PDB: 35415 件ウェブページステータス検索Chemie searchBIRD

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8GE2	CryoEM structure of beta-2-adrenergic receptor in complex with nucleotide-free Gs heterotrimer (#3 of 20) 分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Papasergi-Scott, M.M, Skiniotis, G. 登録日 2023-03-06 公開日 2024-03-06 最終更新日 2024-06-12 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 Time-resolved cryo-EM of G-protein activation by a GPCR. Nature, 629, 2024
5NE5	Crystal structure of family 47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with kifunensine 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, KIFUNENSINE, ... 著者 Males, A, Davies, G.J. 登録日 2017-03-09 公開日 2017-03-29 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Conformational Analysis of the Mannosidase Inhibitor Kifunensine: A Quantum Mechanical and Structural Approach. Chembiochem, 18, 2017
5UUO	Crystal structure of SARO_2595 from Novosphingobium aromaticivorans 分子名称: 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase-like protein, ... 著者 Bingman, C.A, Kontur, W.S, Olmsted, C.N, Fox, B.G, Donohue, T.J. 登録日 2017-02-17 公開日 2018-02-28 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Novosphingobium aromaticivoransuses a Nu-class glutathioneS-transferase as a glutathione lyase in breaking the beta-aryl ether bond of lignin. J. Biol. Chem., 293, 2018
3ZLD	Crystal structure of Toxoplasma gondii sporozoite AMA1 in complex with a 36 aa region of sporozoite RON2 分子名称: APICAL MEMBRANE ANTIGEN 1, RHOPTRY NECK PROTEIN 2 著者 Tonkin, M.L, Boulanger, M.J. 登録日 2013-01-30 公開日 2013-08-28 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Toxoplasma Gondii Sporozoites Invade Host Cells Using Two Novel Paralogs of Ron2 and Ama1 Plos One, 8, 2013
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
3ZNU	Crystal structure of ClcF in crystal form 2 分子名称: 1,2-ETHANEDIOL, 5-CHLOROMUCONOLACTONE DEHALOGENASE, CHLORIDE ION, ... 著者 Roth, C, Groening, J.A.D, Kaschabek, S.R, Schloemann, M, Straeter, N. 登録日 2013-02-18 公開日 2013-02-27 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Crystal Structure and Catalytic Mechanism of Chloromuconolactone Dehalogenase Clcf from Rhodococcus Opacus 1Cp. Mol.Microbiol., 88, 2013
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
5V3M	mouseZFP568-ZnF1-11 in complex with DNA 分子名称: DNA (28-MER), ZINC ION, Zinc finger protein 568 著者 Patel, A, Cheng, X. 登録日 2017-03-07 公開日 2018-03-07 最終更新日 2019-09-18 実験手法 X-RAY DIFFRACTION (2.091 Å) 主引用文献 DNA Conformation Induces Adaptable Binding by Tandem Zinc Finger Proteins. Cell, 173, 2018
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
8ESM	Human triacylglycerol synthesizing enzyme DGAT1 in complex with T863 inhibitor 分子名称: Diacylglycerol O-acyltransferase 1, {(1r,4r)-4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid 著者 Sui, X, Kun, W, Walther, T, Farese, R, Liao, M. 登録日 2022-10-14 公開日 2023-06-07 最終更新日 2024-06-19 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Mechanism of action for small-molecule inhibitors of triacylglycerol synthesis. Nat Commun, 14, 2023
4SLI	LEECH INTRAMOLECULAR TRANS-SIALIDASE COMPLEXED WITH 2-PROPENYL-NEU5AC, AN INACTIVE SUBSTRATE ANALOGUE 分子名称: 2-propenyl-N-acetyl-neuraminic acid, INTRAMOLECULAR TRANS-SIALIDASE 著者 Luo, Y, Li, S.C, Li, Y.T, Luo, M. 登録日 1998-10-04 公開日 1999-05-25 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The 1.8 A structures of leech intramolecular trans-sialidase complexes: evidence of its enzymatic mechanism. J.Mol.Biol., 285, 1999
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
6D1Q	Crystal structure of E. coli RppH-DapF complex, monomer 分子名称: CHLORIDE ION, Diaminopimelate epimerase, GLYCEROL, ... 著者 Gao, A, Serganov, A. 登録日 2018-04-12 公開日 2018-05-23 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structural and kinetic insights into stimulation of RppH-dependent RNA degradation by the metabolic enzyme DapF. Nucleic Acids Res., 46, 2018
8ETM	Human triacylglycerol synthesizing enzyme DGAT1 in complex with DGAT1IN1 inhibitor 分子名称: Diacylglycerol O-acyltransferase 1, [(1S,4r)-4-{4-[(4S)-2-({[4-(trifluoromethoxy)phenyl]methyl}carbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl}cyclohexyl]acetic acid 著者 Sui, X, Kun, W, Walther, T, Farese, R, Liao, M. 登録日 2022-10-17 公開日 2023-06-07 最終更新日 2024-06-19 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Mechanism of action for small-molecule inhibitors of triacylglycerol synthesis. Nat Commun, 14, 2023
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
6CWJ	Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with 1,3-Acetone Dicarboxylic Acid 分子名称: 1,3-PROPANDIOL, 3-oxopentanedioic acid, ACETATE ION, ... 著者 Shi, K, Aihara, H. 登録日 2018-03-30 公開日 2019-06-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.253 Å) 主引用文献 Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis. Plos One, 14, 2019
5NEW	RNA-RNA base stacking in the crystal structure of an Hfq6:RNA dimer 分子名称: RNA (5'-R(P*AP*AP*AP*AP*AP*A)-3'), RNA (5'-R(P*UP*U)-3'), RNA-binding protein Hfq, ... 著者 Schulz, E.C, Barabas, O. 登録日 2017-03-12 公開日 2017-10-04 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.511 Å) 主引用文献 Intermolecular base stacking mediates RNA-RNA interaction in a crystal structure of the RNA chaperone Hfq. Sci Rep, 7, 2017
4TKM	Crystal structure of NADH-dependent reductase A1-R' complexed with NAD 分子名称: NADH-dependent reductase for 4-deoxy-L-erythro-5-hexoseulose uronate, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION 著者 Takase, R, Mikami, B, Kawai, S, Murata, K, Hashimoto, W. 登録日 2014-05-27 公開日 2014-06-25 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.67 Å) 主引用文献 Structure-based Conversion of the Coenzyme Requirement of a Short-chain Dehydrogenase/Reductase Involved in Bacterial Alginate Metabolism. J.Biol.Chem., 289, 2014
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
5UX5	Structure of Proline Utilization A (PutA) from Corynebacterium freiburgense 分子名称: BIFUNCTIONAL PROTEIN Proline utilization A (PutA), FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Tanner, J.J. 登録日 2017-02-22 公開日 2017-04-26 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structure and characterization of a class 3B proline utilization A: Ligand-induced dimerization and importance of the C-terminal domain for catalysis. J. Biol. Chem., 292, 2017
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
5V5W	Molecular Mechanism of MDGA1: Regulation of Neuroligin 2:Neurexin Trans-synaptic Bridges 分子名称: MAM domain-containing glycosylphosphatidylinositol anchor protein 1, SULFATE ION 著者 Machius, M, Gangwar, S.P, Rudenko, G. 登録日 2017-03-15 公開日 2017-07-05 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.718 Å) 主引用文献 Molecular Mechanism of MDGA1: Regulation of Neuroligin 2:Neurexin Trans-synaptic Bridges. Neuron, 94, 2017
3OHT	Crystal Structure of Salmo Salar p38alpha 分子名称: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, SULFATE ION, p38a 著者 Rothweiler, U, Johnson, K, Engh, R.A. 登録日 2010-08-18 公開日 2011-06-29 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 p38alpha MAP kinase dimers with swapped activation segments and a novel catalytic loop conformation J.Mol.Biol., 411, 2011

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