PDB: 243911 件ウェブページステータス検索Chemie searchBIRD

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8UYP	SARS-CoV-1 5' proximal stem-loop 5 分子名称: SARS-CoV-1 5' proximal stem-loop 5 著者 Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R. 登録日 2023-11-13 公開日 2023-12-20 最終更新日 2024-03-13 実験手法 ELECTRON MICROSCOPY (7.1 Å) 主引用文献 Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses. Proc.Natl.Acad.Sci.USA, 121, 2024
7OKE	Crystal structure of human BCL6 BTB domain in complex with compound 2 分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2021-05-17 公開日 2021-12-08 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket. J.Med.Chem., 64, 2021
7OKF	Crystal structure of human BCL6 BTB domain in complex with compound 8c 分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2021-05-17 公開日 2021-12-08 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket. J.Med.Chem., 64, 2021
7OKD	Crystal structure of human BCL6 BTB domain in complex with compound 25 分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein, ... 著者 Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2021-05-17 公開日 2021-12-08 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket. J.Med.Chem., 64, 2021
7OI1	Crystal structure of Synechocystis sp PCC6803 guanidinium hydrolase 分子名称: 1,2-ETHANEDIOL, CACODYLATE ION, CHLORIDE ION, ... 著者 Fleming, J.R, Mayans, O.M. 登録日 2021-05-11 公開日 2021-12-15 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of a Ni 2+ -dependent guanidine hydrolase in bacteria. Nature, 603, 2022
7OKH	Crystal structure of human BCL6 BTB domain in complex with compound 8f 分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2021-05-17 公開日 2021-12-08 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket. J.Med.Chem., 64, 2021
7OKG	Crystal structure of human BCL6 BTB domain in complex with compound 8e 分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2021-05-17 公開日 2021-12-08 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket. J.Med.Chem., 64, 2021
4W7R	Crystal Structure of Full-Length Split GFP Mutant E124H/K126H Copper Mediated Dimer, P 21 Space Group 分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, fluorescent protein E124H/K126C 著者 Leibly, D.J, Waldo, G.S, Yeates, T.O. 登録日 2014-08-22 公開日 2015-03-04 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A Suite of Engineered GFP Molecules for Oligomeric Scaffolding. Structure, 23, 2015
7OEY	Neisseria gonnorhoeae variant E93Q at 1.35 angstrom resolution 分子名称: GLYCEROL, SODIUM ION, SUCCINIC ACID, ... 著者 Rabe von Pappenheim, F, Wensien, M, Tittmann, K. 登録日 2021-05-04 公開日 2022-02-02 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Widespread occurrence of covalent lysine-cysteine redox switches in proteins. Nat.Chem.Biol., 18, 2022
7OJA	SaFtsZ(D210N) complexed with GDP 分子名称: 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. 登録日 2021-05-14 公開日 2022-03-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
7OJD	SaFtsZ(D46A) complexed with GDP 分子名称: 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. 登録日 2021-05-14 公開日 2022-03-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
7OMP	SaFtsZ complexed with GDPPCP and Mg2+ 分子名称: 1,2-ETHANEDIOL, Cell division protein FtsZ, MAGNESIUM ION, ... 著者 Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. 登録日 2021-05-24 公開日 2022-03-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
7OJC	SaFtsZ(Q48A) complexed with GDP 分子名称: 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. 登録日 2021-05-14 公開日 2022-03-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
7OMQ	SaFtsZ complexed with GDPPCP and Mn2+ 分子名称: 1,2-ETHANEDIOL, Cell division protein FtsZ, MANGANESE (II) ION, ... 著者 Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. 登録日 2021-05-24 公開日 2022-03-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
7OFI	Ligand complex of RORg LBD 分子名称: (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... 著者 Xue, Y, Aagaard, A, Narjes, F. 登録日 2021-05-05 公開日 2022-03-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.953 Å) 主引用文献 AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2. J.Med.Chem., 64, 2021
7NZ5	monomeric acetyl-CoA synthase with Zn at the proximal position of cluster A 分子名称: (R,R)-2,3-BUTANEDIOL, 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid, CITRIC ACID, ... 著者 Kreibich, J, Jeoung, J.H, Dobbek, H. 登録日 2021-03-23 公開日 2022-04-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Ligand binding at the Ni,Ni-[4Fe-4S] cluster of acetyl-CoA synthase To Be Published
7NYP	monomeric acetyl-CoA synthase in closed conformation 分子名称: 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid, CO-methylating acetyl-CoA synthase, DI(HYDROXYETHYL)ETHER, ... 著者 Kreibich, J, Jeoung, J.H, Dobbek, H. 登録日 2021-03-23 公開日 2022-04-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Ligand binding at the Ni,Ni-[4Fe-4S] cluster of acetyl-CoA synthase To Be Published
7OLB	Crystal structure of Pab-AGOG, an 8-oxoguanine DNA glycosylase from Pyrococcus abyssi 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ... 著者 Coste, F, Goffinont, S, Flament, D, Castaing, B. 登録日 2021-05-19 公開日 2022-06-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing. Nucleic Acids Res., 50, 2022
7OLU	Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-C-fucoside ligand 分子名称: (2-(4-(beta-L-fucopyranosylethynyl)phenyl)-2-methylpropan-1-amine, Lectin 著者 Bermeo, R, Varrot, A. 登録日 2021-05-20 公開日 2022-06-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.793 Å) 主引用文献 Targeting a Multidrug-Resistant Pathogen: First Generation Antagonists of Burkholderia cenocepacia 's BC2L-C Lectin. Acs Chem.Biol., 17, 2022
7OK8	Crystal structure of human carbonic anhydrase II with 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide 分子名称: 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2021-05-17 公開日 2022-06-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action. Eur.J.Med.Chem., 225, 2021
7NY9	CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 38 分子名称: 3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide, Branched-chain-amino-acid aminotransferase, cytosolic, ... 著者 Hillig, R.C. 登録日 2021-03-22 公開日 2022-11-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J.Med.Chem., 65, 2022
7NXN	CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 21(5-F) 分子名称: 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ... 著者 Hillig, R.C. 登録日 2021-03-19 公開日 2022-11-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J.Med.Chem., 65, 2022
7NYA	CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR BAY-069 (COMPOUND 36) 分子名称: 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione, Branched-chain-amino-acid aminotransferase, cytosolic, ... 著者 Hillig, R.C. 登録日 2021-03-22 公開日 2022-11-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J.Med.Chem., 65, 2022
7P51	CRYSTAL STRUCTURE OF THE SARS-COV-2 MAIN PROTEASE COMPLEXED WITH FRAGMENT F01 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide, ... 著者 Hanoulle, X, Moschidi, D. 登録日 2021-07-13 公開日 2021-10-06 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.474 Å) 主引用文献 NMR Spectroscopy of the Main Protease of SARS-CoV-2 and Fragment-Based Screening Identify Three Protein Hotspots and an Antiviral Fragment. Angew.Chem.Int.Ed.Engl., 60, 2021
7OQP	Crystal structure of the human METTL3-METTL14 complex with compound UOZ113 分子名称: ACETATE ION, N-[[(3R)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide, N6-adenosine-methyltransferase catalytic subunit, ... 著者 Bedi, R.K, Huang, D, Caflisch, A. 登録日 2021-06-03 公開日 2021-10-20 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023

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