PDB: 41522 件ウェブページステータス検索Chemie searchBIRD

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8OQQ	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-79 分子名称: 2-fluoranyl-5-sulfo-benzoic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
6Q2Z	NMR solution structure of the HVO_2922 protein from Haloferax volcanii 分子名称: UPF0339 family protein 著者 Kubatova, N, Jonker, H.R.A, Saxena, K, Richter, C, Marchfelder, A, Schwalbe, H. 登録日 2018-12-03 公開日 2019-06-12 最終更新日 2024-07-03 実験手法 SOLUTION NMR 主引用文献 Solution Structure and Dynamics of the Small Protein HVO_2922 from Haloferax volcanii. Chembiochem, 21, 2020
8OQS	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-83 分子名称: 3-hydroxyacyl-CoA dehydrogenase, 4-phenylbenzenesulfonic acid, GLYCEROL, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
7W85	Structural of the filamentous Escherichia coli glutamine synthetase 分子名称: Glutamine synthetase, NICKEL (II) ION 著者 Huang, P.-C, Chen, S.-K, Wu, K.-P. 登録日 2021-12-07 公開日 2022-04-06 最終更新日 2024-06-26 実験手法 ELECTRON MICROSCOPY (2.94 Å) 主引用文献 Structural basis for the helical filament formation of Escherichia coli glutamine synthetase. Protein Sci., 31, 2022
8OQV	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-109 分子名称: 3-hydroxyacyl-CoA dehydrogenase, 4-nitrobenzenesulfonic acid, GLYCEROL, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
8OQR	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-80 分子名称: 3-hydroxyacyl-CoA dehydrogenase, 4-cyanobenzenesulfonic acid, GLYCEROL, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
8OQP	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-76 分子名称: 2-azanyl-5-sulfo-benzoic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
6Q38	The Crystal structure of CK2a bound to P1-C4 分子名称: 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, BENZOIC ACID, Casein kinase II subunit alpha, ... 著者 Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M. 登録日 2018-12-03 公開日 2019-04-24 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction. Chem Sci, 10, 2019
4RYT	Crystal Structure of F222 form of E112A Mutant of Stationary Phase Survival Protein (SurE) from Salmonella typhimurium 分子名称: 1,2-ETHANEDIOL, 5'/3'-nucleotidase SurE, MAGNESIUM ION, ... 著者 Mathiharan, Y.K, Murthy, M.R.N. 登録日 2014-12-17 公開日 2015-09-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Insights into stabilizing interactions in the distorted domain-swapped dimer of Salmonella typhimurium survival protein. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
6Q4Q	The Crystal structure of CK2a bound to P2-C4 分子名称: 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, ACETATE ION, BENZOIC ACID, ... 著者 Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M. 登録日 2018-12-06 公開日 2019-04-24 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction. Chem Sci, 10, 2019
7W8G	Cryo-EM structure of MCM double hexamer 分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ... 著者 Cheng, J, Li, N, Tye, B, Zhai, Y, Gao, N. 登録日 2021-12-07 公開日 2022-04-13 実験手法 ELECTRON MICROSCOPY (2.52 Å) 主引用文献 Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase. Nat Commun, 13, 2022
1GUY	Structural Basis for Thermophilic Protein Stability: Structures of Thermophilic and Mesophilic Malate Dehydrogenases 分子名称: CADMIUM ION, MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Dalhus, B, Sarinen, M, Sauer, U.H, Eklund, P, Johansson, K, Karlsson, A, Ramaswamy, S, Bjork, A, Synstad, B, Naterstad, K, Sirevag, R, Eklund, H. 登録日 2002-02-04 公開日 2002-02-15 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural Basis for Thermophilic Protein Stability: Structures of Thermophilic and Mesophilic Malate Dehydrogenases J.Mol.Biol., 318, 2002
8OQU	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-92 分子名称: 3-hydroxyacyl-CoA dehydrogenase, 4-chloranylbenzenesulfonic acid, GLYCEROL, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.89 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
8PDD	Thioredoxin glutathione reductase of Schistosoma mansoni at 1.25A resolution. 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... 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 2023-06-12 公開日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.25 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
8PLQ	Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 27. 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-(1-ethylbenzimidazol-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 (2.29 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
8PL7	Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 8. 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide 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 (1.77 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
8PL6	Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 7. 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-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 (1.81 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
8PLM	Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 23. 分子名称: 1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one, 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 (1.95 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
8PLD	Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 14. 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-Benzyl-2-methoxyacetamide, 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
8PLU	Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 31. 分子名称: 4-propan-2-yl-~{N}-pyridin-2-yl-benzamide, 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 (2.04 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
8PLX	Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 34. 分子名称: 4-(4-fluorophenyl)piperazine-1-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 (1.77 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
8PL1	Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 2. 分子名称: 5-(methoxymethyl)-1,3,4-thiadiazol-2-amine, 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 最終更新日 2024-05-01 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
7R86	Structure of mouse BAI1 (ADGRB1) in complex with mouse Nogo receptor (RTN4R) 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AMINOBENZOIC ACID, ... 著者 Miao, Y, Jude, K.M, Garcia, K.C. 登録日 2021-06-26 公開日 2021-11-10 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development. Cell, 184, 2021
8PL8	Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 9. 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-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 (2.35 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
8PLG	Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 17. 分子名称: 2-(4-ethoxyphenyl)ethanoic acid, 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 (1.75 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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