6Y54
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![BU of 6y54 by Molmil](/molmil-images/mine/6y54) | Crystal structure of a Neisseria meningitidis serogroup A capsular oligosaccharide bound to a functional Fab | Descriptor: | 1,2-ETHANEDIOL, Fab A1.1 H chain, Fab A1.1 L chain, ... | Authors: | Dello Iacono, L, Henriques, P, Adamo, R. | Deposit date: | 2020-02-24 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structure of a protective epitope reveals the importance of acetylation of Neisseria meningitidis serogroup A capsular polysaccharide. Proc.Natl.Acad.Sci.USA, 117, 2020
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7AH3
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![BU of 7ah3 by Molmil](/molmil-images/mine/7ah3) | Kinase domain of cSrc in complex with a pyrazolopyrimidine | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Dello Iacono, L, Kleinboelting, S, Fallacara, A.L, Rauh, D. | Deposit date: | 2020-09-24 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Insights into the binding of pyrazolopyrimidines to Src kinase To Be Published
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5L42
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![BU of 5l42 by Molmil](/molmil-images/mine/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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5L4N
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![BU of 5l4n by Molmil](/molmil-images/mine/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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6EUN
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![BU of 6eun by Molmil](/molmil-images/mine/6eun) | Crystal structure of Neisseria meningitidis vaccine antigen NadA variant 3 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, ... | Authors: | Dello Iacono, L, Liguori, A, Malito, E, Bottomley, M.J. | Deposit date: | 2017-10-30 | Release date: | 2018-10-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | NadA3 Structures Reveal Undecad Coiled Coils and LOX1 Binding Regions Competed by Meningococcus B Vaccine-Elicited Human Antibodies. MBio, 9, 2018
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6EUP
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![BU of 6eup by Molmil](/molmil-images/mine/6eup) | Crystal structure of Neisseria meningitidis NadA variant 3 double mutant A33I-I38L | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Adhesin A, ... | Authors: | Dello Iacono, L, Liguori, A, Malito, E, Bottomley, M.J. | Deposit date: | 2017-10-31 | Release date: | 2018-10-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | NadA3 Structures Reveal Undecad Coiled Coils and LOX1 Binding Regions Competed by Meningococcus B Vaccine-Elicited Human Antibodies. MBio, 9, 2018
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7O4W
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![BU of 7o4w by Molmil](/molmil-images/mine/7o4w) | |
8RDA
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![BU of 8rda by Molmil](/molmil-images/mine/8rda) | |
7PXX
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![BU of 7pxx by Molmil](/molmil-images/mine/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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8RDF
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![BU of 8rdf by Molmil](/molmil-images/mine/8rdf) | |
5T7O
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![BU of 5t7o by Molmil](/molmil-images/mine/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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6RXC
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![BU of 6rxc by Molmil](/molmil-images/mine/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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5JCX
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![BU of 5jcx by Molmil](/molmil-images/mine/5jcx) | Trypanosoma brucei PTR1 in complex with inhibitor NP-29 | Descriptor: | 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ... | 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 (1.43 Å) | Cite: | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs. J.Med.Chem., 59, 2016
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5JCJ
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![BU of 5jcj by Molmil](/molmil-images/mine/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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5JDC
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![BU of 5jdc by Molmil](/molmil-images/mine/5jdc) | Trypanosoma brucei PTR1 in complex with inhibitor NP-13 (Hesperetin) | Descriptor: | (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ... | Authors: | Mangani, S, Pozzi, C, Di Pisa, F, Landi, G, Dello Iacono, L. | Deposit date: | 2016-04-16 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs. J.Med.Chem., 59, 2016
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