4CMA
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![BU of 4cma by Molmil](/molmil-images/mine/4cma) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | 5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CM3
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![BU of 4cm3 by Molmil](/molmil-images/mine/4cm3) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CMB
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![BU of 4cmb by Molmil](/molmil-images/mine/4cmb) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | ACETATE ION, N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-16 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CLE
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![BU of 4cle by Molmil](/molmil-images/mine/4cle) | |
4CM5
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![BU of 4cm5 by Molmil](/molmil-images/mine/4cm5) | |
4CMG
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![BU of 4cmg by Molmil](/molmil-images/mine/4cmg) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-16 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CLR
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![BU of 4clr by Molmil](/molmil-images/mine/4clr) | |
4CMC
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![BU of 4cmc by Molmil](/molmil-images/mine/4cmc) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1 | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-16 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CME
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![BU of 4cme by Molmil](/molmil-images/mine/4cme) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1 | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-16 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CMK
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![BU of 4cmk by Molmil](/molmil-images/mine/4cmk) | |
4CLX
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![BU of 4clx by Molmil](/molmil-images/mine/4clx) | |
2IYP
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![BU of 2iyp by Molmil](/molmil-images/mine/2iyp) | product rup | Descriptor: | 6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, ADENOSINE-2'-5'-DIPHOSPHATE, ... | Authors: | Sundaramoorthy, R, Iulek, J, Hunter, W.N. | Deposit date: | 2006-07-21 | Release date: | 2007-01-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Crystal Structures of a Bacterial 6-Phosphogluconate Dehydrogenase Reveal Aspects of Specificity, Mechanism and Mode of Inhibition by Analogues of High-Energy Reaction Intermediates. FEBS J., 274, 2007
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2IZ1
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![BU of 2iz1 by Molmil](/molmil-images/mine/2iz1) | 6PDH complexed with PEX inhibitor synchrotron data | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID, ... | Authors: | Sundaramoorthy, R, Iulek, J, Hunter, W.N. | Deposit date: | 2006-07-23 | Release date: | 2007-01-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of a Bacterial 6- Phosphogluconate Dehydrogenase Reveal Aspects of Specificity, Mechanism and Mode of Inhibition by Analogues of High-Energy Reaction Intermediates. FEBS J., 274, 2007
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2IZ0
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![BU of 2iz0 by Molmil](/molmil-images/mine/2iz0) | PEX inhibitor-home data | Descriptor: | 1,2-ETHANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ... | Authors: | Sundaramoorthy, R, Iulek, J, Hunter, W.N. | Deposit date: | 2006-07-23 | Release date: | 2007-01-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structures of a Bacterial 6- Phosphogluconate Dehydrogenase Reveal Aspects of Specificity, Mechanism and Mode of Inhibition by Analogues of High-Energy Reaction Intermediates. FEBS J., 274, 2007
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