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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
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
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
6D24	Trypanosoma cruzi Glucose-6-P Dehydrogenase in complex with G6P Descriptor: 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... Authors: Botti, H, Ortiz, C, Comini, M.A, Larrieux, N, Buschiazzo, A. Deposit date: 2018-04-12 Release date: 2018-05-02 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (3.35 Å) Cite: Glucose-6-Phosphate Dehydrogenase from the Human Pathogen Trypanosoma cruzi Evolved Unique Structural Features to Support Efficient Product Formation. J.Mol.Biol., 431, 2019
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
6GXG	Tryparedoxin from Trypanosoma brucei in complex with CFT Descriptor: 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one, GLYCEROL, Tryparedoxin Authors: Bader, N, Wagner, A, Hellmich, U, Schindelin, H. Deposit date: 2018-06-27 Release date: 2019-01-16 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes. Angew. Chem. Int. Ed. Engl., 58, 2019
6HNR	Trypanosoma brucei PTR1 in complex with the triazine inhibitor 1 (F217) Descriptor: 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, GLYCEROL, ... Authors: Landi, G, Pozzi, C, Mangani, S. Deposit date: 2018-09-17 Release date: 2019-05-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Structural Insights into the Development of Cycloguanil Derivatives asTrypanosoma bruceiPteridine-Reductase-1 Inhibitors. Acs Infect Dis., 5, 2019
3C3N	Crystal structure of dihydroorotate dehydrogenase from Trypanosoma cruzi strain Y Descriptor: Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... Authors: Pinheiro, M.P, Iulek, J, Nonato, M.C. Deposit date: 2008-01-28 Release date: 2008-04-29 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase from Y strain Biochem.Biophys.Res.Commun., 369, 2008
5QEC	PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000270a Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(benzyloxy)benzoic acid, Tyrosine-protein phosphatase non-receptor type 1 Authors: Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. Deposit date: 2018-08-30 Release date: 2018-10-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.673 Å) Cite: An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
5QG5	PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMSOA000811b Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-hydroxybenzonitrile, Tyrosine-protein phosphatase non-receptor type 1 Authors: Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. Deposit date: 2018-08-30 Release date: 2018-10-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.07 Å) Cite: An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
6HNC	Trypanosoma brucei PTR1 in complex with cycloguanil Descriptor: 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Landi, G, Pozzi, C, Mangani, S. Deposit date: 2018-09-14 Release date: 2019-05-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structural Insights into the Development of Cycloguanil Derivatives asTrypanosoma bruceiPteridine-Reductase-1 Inhibitors. Acs Infect Dis., 5, 2019
4MUG	Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(morpholinosulfonylcarbamoyl)-1H-indol-1-yl)acetic acid Descriptor: 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ... Authors: Silvestre, H.L, Blundell, T.L. Deposit date: 2013-09-21 Release date: 2014-08-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis. Chemmedchem, 11, 2016
4MUN	Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(2-nitro-4-(trifluoromethyl)phenylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid Descriptor: 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ... Authors: Silvestre, H.L, Blundell, T.L. Deposit date: 2013-09-22 Release date: 2014-08-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis. Chemmedchem, 11, 2016
4MUJ	Crystal structure of pantothenate synthetase in complex with 2-(2-(benzylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid Descriptor: 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ... Authors: Silvestre, H.L, Blundell, T.L. Deposit date: 2013-09-22 Release date: 2014-08-27 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis. Chemmedchem, 11, 2016
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
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
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
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
6GCK	Trypanosoma brucei PTR1 in complex with inhibitor 1e (F206) Descriptor: 4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 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 (2.14 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
1LKA	Porcine Pancreatic Elastase/Ca-Complex Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ... Authors: Weiss, M.S, Panjikar, S, Nowak, E, Tucker, P.A. Deposit date: 2002-04-24 Release date: 2002-08-28 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Metal binding to porcine pancreatic elastase: calcium or not calcium. Acta Crystallogr.,Sect.D, 58, 2002
1LKB	Porcine Pancreatic Elastase/Na-Complex Descriptor: CHLORIDE ION, Elastase 1, SODIUM ION, ... Authors: Weiss, M.S, Panjikar, S, Nowak, E, Tucker, P.A. Deposit date: 2002-04-24 Release date: 2002-08-28 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Metal binding to porcine pancreatic elastase: calcium or not calcium. Acta Crystallogr.,Sect.D, 58, 2002
3LE8	Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.70 Angstrom resolution in complex with 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid Descriptor: 1,2-ETHANEDIOL, 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid, ETHANOL, ... Authors: Silvestre, H.L, Hung, A.W, Sledz, P, Ciulli, A, Blundell, T.L, Abell, C. Deposit date: 2010-01-14 Release date: 2010-04-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Optimization of the interligand overhauser effect for fragment linking: application to inhibitor discovery against Mycobacterium tuberculosis pantothenate synthetase. J.Am.Chem.Soc., 132, 2010

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