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PDB: 14 件
1E7W
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One active site, two modes of reduction correlate the mechanism of leishmania pteridine reductase with pterin metabolism and antifolate drug resistance in trpanosomes
分子名称: 1,2-ETHANEDIOL, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Gourley, D.G, Hunter, W.N.
登録日2000-09-11
公開日2001-09-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Pteridine Reductase Mechanism Correlates Pterin Metabolism with Drug Resistance in Trypanosomatid Parasites.
Nat.Struct.Biol., 8, 2001
7PXX
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The crystal structure of Leishmania major Pteridine Reductase 1 in complex with substrate folic acid
分子名称: DI(HYDROXYETHYL)ETHER, FOLIC ACID, GLYCEROL, ...
著者Di Pisa, F, Dello Iacono, L, Mangani, S.
登録日2021-10-08
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal structure of the ternary complex of Leishmania major pteridine reductase 1 with the cofactor NADP + /NADPH and the substrate folic acid.
Acta Crystallogr.,Sect.F, 78, 2022
6RXC
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Leishmania major pteridine reductase 1 (LmPTR1) in complex with inhibitor 4 (NMT-C0026)
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1, methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate
著者Di Pisa, F, Dello Iacono, L, Pozzi, C, Mangani, S.
登録日2019-06-07
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
J.Med.Chem., 65, 2022
5L42
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Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 3
分子名称: (2~{R})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Dello Iacono, L, Di Pisa, F, Pozzi, C, Landi, G, Mangani, S.
登録日2016-05-24
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity.
Molecules, 22, 2017
1E92
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Pteridine reductase 1 from Leishmania major complexed with NADP+ and dihydrobiopterin
分子名称: 1,2-ETHANEDIOL, 7,8-DIHYDROBIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Schuettelkopf, A.W, Hunter, W.N.
登録日2000-10-04
公開日2001-10-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Pteridine Reductase Mechanism Correlates Pterin Metabolism with Drug Resistance in Trypanosomatid Parasites
Nat.Struct.Biol., 8, 2001
5L4N
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Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 1
分子名称: (2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Dello Iacono, L, Di Pisa, F, Pozzi, C, Landi, G, Mangani, S.
登録日2016-05-26
公開日2017-03-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity.
Molecules, 22, 2017
2BF7
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Leishmania major pteridine reductase 1 in complex with NADP and biopterin
分子名称: 1,2-ETHANEDIOL, 7,8-DIHYDROBIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Schuettelkopf, A.W, Hunter, W.N.
登録日2004-12-06
公開日2005-08-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design
J.Mol.Biol., 352, 2005
3H4V
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Selective screening and design to identify inhibitors of leishmania major pteridine reductase 1
分子名称: METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
著者Mcluskey, K, Gibellini, F, Hunter, W.N.
登録日2009-04-21
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development
Proc.Natl.Acad.Sci.USA, 105, 2008
2BFP
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Leishmania major pteridine reductase 1 in complex with NADP and tetrahydrobiopterin
分子名称: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Schuettelkopf, A.W, Hunter, W.N.
登録日2004-12-10
公開日2005-08-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design
J.Mol.Biol., 352, 2005
1W0C
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Inhibition of Leishmania major pteridine reductase (PTR1) by 2,4,6-triaminoquinazoline; structure of the NADP ternary complex.
分子名称: 2,4,6-TRIAMINOQUINAZOLINE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE
著者Mcluskey, K, Gibellini, F, Carvalho, P, Avery, M, Hunter, W.
登録日2004-06-02
公開日2004-09-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Inhibition of Leishmania Major Pteridine Reductase by 2,4,6-Triaminoquinazoline: Structure of the Nadph Ternary Complex
Acta Crystallogr.,Sect.D, 60, 2004
2BFM
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Leishmania major pteridine reductase 1 in complex with NADP and trimethoprim
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1, TRIMETHOPRIM
著者Schuettelkopf, A.W, Hunter, W.N.
登録日2004-12-09
公開日2005-08-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design
J.Mol.Biol., 352, 2005
2BFO
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BU of 2bfo by Molmil
Leishmania major pteridine reductase 1 in complex with NADPH
分子名称: 1,2-ETHANEDIOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1
著者Schuettelkopf, A.W, Hunter, W.N.
登録日2004-12-10
公開日2005-08-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design
J.Mol.Biol., 352, 2005
2QHX
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Structure of Pteridine Reductase from Leishmania major complexed with a ligand
分子名称: IODIDE ION, METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Gibellini, F, Mcluskey, K, Tulloch, L, Hunter, W.N.
登録日2007-07-03
公開日2007-12-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development.
Proc.Natl.Acad.Sci.USA, 105, 2008
2BFA
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Leishmania major pteridine reductase 1 in complex with NADP and CB3717
分子名称: 1,2-ETHANEDIOL, 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Schuettelkopf, A.W, Hunter, W.N.
登録日2004-12-06
公開日2005-08-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design
J.Mol.Biol., 352, 2005

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