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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1TZJ
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![BU of 1tzj by Molmil](/molmil-images/mine/1tzj) | Crystal Structure of 1-aminocyclopropane-1-carboxylate deaminase complexed with d-vinyl glycine | Descriptor: | 1-aminocyclopropane-1-carboxylate deaminase, D-VINYLGLYCINE, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Karthikeyan, S, Zhou, Q, Zhao, Z, Kao, C.L, Tao, Z, Robinson, H, Liu, H.W, Zhang, H. | Deposit date: | 2004-07-10 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Analysis of Pseudomonas 1-Aminocyclopropane-1-carboxylate Deaminase Complexes: Insight into the Mechanism of a Unique Pyridoxal-5'-phosphate Dependent Cyclopropane Ring-Opening Reaction Biochemistry, 43, 2004
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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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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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8OVA
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![BU of 8ova by Molmil](/molmil-images/mine/8ova) | |
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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1SVE
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![BU of 1sve by Molmil](/molmil-images/mine/1sve) | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1 | Descriptor: | (4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE-4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER, N-OCTANOYL-N-METHYLGLUCAMINE, SODIUM ION, ... | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-03-29 | Release date: | 2005-03-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004
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1TYZ
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![BU of 1tyz by Molmil](/molmil-images/mine/1tyz) | Crystal structure of 1-Aminocyclopropane-1-carboyxlate Deaminase from Pseudomonas | Descriptor: | 1-aminocyclopropane-1-carboxylate deaminase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Karthikeyan, S, Zhou, Q, Zhao, Z, Kao, C.L, Tao, Z, Robinson, H, Liu, H.W, Zhang, H. | Deposit date: | 2004-07-08 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analysis of Pseudomonas 1-Aminocyclopropane-1-carboxylate Deaminase Complexes:Insight into the mechanism of unique pyrodoxial-5'-phosphate dependent cyclopropane ring opening reaction Biochemistry, 43, 2004
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1SVG
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![BU of 1svg by Molmil](/molmil-images/mine/1svg) | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 4 | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ALPHA FORM, N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOYLAMINO]-AZEPAN-3-YL}ISONICOTINAMIDE, ... | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-03-29 | Release date: | 2005-03-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004
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1SVH
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![BU of 1svh by Molmil](/molmil-images/mine/1svh) | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 8 | Descriptor: | (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-03-29 | Release date: | 2005-03-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004
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1VEB
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![BU of 1veb by Molmil](/molmil-images/mine/1veb) | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 5 | Descriptor: | (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-03-29 | Release date: | 2005-03-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004
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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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4YCA
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![BU of 4yca by Molmil](/molmil-images/mine/4yca) | Evidence of Kinetic Cooperativity in dimeric Ketopantoate Reductase from Staphylococcus aureus | Descriptor: | 2-dehydropantoate 2-reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Sanchez, J.E, Gross, P.G, Goetze, R, Walsh Jr, R.M, Peeples, W.B, Wood, Z.A. | Deposit date: | 2015-02-19 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Evidence of Kinetic Cooperativity in Dimeric Ketopantoate Reductase from Staphylococcus aureus. Biochemistry, 54, 2015
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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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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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4X0J
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![BU of 4x0j by Molmil](/molmil-images/mine/4x0j) | Trypanosoma brucei haptoglobin-haemoglobin receptor | Descriptor: | Haptoglobin-hemoglobin receptor | Authors: | Lane-Serff, H, MacGregor, P, Lowe, E.D, Carrington, M, Higgins, M.K. | Deposit date: | 2014-11-21 | Release date: | 2014-12-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for ligand and innate immunity factor uptake by the trypanosome haptoglobin-haemoglobin receptor. Elife, 3, 2014
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6H2G
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![BU of 6h2g by Molmil](/molmil-images/mine/6h2g) | |
6HOW
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![BU of 6how by Molmil](/molmil-images/mine/6how) | Trypanosoma brucei PTR1 in complex with the triazine inhibitor 2a (F219). | Descriptor: | (2~{R})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{H}-1,3,5-triazine-4,6-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase | Authors: | Landi, G, Pozzi, C, Mangani, S. | Deposit date: | 2018-09-18 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural Insights into the Development of Cycloguanil Derivatives asTrypanosoma bruceiPteridine-Reductase-1 Inhibitors. Acs Infect Dis., 5, 2019
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3AO0
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![BU of 3ao0 by Molmil](/molmil-images/mine/3ao0) | |
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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3ANY
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![BU of 3any by Molmil](/molmil-images/mine/3any) | |
4MUK
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![BU of 4muk by Molmil](/molmil-images/mine/4muk) | |
4YUZ
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![BU of 4yuz by Molmil](/molmil-images/mine/4yuz) | Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine | Descriptor: | 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine, Spermidine synthase, ... | Authors: | Amano, Y, Tateishi, Y. | Deposit date: | 2015-03-19 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase. Acta Crystallogr.,Sect.D, 71, 2015
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4YUV
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![BU of 4yuv by Molmil](/molmil-images/mine/4yuv) | |
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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