8PLA
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![BU of 8pla by Molmil](/molmil-images/mine/8pla) | 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 | 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
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8PL9
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![BU of 8pl9 by Molmil](/molmil-images/mine/8pl9) | 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
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8PLN
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![BU of 8pln by Molmil](/molmil-images/mine/8pln) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 24. | 分子名称: | 6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile, 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 (2.8 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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8PLL
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![BU of 8pll by Molmil](/molmil-images/mine/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
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![BU of 8plw by Molmil](/molmil-images/mine/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
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![BU of 8plv by Molmil](/molmil-images/mine/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
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![BU of 8plb by Molmil](/molmil-images/mine/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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8PLC
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![BU of 8plc by Molmil](/molmil-images/mine/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
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![BU of 8plo by Molmil](/molmil-images/mine/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
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![BU of 8plr by Molmil](/molmil-images/mine/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
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![BU of 8plp by Molmil](/molmil-images/mine/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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4DMX
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![BU of 4dmx by Molmil](/molmil-images/mine/4dmx) | Cathepsin K inhibitor | 分子名称: | (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL | 著者 | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | 登録日 | 2012-02-08 | 公開日 | 2012-07-11 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
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4DMY
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![BU of 4dmy by Molmil](/molmil-images/mine/4dmy) | Cathepsin K inhibitor | 分子名称: | (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ... | 著者 | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | 登録日 | 2012-02-08 | 公開日 | 2012-07-11 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
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3O5S
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![BU of 3o5s by Molmil](/molmil-images/mine/3o5s) | Crystal Structure of the endo-beta-1,3-1,4 glucanase from Bacillus subtilis (strain 168) | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucanase, CALCIUM ION | 著者 | Santos, C.R, Tonoli, C.C.C, Souza, A.R, Furtado, G.P, Ribeiro, L.F, Ward, R.J, Murakami, M.T. | 登録日 | 2010-07-28 | 公開日 | 2011-07-13 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Biochemical and structural characterization of a Beta-1,3 1,4-glucanase from Bacillus subtilis 168 PROCESS BIOCHEM, 46, 2011
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