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
 | | 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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4Y20
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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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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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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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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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8PEB
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8PW1
 | | Structure of human UCHL1 in complex with CG341 inhibitor | | 分子名称: | (2~{S})-4-(iminomethyl)-1-methyl-~{N}-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]piperazine-2-carboxamide, Ubiquitin carboxyl-terminal hydrolase isozyme L1 | | 著者 | Grethe, C, Gersch, M. | | 登録日 | 2023-07-19 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8PTR
 | | COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5r | | 分子名称: | (3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one, 1,2-ETHANEDIOL, Monoglyceride lipase | | 著者 | Butini, S, Benz, J, Grether, U, Leibrock, L, Papa, A, Maramai, S, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G. | | 登録日 | 2023-07-14 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization.
J.Med.Chem., 67, 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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8PEA
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8PHI
 | | Crystal structure of prefusion-stabilized RSV F Variant DS-Cav1 in complex with Lonafarnib | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, CALCIUM ION, ... | | 著者 | Rajak, M, Krey, T. | | 登録日 | 2023-06-19 | | 公開日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.289 Å) | | 主引用文献 | Drug repurposing screen identifies lonafarnib as respiratory syncytial virus fusion protein inhibitor.
Nat Commun, 15, 2024
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8PQP
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4XOU
 | | Crystal structure of the SR Ca2+-ATPase in the Ca2-E1-MgAMPPCP form determined by serial femtosecond crystallography using an X-ray free-electron laser. | | 分子名称: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | | 著者 | Bublitz, M, Nass, K, Drachmann, N.D, Markvardsen, A.J, Gutmann, M.J, Barends, T.R.M, Mattle, D, Shoeman, R.L, Doak, R.B, Boutet, S, Messerschmidt, M, Seibert, M.M, Williams, G.J, Foucar, L, Reinhard, L, Sitsel, O, Gregersen, J.L, Clausen, J.D, Boesen, T, Gotfryd, K, Wang, K.-T, Olesen, C, Moller, J.V, Nissen, P, Schlichting, I. | | 登録日 | 2015-01-16 | | 公開日 | 2015-06-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural studies of P-type ATPase-ligand complexes using an X-ray free-electron laser.
Iucrj, 2, 2015
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8PQR
 | | Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 WT bound to DAD_Immucillin-H | | 分子名称: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Nucleoside 2-deoxyribosyltransferase | | 著者 | Tang, P, Harding, C.J, Czekster, C.M. | | 登録日 | 2023-07-11 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.586 Å) | | 主引用文献 | Snapshots of the Reaction Coordinate of a Thermophilic 2'-Deoxyribonucleoside/ribonucleoside Transferase.
Acs Catalysis, 14, 2024
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8Q1S
 | | Pathogenic mutations of human phosphorylation sites affect protein-protein interactions | | 分子名称: | 1,2-ETHANEDIOL, 14-3-3 protein epsilon, BROMIDE ION, ... | | 著者 | Roske, Y, Daumke, O, Rrustemi, T, Selbach, M. | | 登録日 | 2023-08-01 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (3.23 Å) | | 主引用文献 | Pathogenic mutations of human phosphorylation sites affect protein-protein interactions.
Nat Commun, 15, 2024
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8QA8
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8PQT
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8PQS
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8PEH
 | | Crystal structure of Lotus japonicus SYMRK kinase domain D738N | | 分子名称: | 1,2-ETHANEDIOL, Receptor-like kinase SYMRK, SULFATE ION | | 著者 | Noergaard, M.M.M, Gysel, K, Hansen, S.B, Andersen, K.R. | | 登録日 | 2023-06-14 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Phosphorylation of the alpha-I motif in SYMRK drives root nodule organogenesis.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8Q8O
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8PXU
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