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PDB: 66 件
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
6YC8
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Crystal structure of KRED1-Pglu enzyme
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
著者Di Pisa, F.
登録日2020-03-18
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural insights into the desymmetrization of bulky 1,2-dicarbonyls through enzymatic monoreduction.
Bioorg.Chem., 108, 2021
6Y0D
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Crystal structure of Trypanosoma cruzi antigen TcSMP11.90
分子名称: Surface membrane protein
著者Di Pisa, F, Gourlay, L.J, Bolognesi, M, De Benedetti, S.
登録日2020-02-07
公開日2022-02-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Elucidating the 3D Structure of a Surface Membrane Antigen from Trypanosoma cruzi as a Serodiagnostic Biomarker of Chagas Disease.
Vaccines (Basel), 10, 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
5T7O
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Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ...
著者Di Pisa, F, Dello Iacono, L, Bonucci, A, Mangani, S.
登録日2016-09-05
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE
To Be Published
4YU9
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Crystal Structure of double mutant Y115E Y117E human Glutaminyl Cyclase
分子名称: 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION, ...
著者Di Pisa, F, Pozzi, C, Benvenuti, M, Mangani, S.
登録日2015-03-18
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The soluble Y115E-Y117E variant of human glutaminyl cyclase is a valid target for X-ray and NMR screening of inhibitors against Alzheimer disease.
Acta Crystallogr.,Sect.F, 71, 2015
4YWY
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Crystal Structure of double mutant Y115E Y117E human Glutaminyl Cyclase in complex with inhibitor PBD-150
分子名称: 1,2-ETHANEDIOL, 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, CHLORIDE ION, ...
著者Di Pisa, F, Pozzi, C, Benvenuti, M, Mangani, S.
登録日2015-03-21
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The soluble Y115E-Y117E variant of human glutaminyl cyclase is a valid target for X-ray and NMR screening of inhibitors against Alzheimer disease.
Acta Crystallogr.,Sect.F, 71, 2015
4WCD
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Trypanosoma brucei PTR1 in complex with inhibitor 10
分子名称: 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine, ACETATE ION, GLYCEROL, ...
著者Mangani, S, Di Pisa, F, Pozzi, C.
登録日2014-09-04
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献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
4WCF
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Trypanosoma brucei PTR1 in complex with inhibitor 9
分子名称: 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine, ACETATE ION, GLYCEROL, ...
著者Mangani, S, Di Pisa, F, Pozzi, C.
登録日2014-09-04
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献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
8QOU
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Reactive intermediate deaminase A mutant - R107K
分子名称: 1,2-ETHANEDIOL, 2-iminobutanoate/2-iminopropanoate deaminase, DI(HYDROXYETHYL)ETHER, ...
著者Rizzi, G, Visentin, C, Di Pisa, F, Ricagno, S.
登録日2023-09-29
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Reactive intermediate deaminase A mutant - R107K
To Be Published
8QOV
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Capra hircus reactive intermediate deaminase A mutant - I126Y
分子名称: 1,2-ETHANEDIOL, 2-iminobutanoate/2-iminopropanoate deaminase, DI(HYDROXYETHYL)ETHER, ...
著者Rizzi, G, Visentin, C, Di Pisa, F, Ricagno, S.
登録日2023-09-29
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Capra hircus reactive intermediate deaminase A mutant - I126Y
To Be Published
5JCX
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Trypanosoma brucei PTR1 in complex with inhibitor NP-29
分子名称: 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ...
著者Landi, G, Pozzi, C, Di Pisa, F, Dello Iacono, L, Mangani, S.
登録日2016-04-15
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
5JDI
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Trypanosoma brucei PTR1 in complex with cofactor and inhibitor NMT-H024 (compound 2)
分子名称: 3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S.
登録日2016-04-16
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
5JDC
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Trypanosoma brucei PTR1 in complex with inhibitor NP-13 (Hesperetin)
分子名称: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ...
著者Mangani, S, Pozzi, C, Di Pisa, F, Landi, G, Dello Iacono, L.
登録日2016-04-16
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
5JCJ
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Trypanosoma brucei PTR1 in complex with inhibitor NMT-H037 (compound 7)
分子名称: 2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Landi, G, Pozzi, C, Di Pisa, F, Dello Iacono, L, Mangani, S.
登録日2016-04-15
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
5IZC
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Trypanosoma brucei PTR1 in complex with inhibitor F032
分子名称: ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Pozzi, C, Landi, G, Di Pisa, F, Mangani, S.
登録日2016-03-25
公開日2017-04-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献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
5J8W
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One minute iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P.
登録日2016-04-08
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
5J8S
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Iron-free state of Rana Catesbeiana H' ferritin variant E57A/E136A/D140A
分子名称: CHLORIDE ION, Ferritin, middle subunit, ...
著者Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P.
登録日2016-04-08
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
5K6A
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Trypanosoma brucei 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, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S.
登録日2016-05-24
公開日2017-03-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity.
Molecules, 22, 2017
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
5J93
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Five minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P.
登録日2016-04-08
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
5J9V
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Ten minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P.
登録日2016-04-11
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
5JAC
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Sixty minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P.
登録日2016-04-12
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
8Q3H
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Capra hircus reactive intermediate deaminase A mutant - A108D
分子名称: 1,2-ETHANEDIOL, 2-iminobutanoate/2-iminopropanoate deaminase, GLYCEROL
著者Rizzi, G, Visentin, C, Di Pisa, F, Ricagno, S.
登録日2023-08-04
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Capra hircus reactive intermediate deaminase A mutant - A108D
To Be Published
8QOS
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Capra hircus reactive intermediate deaminase A - V25W
分子名称: 1,2-ETHANEDIOL, 2-iminobutanoate/2-iminopropanoate deaminase, POTASSIUM ION
著者Rizzi, G, Visentin, C, Di Pisa, F, Ricagno, S.
登録日2023-09-29
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Capra hircus reactive intermediate deaminase A - V25W
To Be Published

 

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