2G1A
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![BU of 2g1a by Molmil](/molmil-images/mine/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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3CZ4
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![BU of 3cz4 by Molmil](/molmil-images/mine/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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2WOR
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![BU of 2wor by Molmil](/molmil-images/mine/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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2WOS
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![BU of 2wos by Molmil](/molmil-images/mine/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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3C0A
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![BU of 3c0a by Molmil](/molmil-images/mine/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
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![BU of 3bnz by Molmil](/molmil-images/mine/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
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![BU of 3byx by Molmil](/molmil-images/mine/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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3BZ0
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![BU of 3bz0 by Molmil](/molmil-images/mine/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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3C06
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![BU of 3c06 by Molmil](/molmil-images/mine/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
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![BU of 2heg by Molmil](/molmil-images/mine/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
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![BU of 2hf7 by Molmil](/molmil-images/mine/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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3IK1
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![BU of 3ik1 by Molmil](/molmil-images/mine/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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3IJZ
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![BU of 3ijz by Molmil](/molmil-images/mine/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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3IK0
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![BU of 3ik0 by Molmil](/molmil-images/mine/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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2Y52
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![BU of 2y52 by Molmil](/molmil-images/mine/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
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![BU of 2y5d by Molmil](/molmil-images/mine/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
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![BU of 2y51 by Molmil](/molmil-images/mine/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
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![BU of 2y53 by Molmil](/molmil-images/mine/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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4LRR
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![BU of 4lrr by Molmil](/molmil-images/mine/4lrr) | Ternary complex between E. coli thymidylate synthase, dUMP, and F9 | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate, SULFATE ION, ... | 著者 | Mangani, S, Pozzi, C, Ferrari, S, Costi, M.P. | 登録日 | 2013-07-20 | 公開日 | 2013-11-06 | 最終更新日 | 2013-12-11 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | 2'-Deoxyuridine 5'-Monophosphate Substrate Displacement in Thymidylate Synthase through 6-Hydroxy-2H-naphtho[1,8-bc]furan-2-one Derivatives. J.Med.Chem., 56, 2013
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2W3P
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![BU of 2w3p by Molmil](/molmil-images/mine/2w3p) | BoxC crystal structure | 分子名称: | BENZOYL-COA-DIHYDRODIOL LYASE, BETA-MERCAPTOETHANOL, GLYCEROL | 著者 | Bains, J, Boulanger, M.J. | 登録日 | 2008-11-13 | 公開日 | 2009-04-14 | 最終更新日 | 2017-07-05 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural and Biophysical Characterization of Boxc from Burkholderia Xenovorans Lb400: A Novel Ring-Cleaving Enzyme in the Crotonase Superfamily. J.Biol.Chem., 284, 2009
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8I2Z
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![BU of 8i2z by Molmil](/molmil-images/mine/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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![BU of 7nb0 by Molmil](/molmil-images/mine/7nb0) | |
7YTB
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![BU of 7ytb by Molmil](/molmil-images/mine/7ytb) | Crystal structure of Kin4B8 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Kin4B8, RETINAL | 著者 | Murakoshi, S, Chazan, A, Shihoya, W, Beja, O, Nureki, O. | 登録日 | 2022-08-14 | 公開日 | 2023-03-15 | 最終更新日 | 2023-03-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Phototrophy by antenna-containing rhodopsin pumps in aquatic environments. Nature, 615, 2023
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8UG3
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![BU of 8ug3 by Molmil](/molmil-images/mine/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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![BU of 8ug1 by Molmil](/molmil-images/mine/8ug1) | |