2WOS
 
 | | Structure of human S100A7 in complex with 2,6 ANS | | 分子名称: | 6-[(1E)-CYCLOHEXA-2,4-DIEN-1-YLIDENEAMINO]NAPHTHALENE-2-SULFONATE, CALCIUM ION, PROTEIN S100-A7, ... | | 著者 | Leon, R, Murray, J.I, Cragg, G, Farnell, B, Pace, T.C, Bohne, C, Boulanger, M.J, Hof, F. | | 登録日 | 2009-07-27 | | 公開日 | 2009-10-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Identification and Characterization of Binding Sites on S100A7, a Participant in Cancer and Inflammation Pathways.
Biochemistry, 48, 2009
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2WOR
 | | co-structure of S100A7 with 1,8 ANS | | 分子名称: | 8-ANILINO-1-NAPHTHALENE SULFONATE, CALCIUM ION, PROTEIN S100-A7, ... | | 著者 | Leon, R, Hof, F, Boulanger, M.J. | | 登録日 | 2009-07-27 | | 公開日 | 2009-10-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Identification and Characterization of Binding Sites on S100A7, a Participant in Cancer and Inflammation Pathways.
Biochemistry, 48, 2009
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3CZ4
 | | Native AphA class B acid phosphatase/phosphotransferase from E. coli | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | 著者 | Leone, R, Cappelletti, E, Benvenuti, M, Lentini, G, Thaller, M.C, Mangani, S. | | 登録日 | 2008-04-28 | | 公開日 | 2008-11-11 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural insights into the catalytic mechanism of the bacterial class B phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases.
J.Mol.Biol., 384, 2008
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2G1A
 | | Crystal structure of the complex between Apha class B acid phosphatase/phosphotransferase | | 分子名称: | Class B acid phosphatase, MAGNESIUM ION, {[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID | | 著者 | Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S. | | 登録日 | 2006-02-14 | | 公開日 | 2007-04-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of the complex between Apha class B acid phosphatase/phosphotransferase
To be published
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3BZ0
 | | Lactobacillus Casei Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative C00 | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase | | 著者 | Leone, R, Cancian, L, Costi, M.P, Ferrari, S, Luciani, R, Mangani, S. | | 登録日 | 2008-01-17 | | 公開日 | 2009-01-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
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3C0A
 | | Lactobacillus CASEI Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 2 | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase | | 著者 | Leone, R, Mangani, S, Cancian, L, Costi, M.P, Luciani, R, Ferrari, S. | | 登録日 | 2008-01-19 | | 公開日 | 2009-01-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
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3BNZ
 | | Crystal structure of Thymidylate Synthase ternary complex with dUMP and 8A inhibitor | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile, PHOSPHATE ION, ... | | 著者 | Leone, R, Cancian, L, Luciani, R, Ferrari, S, Costi, M.P, Mangani, S. | | 登録日 | 2007-12-15 | | 公開日 | 2008-12-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
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3BYX
 | | Lactobacillus CASEI Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative C00 in Multiple Binding Modes | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase | | 著者 | Leone, R, Mangani, S, Cancian, L, Costi, M.P, Luciani, R, Ferrari, S. | | 登録日 | 2008-01-16 | | 公開日 | 2009-01-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
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3C06
 | | Lactobacillus CASEI Thymidylate Synthase Ternary Complex With DUMP and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 1 | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase | | 著者 | Leone, R, Mangani, S, Cancian, L, Costi, M.P, Luciani, R, Ferrari, S. | | 登録日 | 2008-01-18 | | 公開日 | 2009-01-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
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2HEG
 | | Phospho-Aspartyl Intermediate Analogue of Apha class B acid phosphatase/phosphotransferase | | 分子名称: | Class B acid phosphatase, MAGNESIUM ION | | 著者 | Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S. | | 登録日 | 2006-06-21 | | 公開日 | 2008-03-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 |
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2HF7
 | | Transition State Analogue of AphA class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex) | | 分子名称: | ALUMINUM FLUORIDE, Class B acid phosphatase, MAGNESIUM ION | | 著者 | Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S. | | 登録日 | 2006-06-23 | | 公開日 | 2008-03-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 |
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2F9T
 | | Structure of the type III CoaA from Pseudomonas aeruginosa | | 分子名称: | Pantothenate Kinase | | 著者 | Leonardi, R, Yun, M.K, Chohnan, S, White, S.W, Rock, C.O, Jackowski, S. | | 登録日 | 2005-12-06 | | 公開日 | 2006-08-22 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Prokaryotic Type II and Type III Pantothenate Kinases: The Same Monomer Fold Creates Dimers with Distinct Catalytic Properties.
Structure, 14, 2006
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2F9W
 | | Structure of the type III CoaA from Pseudomonas aeruginosa | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, PANTOTHENOIC ACID, ... | | 著者 | Leonardi, R, Yun, M.K, Chohnan, S, White, S.W, Rock, C.O, Jackowski, S. | | 登録日 | 2005-12-06 | | 公開日 | 2006-08-22 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Prokaryotic Type II and Type III Pantothenate Kinases: The Same Monomer Fold Creates Dimers with Distinct Catalytic Properties.
Structure, 14, 2006
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2Y52
 | | Crystal structure of E496A mutant of the box pathway encoded ALDH from Burkholderia xenovorans LB400 | | 分子名称: | ALDEHYDE DEHYDROGENASE (BOX PATHWAY), GLYCEROL | | 著者 | Bains, J, Leon, R, Temke, K.G, Boulanger, M.J. | | 登録日 | 2011-01-11 | | 公開日 | 2011-06-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Elucidating the Reaction Mechanism of the Benzoate Oxidation Pathway Encoded Aldehyde Dehydrogenase from Burkholderia Xenovorans Lb400.
Protein Sci., 20, 2011
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2Y5D
 | | Crystal structure of C296A mutant of the box pathway encoded ALDH from Burkholderia xenovorans LB400 | | 分子名称: | ALDEHYDE DEHYDROGENASE (BOX PATHWAY), GLYCEROL, HEXAETHYLENE GLYCOL, ... | | 著者 | Bains, J, Leon, R, Temke, K.G, Boulanger, M.J. | | 登録日 | 2011-01-12 | | 公開日 | 2011-06-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Elucidating the Reaction Mechanism of the Benzoate Oxidation Pathway Encoded Aldehyde Dehydrogenase from Burkholderia Xenovorans Lb400.
Protein Sci., 20, 2011
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2Y51
 | | Crystal structure of E167A mutant of the box pathway encoded ALDH from Burkholderia xenovorans LB400 | | 分子名称: | ALDEHYDE DEHYDROGENASE (BOX PATHWAY), GLYCEROL | | 著者 | Bains, J, Leon, R, Temke, K.G, Boulanger, M.J. | | 登録日 | 2011-01-11 | | 公開日 | 2011-06-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Elucidating the Reaction Mechanism of the Benzoate Oxidation Pathway Encoded Aldehyde Dehydrogenase from Burkholderia Xenovorans Lb400.
Protein Sci., 20, 2011
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2Y53
 | | Crystal structure of E257Q mutant of the box pathway encoded ALDH from Burkholderia xenovorans LB400 | | 分子名称: | ALDEHYDE DEHYDROGENASE (BOX PATHWAY), GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Bains, J, Leon, R, Temke, K.G, Boulanger, M.J. | | 登録日 | 2011-01-11 | | 公開日 | 2011-06-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Elucidating the Reaction Mechanism of the Benzoate Oxidation Pathway Encoded Aldehyde Dehydrogenase from Burkholderia Xenovorans Lb400.
Protein Sci., 20, 2011
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3IK1
 | | Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 20C | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, Thymidylate synthase | | 著者 | Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. | | 登録日 | 2009-08-05 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
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3IK0
 | | Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 7C1 | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide, Thymidylate synthase | | 著者 | Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. | | 登録日 | 2009-08-05 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
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3IJZ
 | | Lactobacillus casei Thymidylate Synthase ternary complex with dUMP and Pthalimidic derivative 15C | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase | | 著者 | Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. | | 登録日 | 2009-08-05 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
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3MK6
 | | Substrate and Inhibitor Binding to Pank | | 分子名称: | ACETYL COENZYME *A, GLYCEROL, Pantothenate kinase 3 | | 著者 | Yun, M.-K, White, S.W. | | 登録日 | 2010-04-14 | | 公開日 | 2010-09-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Modulation of Pantothenate Kinase 3 Activity by Small Molecules that Interact with the Substrate/Allosteric Regulatory Domain.
Chem.Biol., 17, 2010
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8I2Z
 | | Cryo-EM structure of the zeaxanthin-bound kin4B8 | | 分子名称: | RETINAL, Xanthorhodopsin, Zeaxanthin | | 著者 | Murakoshi, S, Chazan, A, Shihoya, W, Beja, O, Nureki, O. | | 登録日 | 2023-01-15 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-04-19 | | 実験手法 | ELECTRON MICROSCOPY (2 Å) | | 主引用文献 | Phototrophy by antenna-containing rhodopsin pumps in aquatic environments.
Nature, 615, 2023
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7NB0
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8UG3
 | | Crystal structure of KHK-C and compound 23 | | 分子名称: | 2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one, GLYCEROL, Ketohexokinase, ... | | 著者 | Durbin, J.D, Guo, S.Y. | | 登録日 | 2023-10-05 | | 公開日 | 2023-12-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor.
J.Med.Chem., 66, 2023
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8UG1
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