PDB: 35881 件ウェブページステータス検索Chemie searchBIRD

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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
8PPW	Structure of human PARK7 in complex with GK16S 分子名称: (3~{S})-1-(iminomethyl)-~{N}-pent-4-ynyl-pyrrolidine-3-carboxamide, Parkinson disease protein 7 著者 Grethe, C, Gersch, M. 登録日 2023-07-10 公開日 2024-01-31 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1. Angew.Chem.Int.Ed.Engl., 63, 2024
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
5LP3	Three tetrameric rings of Isoaspartyl Dipeptidase fitted in an EM volume. 分子名称: Isoaspartyl dipeptidase 著者 Garcia-Seisdedos, H, Empereur-Mot, C, Elad, N, Levy, E.D. 登録日 2016-08-11 公開日 2017-07-26 最終更新日 2017-08-23 実験手法 ELECTRON MICROSCOPY (10.5 Å) 主引用文献 Proteins evolve on the edge of supramolecular self-assembly. Nature, 548, 2017
6HIJ	Cryo-EM structure of the human ABCG2-MZ29-Fab complex with cholesterol and PE lipids docked 分子名称: 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ATP-binding cassette sub-family G member 2, CHOLESTEROL, ... 著者 Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Taylor, N.M.I, Bause, M, Bauer, S, Bartholomaeus, R, Stahlberg, H, Bernhardt, G, Koenig, B, Buschauer, A, Altmann, K.H, Locher, K.P. 登録日 2018-08-30 公開日 2018-09-19 最終更新日 2019-12-11 実験手法 ELECTRON MICROSCOPY (3.56 Å) 主引用文献 Structural basis of small-molecule inhibition of human multidrug transporter ABCG2. Nat.Struct.Mol.Biol., 25, 2018
8PLE	Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 15. 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea, 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 (1.94 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
8PLY	Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 35. 分子名称: 4-({[(thiophen-2-yl)methyl]amino}methyl)phenol, 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 (2.43 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
6L8I	Crystal structure of CYP97A3 mutant S290D/W300L/S304V 分子名称: PROTOPORPHYRIN IX CONTAINING FE, Protein LUTEIN DEFICIENT 5, chloroplastic 著者 Niu, G, Guo, Q, Liu, L. 登録日 2019-11-06 公開日 2020-06-10 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural basis for plant lutein biosynthesis from alpha-carotene. Proc.Natl.Acad.Sci.USA, 117, 2020
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 2024-10-16 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
7KNK	STRUCTURE OF HEN EGG-WHITE LYSOZYME grown with Kitchen recipe 分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION 著者 Fox, A.L, Mathews, I.I. 登録日 2020-11-04 公開日 2021-12-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 STRUCTURE OF HEN EGG-WHITE LYSOZYME grown with Kitchen recipe To Be Published
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
8PLS	Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 29. 分子名称: 1~{H}-indol-6-yl-(4-methylpiperazin-1-yl)methanone, 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 (1.8 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
8A9E	Lysozyme, 9-11 fs FEL pulses as determined by XTCAV 分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme 著者 Barends, T, Nass, K, Gorel, A, Schlichting, I. 登録日 2022-06-28 公開日 2023-07-12 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.665 Å) 主引用文献 Microcrystallization methods To Be Published
7KQV	Crystal Structure of aldehyde dehydrogenase (ChALDH) from Cladosporium herbarum 分子名称: Aldehyde dehydrogenase 著者 Lee, S.G, Jez, J.M. 登録日 2020-11-17 公開日 2021-11-24 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (3.18 Å) 主引用文献 Biochemical and clinical studies of putative allergens to assess what distinguishes them from other non-allergenic proteins in the same family. Transgenic Res, 31, 2022
8PL2	Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 3. 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)thiophene-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 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.88 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
8PLF	Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 16. 分子名称: 5-methoxy-1,3-benzothiazol-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 2024-10-16 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
7KRY	Co-crystal structure of alpha glucosidase with compound 11 分子名称: (1S,2S,3R,4S,5S)-5-({6-[(4-azido-2-nitrophenyl)amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, CALCIUM ION, ... 著者 Karade, S.S, Mariuzza, R.A. 登録日 2020-11-20 公開日 2021-12-01 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
8PUO	Structural determinants of cold-activity and glucose tolerance of a family 1 glycoside hydrolase (GH1) from Antarctic Marinomonas Ef 1 分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase 著者 Gourlay, L.J, Nardini, M. 登録日 2023-07-17 公開日 2024-03-06 最終更新日 2024-07-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural determinants of cold activity and glucose tolerance of a family 1 glycoside hydrolase (GH1) from Antarctic Marinomonas sp. ef1. Febs J., 291, 2024
6U0F	Neutron crystal structure of T4L L99AE 分子名称: CHLORIDE ION, Endolysin 著者 Cuneo, M.J, Myles, D.A, Li, L. 登録日 2019-08-14 公開日 2020-08-19 最終更新日 2024-04-03 実験手法 NEUTRON DIFFRACTION (2.053 Å), X-RAY DIFFRACTION 主引用文献 Solvent entry into cavities of T4 lysozyme. To be published
6U0P	Crystal structure of PieE, the flavin-dependent monooxygenase involved in the biosynthesis of piericidin A1 分子名称: 2,4-dichlorophenol 6-monooxygenase, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Shi, R, Manenda, M, Picard, M.-E. 登録日 2019-08-14 公開日 2020-03-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Structural analyses of the Group A flavin-dependent monooxygenase PieE reveal a sliding FAD cofactor conformation bridging OUT and IN conformations. J.Biol.Chem., 295, 2020
6HMT	Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 2 分子名称: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen Receptor, ... 著者 Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C. 登録日 2018-09-12 公開日 2019-02-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers. J. Am. Chem. Soc., 141, 2019
6BAX	Lactate Dehydrogenase in complex with inhibitor 6-(3-aminophenyl)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one 分子名称: (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ... 著者 Ultsch, M, Eigenbrot, C. 登録日 2017-10-16 公開日 2018-10-24 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
351D	X-RAY CRYSTAL STRUCTURES OF THE HEXAMER DCACGCG: CRYSTALS GROWN IN THE PRESENCE OF RUTHENIUM (II) HEXAMMINE CHLORIDE 分子名称: DNA (5'-D(*CP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*G)-3') 著者 Karthe, P, Gautham, N. 登録日 1997-08-30 公開日 1997-09-30 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Structure of d(CACGCG).d(CGCGTG) in crystals grown in the presence of ruthenium III hexammine chloride. Acta Crystallogr.,Sect.D, 54, 1998
6LGJ	Crystal structure of an oxido-reductase 分子名称: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Yang, Y, Lei, J, Yin, L. 登録日 2019-12-05 公開日 2020-12-09 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of an oxido-reductase To be published
8ABX	Crystal structure of IDO1 in complex with Apoxidole-1 分子名称: Indoleamine 2,3-dioxygenase 1, O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl)sulfonylamino]pent-2-ene-1,2,5-tricarboxylate, O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate, ... 著者 Dotsch, L, Ziegler, S, Waldmann, H, Gasper, R. 登録日 2022-07-05 公開日 2022-08-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Identification of a Novel Pseudo-Natural Product Type IV IDO1 Inhibitor Chemotype. Angew.Chem.Int.Ed.Engl., 61, 2022

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