7NVP
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![BU of 7nvp by Molmil](/molmil-images/mine/7nvp) | Trypanothione reductase from Trypanosoma brucei in complex with N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N(1),N(8)-bis(glutathionyl)spermidine reductase, ... | 著者 | Battista, T, Fiorillo, A, Colotti, G, Ilari, A. | 登録日 | 2021-03-15 | 公開日 | 2022-03-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.153 Å) | 主引用文献 | Optimization of Potent and Specific Trypanothione Reductase Inhibitors: A Structure-Based Drug Discovery Approach. Acs Infect Dis., 8, 2022
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6YLZ
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![BU of 6ylz by Molmil](/molmil-images/mine/6ylz) | X-ray structure of the K72I,Y129F,R133L, H199A quadruple mutant of PNP-oxidase from E. coli | 分子名称: | FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ... | 著者 | Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A. | 登録日 | 2020-04-07 | 公開日 | 2021-04-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.558 Å) | 主引用文献 | Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase. J.Biol.Chem., 296, 2021
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6YMH
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![BU of 6ymh by Molmil](/molmil-images/mine/6ymh) | X-ray structure of the K72I, Y129F, R133L, H199A quadruple mutant of PNP-oxidase from E. coli in complex with PLP | 分子名称: | FLAVIN MONONUCLEOTIDE, PYRIDOXAL-5'-PHOSPHATE, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ... | 著者 | Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A. | 登録日 | 2020-04-08 | 公開日 | 2021-04-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.417 Å) | 主引用文献 | Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase. J.Biol.Chem., 296, 2021
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8P5I
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![BU of 8p5i by Molmil](/molmil-images/mine/8p5i) | Kinase domain of mutant human ULK1 in complex with compound XMD-17-51 | 分子名称: | 5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one, GLYCEROL, MAGNESIUM ION, ... | 著者 | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | 登録日 | 2023-05-24 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.829 Å) | 主引用文献 | Crystal structures of ULK1 in complex with KCGS compounds To Be Published
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8P5K
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![BU of 8p5k by Molmil](/molmil-images/mine/8p5k) | Kinase domain of mutant human ULK1 in complex with compound MRT68921 | 分子名称: | GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | 登録日 | 2023-05-24 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.209 Å) | 主引用文献 | Crystal structures of ULK1 in complex with KCGS compounds To Be Published
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8P5L
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![BU of 8p5l by Molmil](/molmil-images/mine/8p5l) | Kinase domain of mutant human ULK1 in complex with compound MRT67307 | 分子名称: | MAGNESIUM ION, N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase ULK1 | 著者 | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | 登録日 | 2023-05-24 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.836 Å) | 主引用文献 | Crystal structures of ULK1 in complex with KCGS compounds To Be Published
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8P5G
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![BU of 8p5g by Molmil](/molmil-images/mine/8p5g) | Kinase domain of wild type human ULK1 in complex with compound CCT241533 | 分子名称: | 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, SODIUM ION, ... | 著者 | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | 登録日 | 2023-05-24 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.019 Å) | 主引用文献 | Crystal structures of ULK1 in complex with KCGS compounds To Be Published
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8P5J
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![BU of 8p5j by Molmil](/molmil-images/mine/8p5j) | Kinase domain of mutant human ULK1 in complex with compound WZ4003 | 分子名称: | MAGNESIUM ION, SODIUM ION, Serine/threonine-protein kinase ULK1, ... | 著者 | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | 登録日 | 2023-05-24 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.164 Å) | 主引用文献 | Crystal structures of ULK1 in complex with KCGS compounds To Be Published
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8P5H
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![BU of 8p5h by Molmil](/molmil-images/mine/8p5h) | Kinase domain of mutant human ULK1 in complex with compound CCT241533 | 分子名称: | 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, SODIUM ION, ... | 著者 | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | 登録日 | 2023-05-24 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.941 Å) | 主引用文献 | Crystal structures of ULK1 in complex with KCGS compounds To Be Published
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6RB5
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![BU of 6rb5 by Molmil](/molmil-images/mine/6rb5) | Trypanothione reductase in complex with 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide | 分子名称: | 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Ilari, A, Fiorillo, A, Battista, T, Mocci, S. | 登録日 | 2019-04-09 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.977 Å) | 主引用文献 | Spiro-containing derivatives show antiparasitic activity against Trypanosoma brucei through inhibition of the trypanothione reductase enzyme. Plos Negl Trop Dis, 14, 2020
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