PDB: 82554 resultsInfo pagesStatus searchChemie searchBIRD

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1H1T	PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE IN COMPLEX WITH Coenzyme A FROM ESCHERICHIA COLI Descriptor: 4'-PHOSPHOPANTETHEINE, COENZYME A, PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE, ... Authors: Izard, T. Deposit date: 2002-07-21 Release date: 2003-07-07 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.78 Å) Cite: A Novel Adenylate Binding Site Confers Phosphopantetheine Adenylyltransferase Interactions with Coenzyme A J.Bacteriol., 185, 2003
4WCD	Trypanosoma brucei PTR1 in complex with inhibitor 10 Descriptor: 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine, ACETATE ION, GLYCEROL, ... Authors: Mangani, S, Di Pisa, F, Pozzi, C. Deposit date: 2014-09-04 Release date: 2015-09-30 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery. ACS Omega, 2, 2017
5J58	Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1856) Descriptor: (3S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]piperidin-3-amine, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Barros-Alvarez, X, Hol, W.G.J. Deposit date: 2016-04-01 Release date: 2017-01-25 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors. Eur J Med Chem, 124, 2016
4WCF	Trypanosoma brucei PTR1 in complex with inhibitor 9 Descriptor: 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine, ACETATE ION, GLYCEROL, ... Authors: Mangani, S, Di Pisa, F, Pozzi, C. Deposit date: 2014-09-04 Release date: 2015-09-23 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery. ACS Omega, 2, 2017
5J59	Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1893) Descriptor: 5-chloro-N-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-N-methyl-3H-imidazo[4,5-b]pyridin-2-amine, GLYCEROL, METHIONINE, ... Authors: Barros-Alvarez, X, Hol, W.G.J. Deposit date: 2016-04-01 Release date: 2017-01-25 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors. Eur J Med Chem, 124, 2016
5JDC	Trypanosoma brucei PTR1 in complex with inhibitor NP-13 (Hesperetin) Descriptor: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ... Authors: Mangani, S, Pozzi, C, Di Pisa, F, Landi, G, Dello Iacono, L. Deposit date: 2016-04-16 Release date: 2016-08-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs. J.Med.Chem., 59, 2016
5X6F	Crystal structure of Phosphopantetheine adenylyltransferase from Pseudomonas aeruginosa Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Phosphopantetheine adenylyltransferase Authors: Mondal, A, Chatterjee, R, Datta, S. Deposit date: 2017-02-21 Release date: 2018-02-14 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.593 Å) Cite: Umbrella Sampling and X-ray Crystallographic Analysis Unveil an Arg-Asp Gate Facilitating Inhibitor Binding Inside Phosphopantetheine Adenylyltransferase Allosteric Cleft. J Phys Chem B, 122, 2018
3FZ0	Inosine-Guanosine Nucleoside Hydrolase (IG-NH) Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Nucleoside hydrolase, ... Authors: Vandemeulebroucke, A, Minici, C, Bruno, I, Muzzolini, L, Tornaghi, P, Parkin, D.W, Schramm, V.L, Versees, W, Steyaert, J, Degano, M. Deposit date: 2009-01-23 Release date: 2010-01-26 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structure and mechanism of the 6-oxopurine nucleosidase from Trypanosoma brucei brucei Biochemistry, 49, 2010
4MW2	Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1472) Descriptor: 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. Deposit date: 2013-09-24 Release date: 2014-04-30 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
4MW7	Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1469) Descriptor: 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. Deposit date: 2013-09-24 Release date: 2014-04-30 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
4CZV	Structure of the Neurospora crassa Pan2 WD40 domain Descriptor: CHLORIDE ION, GLYCEROL, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN2 Authors: Peter, D, Jonas, S, Izaurralde, E, Weichenrieder, O. Deposit date: 2014-04-22 Release date: 2014-06-04 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: An Asymmetric Pan3 Dimer Recruits a Single Pan2 Exonuclease to Mediate Mrna Deadenylation and Decay. Nat.Struct.Mol.Biol., 21, 2014
8PF4	Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-methyl-1-(3-phenylpropyl)piperazin-1-ium Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... Authors: Exertier, C, Ilari, A, Fiorillo, A, Antonelli, L. Deposit date: 2023-06-15 Release date: 2024-04-03 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis. J.Med.Chem., 67, 2024
8PF3	Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium Descriptor: 4-[(3,4-dichlorophenyl)methyl]-~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... Authors: Exertier, C, Ilari, A, Fiorillo, A, Antonelli, L. Deposit date: 2023-06-15 Release date: 2024-04-03 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis. J.Med.Chem., 67, 2024
8PF5	Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium Descriptor: 4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... Authors: Exertier, C, Antonelli, L, Fiorillo, A, Ilari, A. Deposit date: 2023-06-15 Release date: 2024-04-03 Method: X-RAY DIFFRACTION (2.42 Å) Cite: Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis. J.Med.Chem., 67, 2024
5JCX	Trypanosoma brucei PTR1 in complex with inhibitor NP-29 Descriptor: 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ... Authors: Landi, G, Pozzi, C, Di Pisa, F, Dello Iacono, L, Mangani, S. Deposit date: 2016-04-15 Release date: 2016-08-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs. J.Med.Chem., 59, 2016
5JSQ	Trypanosome brucei Hypoxanthine-guanine phosphoribosyltranferase in complex with a 9-[7-(phosphonoheptyl]guanine Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, MAGNESIUM ION, ... Authors: Teran, D, Guddat, L. Deposit date: 2016-05-09 Release date: 2016-11-09 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.503 Å) Cite: Crystal structures and inhibition of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase. Sci Rep, 6, 2016
6IEW	The crystal structure of the dNxf2 UBA domain in complex with Panoramix Descriptor: Fusion protein of Nuclear RNA export factor 2 and Protein panoramix, GLYCEROL Authors: Huang, Y, Cheng, S. Deposit date: 2018-09-17 Release date: 2019-08-21 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (1.5 Å) Cite: A Pandas complex adapted for piRNA-guided transcriptional silencing and heterochromatin formation. Nat.Cell Biol., 21, 2019
5IZC	Trypanosoma brucei PTR1 in complex with inhibitor F032 Descriptor: ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Pozzi, C, Landi, G, Di Pisa, F, Mangani, S. Deposit date: 2016-03-25 Release date: 2017-04-05 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery. ACS Omega, 2, 2017
1AL4	GRAMICIDIN D FROM BACILLUS BREVIS (N-PROPANOL SOLVATE) Descriptor: GRAMICIDIN D, N-PROPANOL Authors: Burkhart, B.M, Gassman, R.M, Pangborn, W.A, Duax, W.L. Deposit date: 1997-06-11 Release date: 1998-03-04 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.13 Å) Cite: Heterodimer Formation and Crystal Nucleation of Gramicidin D Biophys.J., 75, 1998
6GDO	Trypanosoma brucei PTR1 in complex with inhibitor 2g (F240) Descriptor: ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Pozzi, C, Landi, G, Mangani, S. Deposit date: 2018-04-24 Release date: 2019-04-03 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
6GD4	Trypanosoma brucei PTR1 in complex with inhibitor 4c (F188) Descriptor: 2-amino-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ... Authors: Landi, G, Pozzi, C, Mangani, S. Deposit date: 2018-04-21 Release date: 2019-04-03 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
6GCQ	Trypanosoma brucei PTR1 in complex with inhibitor 2b (F192) Descriptor: 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Pozzi, C, Landi, G, Mangani, S. Deposit date: 2018-04-18 Release date: 2019-04-03 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
6GCP	Trypanosoma brucei PTR1 in complex with inhibitor 2d (F186) Descriptor: 6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine, ACETATE ION, GLYCEROL, ... Authors: Pozzi, C, Landi, G, Mangani, S. Deposit date: 2018-04-18 Release date: 2019-04-03 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
6GDP	Trypanosoma brucei PTR1 in complex with inhibitor 4l (F162) Descriptor: 2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ... Authors: Pozzi, C, Landi, G, Mangani, S. Deposit date: 2018-04-24 Release date: 2019-04-03 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
6GEX	Trypanosoma brucei PTR1 in complex with inhibitor 2h (F246) Descriptor: 4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide, ACETATE ION, GLYCEROL, ... Authors: Pozzi, C, Landi, G, Mangani, S. Deposit date: 2018-04-27 Release date: 2019-04-03 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019

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