5IXL
 
 | | Structure of P. vulgaris HigB toxin Y91A variant | | 分子名称: | CHLORIDE ION, Endoribonuclease HigB | | 著者 | Schureck, M.A, Repack, A.A, Miles, S.J, Marquez, J, Dunham, C.M. | | 登録日 | 2016-03-23 | | 公開日 | 2016-07-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Mechanism of endonuclease cleavage by the HigB toxin.
Nucleic Acids Res., 44, 2016
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8PLL
 | | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 22. | | 分子名称: | 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea, 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 (1.85 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
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8PLW
 | | 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
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8PLV
 | | 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
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8PLB
 | | 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
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6UAP
 | | Crystal structure of tryptophan synthase from M. tuberculosis - open form with BRD6309 bound | | 分子名称: | (2R,3S,4R)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Chang, C, Michalska, K, Maltseva, N.I, Jedrzejczak, R, McCarren, P, Nag, P.P, Joachimiak, A, Satchell, K, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2019-09-11 | | 公開日 | 2019-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.745 Å) | | 主引用文献 | Crystal structure of tryptophan synthase from M. tuberculosis - open form with BRD6309 bound
To be Published
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8PLC
 | | 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
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8PLO
 | | 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
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8PLR
 | | 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
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8PLP
 | | 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
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7ZQP
 | | Tail tip of siphophage T5 : open cone after interaction with bacterial receptor FhuA | | 分子名称: | Probable baseplate hub protein, Probable tape measure protein | | 著者 | Linares, R, Arnaud, C.A, Effantin, G, Darnault, C, Epalle, N, Boeri Erba, E, Schoehn, G, Breyton, C. | | 登録日 | 2022-05-02 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-07-05 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structural basis of bacteriophage T5 infection trigger and E. coli cell wall perforation.
Sci Adv, 9, 2023
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7WM3
 | | hnRNP A2/B1 RRMs in complex with single-stranded DNA | | 分子名称: | DNA (5'-D(P*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), Heterogeneous nuclear ribonucleoproteins A2/B1 | | 著者 | Abula, A, Liu, Y, Guo, H, Li, T, Ji, X. | | 登録日 | 2022-01-14 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Structural Insight Into hnRNP A2/B1 Homodimerization and DNA Recognition.
J.Mol.Biol., 435, 2022
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8A7X
 | | NaK C-DI F92A mutant soaked in Cs+ | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CESIUM ION, POTASSIUM ION, ... | | 著者 | Minniberger, S, Plested, A.J.R. | | 登録日 | 2022-06-21 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
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4XK0
 | | Crystal structure of a tetramolecular RNA G-quadruplex in potassium | | 分子名称: | BARIUM ION, POTASSIUM ION, RNA (5'-(*UP*GP*GP*GP*GP*U)-3') | | 著者 | Chen, M.C, Murat, P, Abecassis, K.A, Ferre-D'Amare, A.R, Balasubramanian, S. | | 登録日 | 2015-01-09 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Insights into the mechanism of a G-quadruplex-unwinding DEAH-box helicase.
Nucleic Acids Res., 43, 2015
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7JIV
 | | The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder530 inhibitor | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, ... | | 著者 | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-07-23 | | 公開日 | 2020-08-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
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8TC0
 | | Cryo-EM Structure of Spike Glycoprotein from Bat Coronavirus WIV1 in Closed Conformation | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Bostina, M, Hills, F.R, Eruera, A. | | 登録日 | 2023-06-29 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (1.88 Å) | | 主引用文献 | Variation in structural motifs within SARS-related coronavirus spike proteins.
Plos Pathog., 20, 2024
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6XY2
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7LRR
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5J4K
 | | Structure of humanised RadA-mutant humRadA22F in complex with 1-Indane-6-carboxylic acid | | 分子名称: | 2,3-dihydro-1H-indene-2-carboxylic acid, CALCIUM ION, DNA repair and recombination protein RadA, ... | | 著者 | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2016-04-01 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.346 Å) | | 主引用文献 | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
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5JEC
 | | Apo-structure of humanised RadA-mutant humRadA33F | | 分子名称: | CHLORIDE ION, DNA repair and recombination protein RadA, SULFATE ION | | 著者 | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2016-04-18 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
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7ZK4
 | | The ABCB1 L335C mutant (mABCB1) in the outward facing state | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | | 登録日 | 2022-04-12 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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7JJ9
 | | Crystal structure of Zn(II)-bound AdcA from Streptococcus pneumoniae | | 分子名称: | CHLORIDE ION, ZINC ION, Zinc-binding lipoprotein AdcA | | 著者 | Luo, Z, More, J.R, Kobe, B, McDevitt, C.A. | | 登録日 | 2020-07-24 | | 公開日 | 2020-12-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | A Trap-Door Mechanism for Zinc Acquisition by Streptococcus pneumoniae AdcA.
Mbio, 12, 2021
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7LR5
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6HKR
 | | Human Cellular Retinoic Acid Binding Protein II (CRABPII) with bound synthetic retinoid DC271. | | 分子名称: | 1,2-ETHANEDIOL, 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 2, ... | | 著者 | Tomlinson, C, Chisholm, D, Whiting, A, Pohl, E. | | 登録日 | 2018-09-07 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Novel Fluorescence Competition Assay for Retinoic Acid Binding Proteins.
ACS Med Chem Lett, 9, 2018
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7JK8
 | | EmrE S64V mutant bound to tetra(4-fluorophenyl)phosphonium at pH 5.8 | | 分子名称: | Multidrug SMR transporter, tetrakis(4-fluorophenyl)phosphanium | | 著者 | Shcherbakov, A.A, Hisao, G, Mandala, V.S, Thomas, N.E, Soltani, M, Salter, E.A, Davis Jr, J.H, Henzler-Wildman, K.A, Hong, M. | | 登録日 | 2020-07-27 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLID-STATE NMR | | 主引用文献 | Structure and dynamics of the drug-bound bacterial transporter EmrE in lipid bilayers.
Nat Commun, 12, 2021
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