5MMC
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1S0J
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![BU of 1s0j by Molmil](/molmil-images/mine/1s0j) | Trypanosoma cruzi trans-sialidase in complex with MuNANA (Michaelis complex) | Descriptor: | 4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-NON-2-ULOPYRANOSIDONIC ACID, trans-sialidase | Authors: | Amaya, M.F, Watts, A.G, Damager, I, Wehenkel, A, Nguyen, T, Buschiazzo, A, Paris, G, Frasch, A.C, Withers, S.G, Alzari, P.M. | Deposit date: | 2003-12-31 | Release date: | 2004-05-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Insights into the Catalytic Mechanism of Trypanosoma cruzi trans-Sialidase. Structure, 12, 2004
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6GD0
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![BU of 6gd0 by Molmil](/molmil-images/mine/6gd0) | Trypanosoma brucei PTR1 in complex with inhibitor 4g (F133) | Descriptor: | ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase, ... | Authors: | Landi, G, Pozzi, C, Mangani, S. | Deposit date: | 2018-04-20 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.74 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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1S0I
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![BU of 1s0i by Molmil](/molmil-images/mine/1s0i) | Trypanosoma cruzi trans-sialidase in complex with sialyl-lactose (Michaelis complex) | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, trans-sialidase | Authors: | Amaya, M.F, Watts, A.G, Damager, I, Wehenkel, A, Nguyen, T, Buschiazzo, A, Paris, G, Frasch, A.C, Withers, S.G, Alzari, P.M. | Deposit date: | 2003-12-31 | Release date: | 2004-05-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Insights into the Catalytic Mechanism of Trypanosoma cruzi trans-Sialidase. Structure, 12, 2004
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6GCL
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![BU of 6gcl by Molmil](/molmil-images/mine/6gcl) | Trypanosoma brucei PTR1 in complex with inhibitor 3a (F020) | Descriptor: | 6-methylsulfonyl-1,3-benzothiazol-2-amine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase | Authors: | Landi, G, Pozzi, C, Mangani, S. | Deposit date: | 2018-04-18 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 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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6GXY
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![BU of 6gxy by Molmil](/molmil-images/mine/6gxy) | Tryparedoxin from Trypanosoma brucei in complex with CFT | Descriptor: | 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one, 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 (1.8 Å) | Cite: | Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes. Angew. Chem. Int. Ed. Engl., 58, 2019
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3ANY
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![BU of 3any by Molmil](/molmil-images/mine/3any) | |
4QIG
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![BU of 4qig by Molmil](/molmil-images/mine/4qig) | |
1C8F
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![BU of 1c8f by Molmil](/molmil-images/mine/1c8f) | FELINE PANLEUKOPENIA VIRUS EMPTY CAPSID STRUCTURE | Descriptor: | CALCIUM ION, FELINE PANLEUKOPENIA VIRUS CAPSID | Authors: | Rossmann, M.G, Simpson, A.A. | Deposit date: | 2000-05-05 | Release date: | 2000-08-09 | Last modified: | 2023-04-19 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Host range and variability of calcium binding by surface loops in the capsids of canine and feline parvoviruses. J.Mol.Biol., 300, 2000
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1C8G
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![BU of 1c8g by Molmil](/molmil-images/mine/1c8g) | FELINE PANLEUKOPENIA VIRUS EMPTY CAPSID STRUCTURE | Descriptor: | CALCIUM ION, FELINE PANLEUKOPENIA VIRUS CAPSID | Authors: | Rossmann, M.G, Simpson, A.A. | Deposit date: | 2000-05-05 | Release date: | 2000-08-09 | Last modified: | 2023-04-19 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Host range and variability of calcium binding by surface loops in the capsids of canine and feline parvoviruses. J.Mol.Biol., 300, 2000
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3AO0
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![BU of 3ao0 by Molmil](/molmil-images/mine/3ao0) | |
4S3M
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![BU of 4s3m by Molmil](/molmil-images/mine/4s3m) | |
3E7F
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![BU of 3e7f by Molmil](/molmil-images/mine/3e7f) | Crystal structure of 6-phosphogluconolactonase from Trypanosoma brucei complexed with 6-phosphogluconic acid | Descriptor: | 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconolactonase, ZINC ION | Authors: | Poggi, L, Delarue, M, Duclert-Savatier, N, Stoven, V. | Deposit date: | 2008-08-18 | Release date: | 2009-05-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Insights into the enzymatic mechanism of 6-phosphogluconolactonase from Trypanosoma brucei using structural data and molecular dynamics simulation. J.Mol.Biol., 388, 2009
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3EB9
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![BU of 3eb9 by Molmil](/molmil-images/mine/3eb9) | Crystal structure of 6-phosphogluconolactonase from trypanosoma brucei complexed with citrate | Descriptor: | 6-phosphogluconolactonase, CITRATE ANION, ZINC ION | Authors: | Poggi, L, Delarue, M, Duclert-Savatier, N, Stoven, V. | Deposit date: | 2008-08-27 | Release date: | 2009-05-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into the enzymatic mechanism of 6-phosphogluconolactonase from Trypanosoma brucei using structural data and molecular dynamics simulation. J.Mol.Biol., 388, 2009
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2YHI
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![BU of 2yhi by Molmil](/molmil-images/mine/2yhi) | Trypanosoma brucei PTR1 in complex with inhibitor WH16 | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | Authors: | Nerini, E, Dawson, A, Hunter, W.N, Costi, M.P. | Deposit date: | 2011-05-03 | Release date: | 2012-05-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 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
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4PLU
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![BU of 4plu by Molmil](/molmil-images/mine/4plu) | |
4PKZ
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4TMR
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![BU of 4tmr by Molmil](/molmil-images/mine/4tmr) | Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 99S: methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate . | Descriptor: | CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Witschel, M.C. | Deposit date: | 2014-06-02 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities. J.Med.Chem., 58, 2015
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8OK4
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![BU of 8ok4 by Molmil](/molmil-images/mine/8ok4) | Variant Surface Glycoprotein VSG11wt-Oil | Descriptor: | Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Zeelen, J.P, Stebbins, C.E, Aresta-Branco, F, Foti, K. | Deposit date: | 2023-03-27 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey. Plos Negl Trop Dis, 17, 2023
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8OK8
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![BU of 8ok8 by Molmil](/molmil-images/mine/8ok8) | Variant Surface Glycoprotein VSG615 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Variant surface glycoprotein 615, ... | Authors: | Zeelen, J.P, Stebbins, C.E, Chandra, M. | Deposit date: | 2023-03-27 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey. Plos Negl Trop Dis, 17, 2023
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8OK5
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![BU of 8ok5 by Molmil](/molmil-images/mine/8ok5) | Variant Surface Glycoprotein VSG11 monomer with iodine | Descriptor: | IODIDE ION, Variant surface glycoprotein, alpha-D-glucopyranose, ... | Authors: | Zeelen, J.P, Stebbins, C.E, Aresta-Branco, F. | Deposit date: | 2023-03-27 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey. Plos Negl Trop Dis, 17, 2023
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8OK6
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![BU of 8ok6 by Molmil](/molmil-images/mine/8ok6) | Variant Surface Glycoprotein VSG11 two monomers | Descriptor: | SULFATE ION, Variant surface glycoprotein, alpha-D-glucopyranose, ... | Authors: | Gkeka, A, Vlachou, E.P, Zeelen, J.P, Stebbins, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey. Plos Negl Trop Dis, 17, 2023
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8OK7
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![BU of 8ok7 by Molmil](/molmil-images/mine/8ok7) | Variant Surface Glycoprotein VSG558 NTD | Descriptor: | Variant surface glycoprotein 558, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zeelen, J.P, Stebbins, C.E, van Straaten, M, Zhong, J. | Deposit date: | 2023-03-27 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey. Plos Negl Trop Dis, 17, 2023
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8OF2
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![BU of 8of2 by Molmil](/molmil-images/mine/8of2) | Trypanosoma brucei pteridine reductase 1 (TbPTR1) in complex with 2,4,6 triamminopyrimidine (TAP) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Tassone, G, Landi, G, Mangani, S, Pozzi, C. | Deposit date: | 2023-03-13 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | The discovery of aryl-2-nitroethyl triamino pyrimidines as anti-Trypanosoma brucei agents. Eur.J.Med.Chem., 264, 2023
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5AYV
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![BU of 5ayv by Molmil](/molmil-images/mine/5ayv) | Crystal structure of archaeal ketopantoate reductase complexed with coenzyme A and 2-oxopantoate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-dehydropantoate 2-reductase, ACETATE ION, ... | Authors: | Aikawa, Y, Nishitani, Y, Miki, K. | Deposit date: | 2015-09-08 | Release date: | 2016-01-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.647 Å) | Cite: | Crystal structure of archaeal ketopantoate reductase complexed with coenzyme a and 2-oxopantoate provides structural insights into feedback regulation Proteins, 84, 2016
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