4N1B
| STRUCTURE OF KEAP1 KELCH DOMAIN WITH(1S,2R)-2-[(1S)-1-[(1-oxo-2,3-dihydro-1H-isoindol-2-Yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-Carbonyl]cyclohexane-1-carboxylic acid | 分子名称: | (1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | 著者 | Smith, M.A, Duclos, S, Beaumont, E, Kwong, J, Brooks, M, Barker, J, Jnoff, E, Brookfield, F, Courade, J.P, Barker, O, Fryatt, T, Albrecht, C, Bromidge, S. | 登録日 | 2013-10-03 | 公開日 | 2014-02-19 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014
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3L6C
| X-ray crystal structure of rat serine racemase in complex with malonate a potent inhibitor | 分子名称: | MALONATE ION, MANGANESE (II) ION, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Smith, M.A, Mack, V, Ebneth, A, Moraes, I, Felicetti, B, Wood, M, Schonfeld, D, Mather, O, Cesura, A, Barker, J. | 登録日 | 2009-12-23 | 公開日 | 2010-01-26 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The structure of mammalian serine racemase: evidence for conformational changes upon inhibitor binding. J.Biol.Chem., 285, 2010
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3L6R
| The structure of mammalian serine racemase: Evidence for conformational changes upon inhibitor binding | 分子名称: | MALONATE ION, MANGANESE (II) ION, Serine racemase | 著者 | Smith, M.A, Mack, V, Ebneth, A, Cesura, A, Felicetti, B, Barker, J. | 登録日 | 2009-12-24 | 公開日 | 2010-01-26 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The structure of mammalian serine racemase: evidence for conformational changes upon inhibitor binding. J.Biol.Chem., 285, 2010
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3L6B
| X-ray crystal structure of human serine racemase in complex with malonate a potent inhibitor | 分子名称: | MALONATE ION, MANGANESE (II) ION, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Smith, M.A, Barker, J, Mack, V, Ebneth, A, Moraes, I, Felicetti, B, Cesura, A. | 登録日 | 2009-12-23 | 公開日 | 2010-01-26 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The structure of mammalian serine racemase: evidence for conformational changes upon inhibitor binding. J.Biol.Chem., 285, 2010
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4GXP
| Chimeric Family 1 beta-glucosidase made with non-contiguous SCHEMA | 分子名称: | Beta-glucosidase Chimeric protein | 著者 | Smith, M.A, Romero, P.A, Wu, T, Brustad, E.M, Arnold, F.H. | 登録日 | 2012-09-04 | 公開日 | 2013-01-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Chimeragenesis of distantly-related proteins by noncontiguous recombination. Protein Sci., 22, 2013
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3HMK
| Crystal Structure of Serine Racemase | 分子名称: | MANGANESE (II) ION, PYRIDOXAL-5'-PHOSPHATE, Serine racemase | 著者 | Smith, M.A, Barker, J, Mack, V, Ebneth, A, Felicetti, B, Woods, M. | 登録日 | 2009-05-29 | 公開日 | 2010-01-26 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The structure of mammalian serine racemase: evidence for conformational changes upon inhibitor binding. J.Biol.Chem., 285, 2010
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2WOH
| Strontium soaked E. coli copper amine oxidase | 分子名称: | CALCIUM ION, COPPER (II) ION, PRIMARY AMINE OXIDASE, ... | 著者 | Smith, M.A, Pirrat, P, Pearson, A.R, Knowles, P.F, Phillips, S.E.V, McPherson, M.J. | 登録日 | 2009-07-23 | 公開日 | 2010-05-05 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Exploring the Roles of the Metal Ions in Escherichia Coli Copper Amine Oxidase. Biochemistry, 49, 2010
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2WO0
| EDTA treated E. coli copper amine oxidase | 分子名称: | COPPER (II) ION, PRIMARY AMINE OXIDASE, SODIUM ION | 著者 | Smith, M.A, Pirrat, P, Pearson, A.R, Knowles, P.F, Phillips, S.E.V, McPherson, M.J. | 登録日 | 2009-07-21 | 公開日 | 2010-05-05 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Exploring the Roles of the Metal Ions in Escherichia Coli Copper Amine Oxidase. Biochemistry, 49, 2010
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2WOF
| EDTA treated E. coli copper amine oxidase | 分子名称: | COPPER (II) ION, PRIMARY AMINE OXIDASE, SODIUM ION | 著者 | Smith, M.A, Pirrat, P, Pearson, A.R, Knowles, P.F, Phillips, S.E.V, McPherson, M.J. | 登録日 | 2009-07-23 | 公開日 | 2010-05-05 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Exploring the Roles of the Metal Ions in Escherichia Coli Copper Amine Oxidase. Biochemistry, 49, 2010
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3MSK
| Fragment Based Discovery and Optimisation of BACE-1 Inhibitors | 分子名称: | 4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide, Beta-secretase 1, GLYCEROL, ... | 著者 | Smith, M.A, Madden, J.M, Barker, J, Godemann, R, Kraemer, J, Hallett, D. | 登録日 | 2010-04-29 | 公開日 | 2010-07-14 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fragment-based discovery and optimization of BACE1 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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5T8Q
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5T8O
| Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to Imidazobenzoxepin Compound 3 | 分子名称: | 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | 著者 | Smith, M.A, McEwan, P, Hymowitz, S.G. | 登録日 | 2016-09-08 | 公開日 | 2017-01-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J. Med. Chem., 60, 2017
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5T8P
| Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to benzoxepin compound 2 | 分子名称: | 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | 著者 | Smith, M.A, McEwan, P.A. | 登録日 | 2016-09-08 | 公開日 | 2017-01-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J. Med. Chem., 60, 2017
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6GRR
| Crystal structure of Escherichia coli amine oxidase mutant I342F/E573Q | 分子名称: | Amine oxidase, CALCIUM ION, COPPER (II) ION, ... | 著者 | Gaule, T.G, Smith, M.A, Tych, K.M, Pirrat, P, Trinh, C.H, Pearson, A.R, Knowles, P.F, McPherson, M.J. | 登録日 | 2018-06-12 | 公開日 | 2018-09-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Oxygen Activation Switch in the Copper Amine Oxidase of Escherichia coli. Biochemistry, 57, 2018
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6EZZ
| Crystal structure of Escherichia coli amine oxidase mutant E573Q | 分子名称: | CALCIUM ION, COPPER (II) ION, GLYCEROL, ... | 著者 | Gaule, T.G, Smith, M.A, Tych, K.M, Pirrat, P, Trinh, C.H, Pearson, A.R, Knowles, P.F, McPherson, M.J. | 登録日 | 2017-11-16 | 公開日 | 2018-08-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Oxygen Activation Switch in the Copper Amine Oxidase of Escherichia coli. Biochemistry, 57, 2018
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1YTQ
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4AKZ
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4AKY
| CRYSTAL STRUCTURE OF VIRB8 FROM BRUCELLA SUIS IN COMPLEX WITH INTERACTION INHIBITOR 2-(butylamino)-8-quinolinol | 分子名称: | 2-(butylamino)quinolin-8-ol, TYPE IV SECRETION SYSTEM PROTEIN VIRB8 | 著者 | Coincon, M, Smith, M.A, Sygusch, J, Baron, C. | 登録日 | 2012-02-29 | 公開日 | 2012-09-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Identification of the Binding Site of Brucella Virb8 Interaction Inhibitors. Chem.Biol., 19, 2012
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4AUE
| Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | 登録日 | 2012-05-17 | 公開日 | 2013-02-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum Acta Crystallogr.,Sect.D, 69, 2013
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4AUL
| Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | 分子名称: | CALCIUM ION, CATALASE-PHENOL OXIDASE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | 登録日 | 2012-05-18 | 公開日 | 2013-02-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum Acta Crystallogr.,Sect.D, 69, 2013
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4AUM
| Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | 分子名称: | CALCIUM ION, CATALASE-PHENOL OXIDASE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ... | 著者 | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | 登録日 | 2012-05-18 | 公開日 | 2013-02-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum Acta Crystallogr.,Sect.D, 69, 2013
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4AUN
| Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | 分子名称: | CALCIUM ION, CATALASE-PHENOL OXIDASE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE | 著者 | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | 登録日 | 2012-05-18 | 公開日 | 2013-02-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum Acta Crystallogr.,Sect.D, 69, 2013
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4L7D
| Structure of keap1 kelch domain with (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid | 分子名称: | (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | 著者 | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | 登録日 | 2013-06-13 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014
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4L7C
| Structure of keap1 kelch domain with 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione | 分子名称: | 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione, ACETATE ION, Kelch-like ECH-associated protein 1 | 著者 | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | 登録日 | 2013-06-13 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014
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4L7B
| Structure of keap1 kelch domain with (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid | 分子名称: | (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | 著者 | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | 登録日 | 2013-06-13 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014
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