PDB: 171 件ウェブページステータス検索Chemie searchBIRD

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7DIP	Structure of PfGrx1 with manganese 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin, ... 著者 Manickam, Y, Sharma, A. 登録日 2020-11-19 公開日 2021-11-24 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.731 Å) 主引用文献 Interaction of metals with PfGrx1 To Be Published
7DIT	Structure of PfGrx1 in the intermediate state with cadmium and cesium 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CADMIUM ION, ... 著者 Manickam, Y, Sharma, A. 登録日 2020-11-19 公開日 2021-11-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Interaction of metals with PfGrx1 To Be Published
7DJ0	Structure of PfGrx1 in the reduced state using BME 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin 著者 Manickam, Y, Sharma, A. 登録日 2020-11-19 公開日 2021-11-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Interaction of metals with PfGrx1 To Be Published
7DIS	Structure of the PfGrx1 with platinum 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin, ... 著者 Manickam, Y, Sharma, A. 登録日 2020-11-19 公開日 2021-11-24 実験手法 X-RAY DIFFRACTION (1.901 Å) 主引用文献 Interaction of metals with PfGrx1 To Be Published
7DIK	Structure of PfGrx1 with barium 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, BARIUM ION, ... 著者 Manickam, Y, Sharma, A. 登録日 2020-11-19 公開日 2021-11-24 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Interaction of metals with PfGrx1 To Be Published
7DIQ	Structure of PfGrx1 with zinc 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin, ... 著者 Manickam, Y, Sharma, A. 登録日 2020-11-19 公開日 2021-11-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Interaction of metals with PfGrx1 To Be Published
7DIU	Structure of PfGrx1 in the intermediate state with platinum and cesium 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CESIUM ION, ... 著者 Manickam, Y, Sharma, A. 登録日 2020-11-19 公開日 2021-11-24 実験手法 X-RAY DIFFRACTION (1.879 Å) 主引用文献 Interaction of metals with PfGrx1 To Be Published
7DIL	Structure of PfGrx1 with cesium 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CESIUM ION, ... 著者 Manickam, Y, Sharma, A. 登録日 2020-11-19 公開日 2021-11-24 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Interaction of metals with PfGrx1 To Be Published
7DIO	Structure of PfGrx1 with iron 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE (III) ION, ... 著者 Manickam, Y, Sharma, A. 登録日 2020-11-19 公開日 2021-11-24 実験手法 X-RAY DIFFRACTION (1.899 Å) 主引用文献 Interaction of metals with PfGrx1 To Be Published
7DIM	Structure of PfGrx1 with cadmium 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CADMIUM ION, ... 著者 Manickam, Y, Sharma, A. 登録日 2020-11-19 公開日 2021-11-24 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Interaction of metals with PfGrx1 To Be Published
7C12	beta1 domain-swapped structure of monothiol cGrx1(C16S) 分子名称: Glutaredoxin 著者 Lee, K, Hwang, K.Y. 登録日 2020-05-02 公開日 2020-11-18 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.803 Å) 主引用文献 Monothiol and dithiol glutaredoxin-1 from clostridium oremlandii: identification of domain-swapped structures by NMR, X-ray crystallography and HDX mass spectrometry. Iucrj, 7, 2020
7NPX	Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-Methoxyquinoxalin-2-yl)propanoic acid at 24 hours of soaking 分子名称: 3-(3-methoxyquinoxalin-2-yl)propanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. 登録日 2021-02-28 公開日 2021-05-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
7PWE	Crystal structure of the glutaredoxin/ferredoxin disulfide reductase fusion protein from Desulfotalea psychrophila Lsv54 分子名称: Ferredoxin-thioredoxin reductase subunit B, IMIDAZOLE, IRON/SULFUR CLUSTER 著者 Didierjean, C, Mathiot, S, Rouhier, N. 登録日 2021-10-06 公開日 2022-10-05 実験手法 X-RAY DIFFRACTION (2.077 Å) 主引用文献 Crystal structure of the glutaredoxin/ferredoxin disulfide reductase fusion protein from Desulfotalea psychrophila Lsv54 Inorganics, 2022
7B02	Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid 分子名称: 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. 登録日 2020-11-18 公開日 2021-05-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
8A1R	cryo-EM structure of thioredoxin glutathione reductase in complex with a non-competitive inhibitor 分子名称: (2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase 著者 Ardini, M, Angelucci, F, Fata, F, Gabriele, F, Effantin, G, Ling, W, Williams, D.L, Petukhova, V.Z, Petukhov, P.A. 登録日 2022-06-01 公開日 2023-06-14 最終更新日 2023-07-05 実験手法 ELECTRON MICROSCOPY (3.6 Å) 主引用文献 Non-covalent inhibitors of thioredoxin glutathione reductase with schistosomicidal activity in vivo. Nat Commun, 14, 2023
6RTM	Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 2 hour of soaking 分子名称: 1-methylidenenaphthalen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, ... 著者 Angelucci, F, Silvestri, I, Fata, F, Williams, D.L. 登録日 2019-05-24 公開日 2020-01-08 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Ectopic suicide inhibition of thioredoxin glutathione reductase. Free Radic Biol Med, 147, 2020
6RTJ	Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 1 hour of soaking 分子名称: 1-[(dimethylamino)methyl]naphthalen-2-ol, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Angelucci, F, Silvestri, I, Fata, F, Williams, D.L. 登録日 2019-05-24 公開日 2020-01-08 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Ectopic suicide inhibition of thioredoxin glutathione reductase. Free Radic Biol Med, 147, 2020
6RTO	Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 4 hours of soaking 分子名称: 1-methylidenenaphthalen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ... 著者 Angelucci, F, Silvestri, I, Fata, F, Williams, D.L. 登録日 2019-05-24 公開日 2020-01-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Ectopic suicide inhibition of thioredoxin glutathione reductase. Free Radic Biol Med, 147, 2020
5W1J	Echinococcus granulosus thioredoxin glutathione reductas (egTGR) 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase 著者 Gao, W, Wang, Y, Dai, S. 登録日 2017-06-03 公開日 2017-11-22 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 The Enzymatic and Structural Basis for Inhibition of Echinococcus granulosus Thioredoxin Glutathione Reductase by Gold(I). Antioxid. Redox Signal., 27, 2017
5W1L	Echinococcus granulosus thioredoxin glutathione reductas (egTGR) with Gold 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, Thioredoxin glutathione reductase 著者 Gao, W, Wang, Y, Dai, S. 登録日 2017-06-03 公開日 2017-11-22 実験手法 X-RAY DIFFRACTION (2.88 Å) 主引用文献 The Enzymatic and Structural Basis for Inhibition of Echinococcus granulosus Thioredoxin Glutathione Reductase by Gold(I). Antioxid. Redox Signal., 27, 2017
1NM3	Crystal structure of Heamophilus influenza hybrid-Prx5 分子名称: Protein HI0572, SULFATE ION 著者 Kim, S.J, Woo, J.R, Hwang, Y.S, Jeong, D.G, Shin, D.H, Kim, K.H, Ryu, S.E. 登録日 2003-01-08 公開日 2003-03-25 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 The Tetrameric Structure of Haemophilus influenza Hybrid Prx5 Reveals Interactions between Electron Donor and Acceptor Proteins. J.Biol.Chem., 278, 2003
6ZLB	Thioredoxin glutathione reductase from Schistosoma mansoni in complex with Indole-3-carbinol 分子名称: 1~{H}-indol-3-ylmethanol, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. 登録日 2020-06-30 公開日 2021-05-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
6ZLP	Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Aminopiazthiole 分子名称: 2,1,3-benzothiadiazol-4-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ... 著者 Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. 登録日 2020-06-30 公開日 2021-05-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
6ZST	Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-methoxyquinoxalin-2-yl)propanoic acid 分子名称: 3-(3-methoxyquinoxalin-2-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. 登録日 2020-07-16 公開日 2021-05-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
6ZP3	Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 2-Methylindole-3-acetic acid 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid, CALCIUM ION, ... 著者 Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. 登録日 2020-07-08 公開日 2021-05-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021

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