BU of 8plc by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 13.
分子名称: (1~{R})-1-(4-ethoxyphenyl)ethanamine, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
著者Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
1W4Z
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BU of 1w4z by Molmil
Structure of actinorhodin polyketide (actIII) Reductase
分子名称: FORMIC ACID, KETOACYL REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hadfield, A.T, Limpkin, C, Teartasin, W, Simpson, T.J, Crosby, J, Crump, M.P.
登録日2004-08-03
公開日2004-12-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Crystal Structure of the Actiii Actinorhodin Polyketide Reductase; Proposed Mechanism for Acp and Polyketide Binding
Structure, 12, 2004
3FYM
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BU of 3fym by Molmil
The 1A structure of YmfM, a putative DNA-binding membrane protein from Staphylococcus aureus
分子名称: Putative uncharacterized protein, ZINC ION
著者Xu, L, Sedelnikova, S.E, Baker, P.J, Rice, D.W.
登録日2009-01-22
公開日2010-02-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献The 1A structure of YmfM, a putative DNA-binding membrane protein from Staphylococcus aureus
To be Published
8PLW
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Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 33.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, methyl 4-(4-fluorophenyl)piperazine-1-carboxylate
著者Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PLB
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Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 12.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-ethyl-4-[(methylsulfonyl)amino]benzamide, Thioredoxin glutathione reductase
著者Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PLO
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Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 25.
分子名称: 2-(4-methylphenyl)-N-{[(2S)-oxolan-2-yl]methyl}acetamide, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
著者Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PLR
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Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 28.
分子名称: (2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
著者Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
2IC1
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BU of 2ic1 by Molmil
Crystal Structure of Human Cysteine Dioxygenase in Complex with Substrate Cysteine
分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION
著者Ye, S, Wu, X, Wei, L, Tang, D, Sun, P, Rao, Z.
登録日2006-09-12
公開日2006-12-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献An Insight into the Mechanism of Human Cysteine Dioxygenase: KEY ROLES OF THE THIOETHER-BONDED TYROSINE-CYSTEINE COFACTOR.
J.Biol.Chem., 282, 2007
8PLP
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BU of 8plp by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 26.
分子名称: (3R)-1-methylpiperidin-3-yl furan-2-carboxylate, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
著者Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
1W4V
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structure of the oxidised form of human thioredoxin 2
分子名称: THIOREDOXIN, MITOCHONDRIAL
著者Smeets, A, Evrard, C, Declercq, J.P.
登録日2004-07-30
公開日2005-10-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of Oxidized and Reduced Forms of Human Mitochondrial Thioredoxin 2.
Protein Sci., 14, 2005
3G1M
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EthR from Mycobacterium tuberculosis in complex with compound BDM31381
分子名称: 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR
著者Willand, N, Dirie, B, Carette, X, Bifani, P, Singhal, A, Desroses, M, Leroux, F, Willery, E, Mathys, V, Deprez-Poulain, R, Delcroix, G, Frenois, F, Aumercier, M, Locht, C, Villeret, V, Deprez, B, Baulard, A.R.
登録日2009-01-30
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthetic EthR inhibitors boost antituberculous activity of ethionamide.
Nat.Med. (N.Y.), 15, 2009
4CRE
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BU of 4cre by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: 6-chloro-4-methyl-1H-quinolin-2-one, COAGULATION FACTOR XI, SULFATE ION
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
1W90
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CBM29-2 mutant D114A: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules
分子名称: 1,2-ETHANEDIOL, NON-CATALYTIC PROTEIN 1, SODIUM ION
著者Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J.
登録日2004-10-01
公開日2005-03-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules
J.Biol.Chem., 280, 2005
1W8Z
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CBM29-2 mutant K85A: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules
分子名称: NON CATALYTIC PROTEIN 1
著者Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J.
登録日2004-10-01
公開日2005-03-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules
J.Biol.Chem., 280, 2005

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