6Y0D
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5T7O
| Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... | Authors: | Di Pisa, F, Dello Iacono, L, Bonucci, A, Mangani, S. | Deposit date: | 2016-09-05 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE To Be Published
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7PXX
| The crystal structure of Leishmania major Pteridine Reductase 1 in complex with substrate folic acid | Descriptor: | DI(HYDROXYETHYL)ETHER, FOLIC ACID, GLYCEROL, ... | Authors: | Di Pisa, F, Dello Iacono, L, Mangani, S. | Deposit date: | 2021-10-08 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | 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
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6YC8
| Crystal structure of KRED1-Pglu enzyme | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Di Pisa, F. | Deposit date: | 2020-03-18 | Release date: | 2021-02-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural insights into the desymmetrization of bulky 1,2-dicarbonyls through enzymatic monoreduction. Bioorg.Chem., 108, 2021
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5NJW
| Crystal Structure of BJP-1 metallo beta-lactamase in complex with boric acid | Descriptor: | 1,2-ETHANEDIOL, BORIC ACID, Blr6230 protein, ... | Authors: | Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S. | Deposit date: | 2017-03-29 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Boric acid and acetate anion binding to subclass B3 metallo-Beta-lactamase BJP-1 provides clues for mechanism of action and inhibitor design Inorg.Chim.Acta., 2017
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5NGG
| Crystal structure of the subclass B3 metallo-beta-lactamase BJP-1 in complex with acetate anion | Descriptor: | ACETATE ION, Blr6230 protein, ZINC ION | Authors: | Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S. | Deposit date: | 2017-03-17 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Boric acid and acetate anion binding to subclass B3 metallo-Beta-lactamase BJP-1 provides clues for mechanism of action and inhibitor design Inorg.Chim.Acta., 2017
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5L4N
| Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 1 | Descriptor: | (2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Dello Iacono, L, Di Pisa, F, Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2016-05-26 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity. Molecules, 22, 2017
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5L42
| Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 3 | Descriptor: | (2~{R})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Dello Iacono, L, Di Pisa, F, Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2016-05-24 | Release date: | 2017-05-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity. Molecules, 22, 2017
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5K6A
| Trypanosoma brucei Pteridine reductase 1 (PTR1) in complex with compound 1 | Descriptor: | (2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S. | Deposit date: | 2016-05-24 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity. Molecules, 22, 2017
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6RXC
| Leishmania major pteridine reductase 1 (LmPTR1) in complex with inhibitor 4 (NMT-C0026) | Descriptor: | 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 | Authors: | Di Pisa, F, Dello Iacono, L, Pozzi, C, Mangani, S. | Deposit date: | 2019-06-07 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1. J.Med.Chem., 65, 2022
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8QOV
| Capra hircus reactive intermediate deaminase A mutant - I126Y | Descriptor: | 1,2-ETHANEDIOL, 2-iminobutanoate/2-iminopropanoate deaminase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Rizzi, G, Visentin, C, Di Pisa, F, Ricagno, S. | Deposit date: | 2023-09-29 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Capra hircus reactive intermediate deaminase A mutant - I126Y To Be Published
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8QOS
| Capra hircus reactive intermediate deaminase A - V25W | Descriptor: | 1,2-ETHANEDIOL, 2-iminobutanoate/2-iminopropanoate deaminase, POTASSIUM ION | Authors: | Rizzi, G, Visentin, C, Di Pisa, F, Ricagno, S. | Deposit date: | 2023-09-29 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Capra hircus reactive intermediate deaminase A - V25W To Be Published
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8QOM
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4WCF
| Trypanosoma brucei PTR1 in complex with inhibitor 9 | Descriptor: | 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine, ACETATE ION, GLYCEROL, ... | Authors: | Mangani, S, Di Pisa, F, Pozzi, C. | Deposit date: | 2014-09-04 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 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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4WCD
| Trypanosoma brucei PTR1 in complex with inhibitor 10 | Descriptor: | 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine, ACETATE ION, GLYCEROL, ... | Authors: | Mangani, S, Di Pisa, F, Pozzi, C. | Deposit date: | 2014-09-04 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.68 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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4Y08
| ONE MINUTE IRON LOADED HUMAN H FERRITIN | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin heavy chain, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S. | Deposit date: | 2015-02-05 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Iron binding to human heavy-chain ferritin. Acta Crystallogr.,Sect.D, 71, 2015
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6I9P
| Iron-free state of Rana catesbeiana H' ferritin variant H54N | Descriptor: | CHLORIDE ION, Ferritin, middle subunit, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S. | Deposit date: | 2018-11-24 | Release date: | 2019-05-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Effect of the point mutation H54N on the ferroxidase process of Rana catesbeiana H' ferritin. J.Inorg.Biochem., 197, 2019
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6I9T
| Two minutes iron loaded Rana Catesbeiana H' ferritin variant H54N | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S. | Deposit date: | 2018-11-25 | Release date: | 2019-05-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Effect of the point mutation H54N on the ferroxidase process of Rana catesbeiana H' ferritin. J.Inorg.Biochem., 197, 2019
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6I36
| SIXTY MINUTES IRON LOADED FROG M FERRITIN | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | Deposit date: | 2018-11-05 | Release date: | 2018-12-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Time-Lapse Anomalous X-Ray Diffraction Shows How Fe(2+) Substrate Ions Move Through Ferritin Protein Nanocages To Oxidoreductase Sites. Acta Crystallogr.,Sect.D, 71, 2015
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6IAJ
| Sixty minutes iron loaded Rana Catesbeiana H' ferritin variant H54N | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S. | Deposit date: | 2018-11-26 | Release date: | 2019-05-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Effect of the point mutation H54N on the ferroxidase process of Rana catesbeiana H' ferritin. J.Inorg.Biochem., 197, 2019
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6IAF
| Fifteen minutes iron loaded Rana Catesbeiana H' ferritin variant H54N | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S. | Deposit date: | 2018-11-26 | Release date: | 2019-05-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Effect of the point mutation H54N on the ferroxidase process of Rana catesbeiana H' ferritin. J.Inorg.Biochem., 197, 2019
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5JCJ
| Trypanosoma brucei PTR1 in complex with inhibitor NMT-H037 (compound 7) | Descriptor: | 2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Landi, G, Pozzi, C, Di Pisa, F, Dello Iacono, L, Mangani, S. | Deposit date: | 2016-04-15 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs. J.Med.Chem., 59, 2016
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8QOU
| Reactive intermediate deaminase A mutant - R107K | Descriptor: | 1,2-ETHANEDIOL, 2-iminobutanoate/2-iminopropanoate deaminase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Rizzi, G, Visentin, C, Di Pisa, F, Ricagno, S. | Deposit date: | 2023-09-29 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Reactive intermediate deaminase A mutant - R107K To Be Published
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5IZC
| Trypanosoma brucei PTR1 in complex with inhibitor F032 | Descriptor: | ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Pozzi, C, Landi, G, Di Pisa, F, Mangani, S. | Deposit date: | 2016-03-25 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 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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5J93
| Five minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P. | Deposit date: | 2016-04-08 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity. Chemistry, 22, 2016
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