PDB: 82129 件ウェブページステータス検索Chemie searchBIRD

---

4E46	Structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA in complex with 2-propanol 分子名称: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ... 著者 Stsiapanava, A, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I. 登録日 2012-03-12 公開日 2013-03-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Expansion of access tunnels and active-site cavities influence activity of haloalkane dehalogenases in organic cosolvents. Chembiochem, 14, 2013
7E48	Crystal structure of InhA in complex with 3-nitropropanoic acid inhibitor 分子名称: 3-NITROPROPANOIC ACID, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ... 著者 Songsiriritthigul, C, Hanwarinroj, C, Suttipanta, N, Kamsri, P, Kittakoop, P, Pungpo, P. 登録日 2021-02-10 公開日 2021-11-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Inhibition of Mycobacterium tuberculosis InhA by 3-nitropropanoic acid. Proteins, 90, 2022
1II2	Crystal Structure of Phosphoenolpyruvate Carboxykinase (PEPCK) from Trypanosoma cruzi 分子名称: PHOSPHOENOLPYRUVATE CARBOXYKINASE, SULFATE ION 著者 Trapani, S, Linss, J, Goldenberg, S, Fischer, H, Craievich, A.F, Oliva, G. 登録日 2001-04-20 公開日 2001-11-21 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of the dimeric phosphoenolpyruvate carboxykinase (PEPCK) from Trypanosoma cruzi at 2 A resolution. J.Mol.Biol., 313, 2001
8SON	Crystal structure of macrophage migration inhibitory factor in complex with N-[3-(Trifluoromethyl)phenyl]-3-(2-chloroanilino)-2-cyano-3-thioxopropanamide 分子名称: (2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide, GLYCEROL, Macrophage migration inhibitory factor, ... 著者 Pantouris, G, Lolis, E. 登録日 2023-04-28 公開日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Crystal structure of the macrophage migration inhibitory factor in complex with N-[3-(Trifluoromethyl)phenyl]-3-(2-chloroanilino)-2-cyano-3-thioxopropanamide To Be Published
6APS	Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with [(2-((Guanine-9H-yl)methyl)propane-1,3 diyl)bis(oxy)]bis(methylene))diphosphonic acid 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Hypoxanthine-guanine phosphoribosyltransferase, ... 著者 Teran, D, Guddat, L.W. 登録日 2017-08-17 公開日 2018-03-14 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.762 Å) 主引用文献 Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery. PLoS Negl Trop Dis, 12, 2018
4FWB	Structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant DhaA31 in complex with 1, 2, 3 - trichloropropane 分子名称: 1,2,3-trichloropropane, CHLORIDE ION, Haloalkane dehalogenase 著者 Lahoda, M, Stsiapanava, A, Mesters, J, Kuta Smatanova, I. 登録日 2012-06-30 公開日 2012-09-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Crystallographic analysis of 1,2,3-trichloropropane biodegradation by the haloalkane dehalogenase DhaA31. Acta Crystallogr.,Sect.D, 70, 2014
5O36	Japanese encephalitis virus non-structural protein 1' C-terminal domain 分子名称: Japanese encephalitis virus non-structural protein 1' (NS1'),Japanese encephalitis virus non-structural protein 1' (NS1'), N-PROPANOL, SULFATE ION 著者 Thanalai, P, Wright, G.S.A, Antonyuk, S.V. 登録日 2017-05-23 公開日 2018-01-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural Study of the C-Terminal Domain of Nonstructural Protein 1 from Japanese Encephalitis Virus. J. Virol., 92, 2018
2B00	Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Glycocholate 分子名称: CALCIUM ION, GLYCOCHOLIC ACID, Phospholipase A2, ... 著者 Pan, Y.H, Bahnson, B.J, Jain, M.K. 登録日 2005-09-12 公開日 2006-11-14 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural basis for bile salt inhibition of pancreatic phospholipase A2. J.Mol.Biol., 369, 2007
2B04	Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Glycochenodeoxycholate 分子名称: CALCIUM ION, CHLORIDE ION, GLYCOCHENODEOXYCHOLIC ACID, ... 著者 Pan, Y.H, Bahnson, B.J, Jain, M.K. 登録日 2005-09-12 公開日 2006-11-14 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural basis for bile salt inhibition of pancreatic phospholipase A2. J.Mol.Biol., 369, 2007
2AZZ	Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurocholate 分子名称: CALCIUM ION, CHLORIDE ION, Phospholipase A2, ... 著者 Pan, Y.H, Bahnson, B.J, Jain, M.K. 登録日 2005-09-12 公開日 2006-11-14 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural basis for bile salt inhibition of pancreatic phospholipase A2. J.Mol.Biol., 369, 2007
2B03	Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate 分子名称: CALCIUM ION, Phospholipase A2, major isoenzyme, ... 著者 Pan, Y.H, Bahnson, B.J, Jain, M.K. 登録日 2005-09-12 公開日 2006-11-14 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural basis for bile salt inhibition of pancreatic phospholipase A2. J.Mol.Biol., 369, 2007
2B01	Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate 分子名称: CALCIUM ION, CHLORIDE ION, Phospholipase A2, ... 著者 Pan, Y.H, Bahnson, B.J, Jain, M.K. 登録日 2005-09-12 公開日 2006-11-14 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural basis for bile salt inhibition of pancreatic phospholipase A2. J.Mol.Biol., 369, 2007
2AZY	Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Cholate 分子名称: CALCIUM ION, CHOLIC ACID, Phospholipase A2, ... 著者 Pan, Y.H, Bahnson, B.J, Jain, M.K. 登録日 2005-09-12 公開日 2006-11-14 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis for bile salt inhibition of pancreatic phospholipase A2. J.Mol.Biol., 369, 2007
6VG7	De novo designed Rossmann fold protein ROS2_49223 分子名称: De novo designed protein RO2_25 著者 Pan, X, Zhang, Y, Kelly, M, Kortemme, T. 登録日 2020-01-07 公開日 2020-08-19 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Expanding the space of protein geometries by computational design of de novo fold families. Science, 369, 2020
6VGA	De novo designed Rossmann fold protein ROS2_835 分子名称: De novo designed protein RO2_1 著者 Pan, X, Zhang, Y, Kelly, M, Kortemme, T. 登録日 2020-01-07 公開日 2020-08-19 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Expanding the space of protein geometries by computational design of de novo fold families. Science, 369, 2020
6VGB	De novo designed Rossmann fold protein ROS2_36830 分子名称: De novo designed protein RO2_20 著者 Pan, X, Zhang, Y, Kelly, M, Kortemme, T. 登録日 2020-01-07 公開日 2020-08-19 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Expanding the space of protein geometries by computational design of de novo fold families. Science, 369, 2020
6RB5	Trypanothione reductase in complex with 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide 分子名称: 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... 著者 Ilari, A, Fiorillo, A, Battista, T, Mocci, S. 登録日 2019-04-09 公開日 2020-05-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.977 Å) 主引用文献 Spiro-containing derivatives show antiparasitic activity against Trypanosoma brucei through inhibition of the trypanothione reductase enzyme. Plos Negl Trop Dis, 14, 2020
6RLV	Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine 分子名称: 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine, GLYCEROL, MALONATE ION, ... 著者 Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. 登録日 2019-05-02 公開日 2020-01-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
6RLU	Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine 分子名称: 5'-O-(N-(L-seryl)-sulfamoyl)cytidine, GLYCEROL, MALONATE ION, ... 著者 Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. 登録日 2019-05-02 公開日 2020-01-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
6RLT	Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine 分子名称: 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, GLYCEROL, MALONATE ION, ... 著者 Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. 登録日 2019-05-02 公開日 2020-01-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
5Z9O	The crystal structure of Cyclopropane-fatty-acyl-phospholipid synthase from Lactobacillus acidophilus 分子名称: CARBONATE ION, Cyclopropane-fatty-acyl-phospholipid synthase, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE 著者 Pan, C.L, Ma, Y.L, Wang, Q.H. 登録日 2018-02-04 公開日 2019-03-06 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal structure of bacterial cyclopropane-fatty-acyl-phospholipid synthase with phospholipid. J.Biochem., 166, 2019
6K1R	Crystal structure of Ketopantoate reductase from Pseudomonas aeruginosa in complex with NAD+ and ketopantoate 分子名称: GLYCEROL, KETOPANTOATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Khanppnavar, B, Choudhury, A, Datta, S. 登録日 2019-05-12 公開日 2020-05-13 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Crystallographic and biophysical analyses of Pseudomonas aeruginosa ketopantoate reductase: Implications of ligand induced conformational changes in cofactor recognition. Biochimie, 2021
4X48	Crystal structure of GluR2 ligand-binding core 分子名称: GLUTAMIC ACID, Glutamate receptor 2, N-{(3S,4S)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide, ... 著者 Pandit, J. 登録日 2014-12-02 公開日 2015-05-06 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 The Discovery and Characterization of the alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptor Potentiator N-{(3S,4S)-4-[4-(5-Cyano-2-thienyl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide (PF-04958242). J.Med.Chem., 58, 2015
4COH	Crystal structure of Trypanosoma cruzi CYP51 bound to the sulfonamide derivative of the 4-aminopyridyl-based inhibitor 分子名称: 2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE 著者 Vieira, D.F, Choi, J.Y, Roush, W.R, Podust, L.M. 登録日 2014-01-28 公開日 2014-04-02 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Expanding the Binding Envelope of Cyp51 Inhibitors Targeting Trypanosoma Cruzi with 4-Aminopyridyl-Based Sulfonamide Derivatives Chembiochem, 15, 2014
5SA3	PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434874 分子名称: 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, BROMIDE ION, DIMETHYL SULFOXIDE, ... 著者 Fiorillo, A, Ilari, A. 登録日 2021-05-18 公開日 2022-06-15 最終更新日 2023-03-01 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design. Front Mol Biosci, 9, 2022

 

12345678910111213141516>