3GN2
 
 | | Structure of Pteridine Reductase 1 (PTR1) from TRYPANOSOMA BRUCEI in ternary complex with cofactor (NADP+) and inhibitor (DDD00066730) | | Descriptor: | 1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Tulloch, L.B, Brenk, R, Hunter, W.N. | | Deposit date: | 2009-03-16 | | Release date: | 2009-12-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.
J.Med.Chem., 52, 2009
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3GN1
 | | Structure of Pteridine Reductase 1 (PTR1) from TRYPANOSOMA BRUCEI in ternary complex with cofactor (NADP+) and inhibitor (DDD00067116) | | Descriptor: | 1H-benzimidazol-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Tulloch, L.B, Brenk, R, Hunter, W.N. | | Deposit date: | 2009-03-16 | | Release date: | 2009-12-29 | | Last modified: | 2011-09-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.
J.Med.Chem., 52, 2009
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3BMC
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3E0V
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3E0W
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2X9V
 | | High resolution structure of TbPTR1 with trimetrexate | | Descriptor: | ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE, ... | | Authors: | Dawson, A, Tulloch, L.B, Barrack, K.L, Hunter, W.N. | | Deposit date: | 2010-03-24 | | Release date: | 2010-06-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High-Resolution Structures of Trypanosoma Brucei Pteridine Reductase Ligand Complexes Inform on the Placement of New Molecular Entities in the Active Site of a Potential Drug Target
Acta Crystallogr.,Sect.D, 66, 2010
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2X9G
 | | High resolution structure of TbPTR1 in complex with Pemetrexed | | Descriptor: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Dawson, A, Barrack, K.L, Tulloch, L.B, Hunter, W.N. | | Deposit date: | 2010-03-18 | | Release date: | 2010-06-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | High-Resolution Structures of Trypanosoma Brucei Pteridine Reductase Ligand Complexes Inform on the Placement of New Molecular Entities in the Active Site of a Potential Drug Target
Acta Crystallogr.,Sect.D, 66, 2010
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2X9N
 | | High resolution structure of TbPTR1 in complex with cyromazine | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, ACETATE ION, DITHIANE DIOL, ... | | Authors: | Dawson, A, Tulloch, L.B, Barrack, K.L, Hunter, W.N. | | Deposit date: | 2010-03-23 | | Release date: | 2010-06-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | High-Resolution Structures of Trypanosoma Brucei Pteridine Reductase Ligand Complexes Inform on the Placement of New Molecular Entities in the Active Site of a Potential Drug Target
Acta Crystallogr.,Sect.D, 66, 2010
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2XOX
 | | Crystal structure of pteridine reductase (PTR1) from Leishmania donovani | | Descriptor: | PTERIDINE REDUCTASE, SULFATE ION | | Authors: | Barrack, K.L, Tulloch, L.B, Burke, L.A, Fyfe, P.K, Hunter, W.N. | | Deposit date: | 2010-08-24 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Recombinant Leishmania Donovani Pteridine Reductase Reveals a Disordered Active Site.
Acta Crystallogr.,Sect.F, 67, 2011
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3BMN
 | | Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX3) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... | | Authors: | Martini, V.P, Iulek, J, Tulloch, L.B, Hunter, W.N. | | Deposit date: | 2007-12-13 | | Release date: | 2008-12-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
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3BMO
 | | Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX4) | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine, ... | | Authors: | Martini, V.P, Iulek, J, Hunter, W.N, Tulloch, L.B. | | Deposit date: | 2007-12-13 | | Release date: | 2008-12-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
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