PDB: 30867 件ウェブページステータス検索Chemie searchBIRD

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7KO2	Restraining state of near full-length Hsp70 DnaK 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK, MAGNESIUM ION, ... 著者 Wang, W, Hendrickson, W.A. 登録日 2020-11-06 公開日 2021-09-15 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.64 Å) 主引用文献 Conformational equilibria in allosteric control of Hsp70 chaperones. Mol.Cell, 81, 2021
6XZO	Crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((4-bromo-2-hydroxybenzyl)amino)ethyl)ureido) benzenesulfonamide 分子名称: 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION 著者 Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. 登録日 2020-02-05 公開日 2020-09-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
5UQ0	FGFR1 kinase domain complex with fragment 2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxamide 分子名称: 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide, Fibroblast growth factor receptor 1 著者 Paik, W.-K, Squire, C.J. 登録日 2017-02-05 公開日 2017-02-22 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Fragment screening diverse active sites To Be Published
7Q6V	Crystal structure of the bromodomain of ATAD2 with triazolopyridine (cpd 14) 分子名称: (1R,9S)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION 著者 Patel, S.J, Winter-Holt, J.J. 登録日 2021-11-09 公開日 2022-01-19 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models. J.Med.Chem., 65, 2022
6BJB	Crystal structure of Acat2-C91S thiolase from Ascaris suum in complex with propionyl-CoA and nitrate 分子名称: Acetyl-CoA acetyltransferase A, NITRATE ION, propionyl Coenzyme A 著者 Blaisse, M.R, Fu, B, Chang, M.C.Y. 登録日 2017-11-05 公開日 2018-02-07 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.50000632 Å) 主引用文献 Structural and Biochemical Studies of Substrate Selectivity in Ascaris suum Thiolases. Biochemistry, 57, 2018
6Y01	The structure of the molybdenum cofactor binding protein from the phototrophic bacterium Rippkaea orientalis 分子名称: CHLORIDE ION, IMIDAZOLE, p450 cytochrome, ... 著者 Krausze, J. 登録日 2020-02-05 公開日 2020-09-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.23 Å) 主引用文献 The structure of the Moco carrier protein from Rippkaea orientalis. Acta Crystallogr.,Sect.F, 76, 2020
7KRU	Stimulating state of a truncated Hsp70 DnaK fused with a substrate peptide 分子名称: 1,3-PROPANDIOL, ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK fused with substrate peptide, ... 著者 Wang, W, Hendrickson, W.A. 登録日 2020-11-20 公開日 2021-09-15 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Conformational equilibria in allosteric control of Hsp70 chaperones. Mol.Cell, 81, 2021
8AJQ	Crystal structure of PA2722 from Pseudomonas aeruginosa PAO1 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CENP-V/GFA domain-containing protein, GLYCEROL, ... 著者 Popp, M.A, Blankenfeldt, W. 登録日 2022-07-28 公開日 2022-10-05 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Structure of PA2722 from P. aeruginosa PAO1 To Be Published
6FFH	Crystal Structure of mGluR5 in complex with Fenobam at 2.65 A 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{H}-imidazol-2-yl)urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... 著者 Christopher, J.A, Orgovan, Z, Congreve, M, Dore, A.S, Errey, J.C, Marshall, F.H, Mason, J.S, Okrasa, K, Rucktooa, P, Serrano-Vega, M.J, Ferenczy, G.G, Keseru, G.M. 登録日 2018-01-08 公開日 2018-03-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X-ray Structures. J.Med.Chem., 62, 2019
5UWF	Crystal structure of human PDE10A in complex with inhibitor 16d 分子名称: 9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, MAGNESIUM ION, ZINC ION, ... 著者 Xu, R, Cedervall, E.P, Sridhar, V, Barker, R, Aertgeerts, K. 登録日 2017-02-21 公開日 2017-04-26 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties. J. Med. Chem., 60, 2017
6Y1J	14-3-3 sigma in complex with IkappaBalpha pS63 peptide 分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2020-02-12 公開日 2020-03-04 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.127 Å) 主引用文献 Interaction of an I kappa B alpha Peptide with 14-3-3. Acs Omega, 5, 2020
6Q8Z	Structure of human galactokinase 1 bound with N-(Cyclobutylmethyl)-1,5-dimethyl-1H-pyrazole-4-carboxamide 分子名称: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ... 著者 Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. 登録日 2018-12-16 公開日 2019-01-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure of human galactokinase 1 bound with N-(Cyclobutylmethyl)-1,5-dimethyl-1H-pyrazole-4-carboxamide To Be Published
6JHM	Crystal structure of Flavin-dependent Monooxygenase HadA 分子名称: Chlorophenol monooxygenase 著者 Jaruwat, A, Pimviriyakul, P, Chitnumsub, P, Chaiyen, P. 登録日 2019-02-18 公開日 2019-11-06 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Identification of a Hotspot Residue for Improving the Thermostability of a Flavin-Dependent Monooxygenase. Chembiochem, 20, 2019
6FFX	Crystal structure of R. ruber ADH-A, mutant F43H 分子名称: Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION 著者 Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. 登録日 2018-01-09 公開日 2018-02-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Directed Evolution of Alcohol Dehydrogenase for Improved Stereoselective Redox Transformations of 1-Phenylethane-1,2-diol and Its Corresponding Acyloin. Biochemistry, 57, 2018
7KRV	Stimulating state of disulfide-bridged Hsp70 DnaK 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK fused with substrate peptide, MAGNESIUM ION, ... 著者 Wang, W, Hendrickson, W.A. 登録日 2020-11-20 公開日 2021-09-15 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Conformational equilibria in allosteric control of Hsp70 chaperones. Mol.Cell, 81, 2021
6PVC	Structure of human MAIT A-F7 TCR in complex with human MR1-DB28 分子名称: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ... 著者 Awad, W, Rossjohn, J. 登録日 2019-07-20 公開日 2020-04-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Ligand-dependent downregulation of MR1 cell surface expression. Proc.Natl.Acad.Sci.USA, 117, 2020
6Y22	RING-DTC domains of Deltex 2, Form 1 分子名称: Probable E3 ubiquitin-protein ligase DTX2, ZINC ION 著者 Gabrielssen, M, Buetow, L, Huang, D.T. 登録日 2020-02-14 公開日 2020-09-02 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.069 Å) 主引用文献 DELTEX2 C-terminal domain recognizes and recruits ADP-ribosylated proteins for ubiquitination. Sci Adv, 6, 2020
6Q9C	Crystal structure of Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF bound to NADH under anaerobic conditions 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... 著者 Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. 登録日 2018-12-17 公開日 2019-06-26 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
6Q9G	Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129D and NuoF bound to NADH 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... 著者 Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. 登録日 2018-12-18 公開日 2019-06-26 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
7KRT	Restraining state of a truncated Hsp70 DnaK 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK, MAGNESIUM ION 著者 Wang, W, Hendrickson, W.A. 登録日 2020-11-20 公開日 2021-09-15 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.79 Å) 主引用文献 Conformational equilibria in allosteric control of Hsp70 chaperones. Mol.Cell, 81, 2021
6Y2J	Crystal structure of M. tuberculosis KasA in complex with 4,4,4-trifluoro-N-(isoquinolin-6-yl)butane-1-sulfonamide 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide, SODIUM ION, ... 著者 Chung, C. 登録日 2020-02-16 公開日 2020-04-08 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.886 Å) 主引用文献 Exploring the SAR of the beta-Ketoacyl-ACP Synthase Inhibitor GSK3011724A and Optimization around a Genotoxic Metabolite. Acs Infect Dis., 6, 2020
7KSN	Crystal Structure of Sugarwin 分子名称: Sugarwin 著者 Maia, L.B.L, Pereira, H.M, Henrique-Silva, F, Garratt, R.C, Silva Filho, M.C. 登録日 2020-11-23 公開日 2021-09-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Structural and Evolutionary Analyses of PR-4 SUGARWINs Points to a Different Pattern of Protein Function Frontiers in Plant Science, 12, 2021
6Q9J	Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129S and NuoF bound to NADH 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... 著者 Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. 登録日 2018-12-18 公開日 2019-06-26 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
6FGJ	Crystal structure of the small alarmone synthethase 2 from Staphylococcus aureus 分子名称: GTP pyrophosphokinase, TRIETHYLENE GLYCOL 著者 Bange, G, Steinchen, W, Vogt, M, Altegoer, F. 登録日 2018-01-11 公開日 2018-02-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.251 Å) 主引用文献 Structural and mechanistic divergence of the small (p)ppGpp synthetases RelP and RelQ. Sci Rep, 8, 2018
6BO7	Crystal structure of Plasmodium vivax hypoxanthine guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine 分子名称: Hypoxanthine phosphoribosyltransferase, MAGNESIUM ION, [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid 著者 Guddat, L.W, Keough, D.T, Rejman, D. 登録日 2017-11-18 公開日 2017-12-13 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.856 Å) 主引用文献 Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics. ACS Chem. Biol., 13, 2018

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