3ZV7
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![BU of 3zv7 by Molmil](/molmil-images/mine/3zv7) | Torpedo californica Acetylcholinesterase Inhibition by Bisnorcymserine | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Bartolucci, C, Stojan, J, Greig, N.H, Lamba, D. | 登録日 | 2011-07-24 | 公開日 | 2012-05-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Kinetics of Torpedo Californica Acetylcholinesterase Inhibition by Bisnorcymserine and Crystal Structure of the Complex with its Leaving Group. Biochem.J., 444, 2012
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2J4C
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![BU of 2j4c by Molmil](/molmil-images/mine/2j4c) | Structure of human Butyrylcholinesterase in complex with 10mM HgCl2 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Colletier, J.P, Frasco, M.F, Carvalho, F, Guilhermino, L, Stojan, J, Fournier, D, Weik, M. | 登録日 | 2006-08-28 | 公開日 | 2007-03-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Mechanisms of Cholinesterase Inhibition by Inorganic Mercury. FEBS J., 274, 2007
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1SB1
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![BU of 1sb1 by Molmil](/molmil-images/mine/1sb1) | Novel Non-Covalent Thrombin Inhibitors Incorporating P1 4,5,6,7-Tetrahydrobenzothiazole Arginine Side Chain Mimetics | 分子名称: | N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE, Prothrombin, SODIUM ION, ... | 著者 | Marinko, P, Krbavcic, A, Mlinsek, G, Solmajer, T, Trampus-Bakija, A, Stegnar, M, Stojan, J, Kikelj, D. | 登録日 | 2004-02-09 | 公開日 | 2004-06-08 | 最終更新日 | 2011-11-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Novel non-covalent thrombin inhibitors incorporating P(1) 4,5,6,7-tetrahydrobenzothiazole arginine side chain mimetics Eur.J.Med.Chem., 39, 2004
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3QWH
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![BU of 3qwh by Molmil](/molmil-images/mine/3qwh) | Crystal structure of the 17beta-hydroxysteroid dehydrogenase from Cochliobolus lunatus in complex with NADPH and kaempferol | 分子名称: | 17beta-hydroxysteroid dehydrogenase, 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, DI(HYDROXYETHYL)ETHER, ... | 著者 | Cassetta, A, Lamba, D, Krastanova, I, Stojan, J, Rizner, T.L, Kristan, K, Brunskole, M. | 登録日 | 2011-02-28 | 公開日 | 2012-03-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Structural basis for inhibition of 17 beta-hydroxysteroid dehydrogenases by phytoestrogens: The case of fungal 17 beta-HSDcl. J. Steroid Biochem. Mol. Biol., 171, 2017
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3QWF
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![BU of 3qwf by Molmil](/molmil-images/mine/3qwf) | Crystal structure of the 17beta-hydroxysteroid dehydrogenase from Cochliobolus lunatus | 分子名称: | 17beta-hydroxysteroid dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Cassetta, A, Lamba, D, Krastanova, I, Stojan, J, Lanisnik-Rizner, T, Kristan, K, Brunskole, M. | 登録日 | 2011-02-28 | 公開日 | 2012-01-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Structural Studies on a Fungal 17Beta-Hydroxysteroid Dehydrogenase Biochem.J., 441, 2012
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3QWI
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![BU of 3qwi by Molmil](/molmil-images/mine/3qwi) | Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus Cochliobolus lunatus in complex with NADPH and coumestrol | 分子名称: | 1,2-ETHANEDIOL, 17beta-hydroxysteroid dehydrogenase, Coumestrol, ... | 著者 | Cassetta, A, Lamba, D, Krastanova, I, Stojan, J, Lanisnik Rizner, T, Kristan, K, Brunskole, M. | 登録日 | 2011-02-28 | 公開日 | 2012-01-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural studies on the flavonoid inhibition of a fungal 17Beta-Hydroxysteroid dehydrogenase Biochem.J., 441, 2012
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4W63
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![BU of 4w63 by Molmil](/molmil-images/mine/4w63) | TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-BENZOFURAN HYBRID INHIBITOR | 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, Acetylcholinesterase, ... | 著者 | Pesaresi, A, Samez, S, Lamba, D. | 登録日 | 2014-08-20 | 公開日 | 2015-09-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography. J.Med.Chem., 59, 2016
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7ZPB
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![BU of 7zpb by Molmil](/molmil-images/mine/7zpb) | Structure of hemiacetylated human butyrylcholinesterase upon reaction with 8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinoline-2-carbaldehyde | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | 登録日 | 2022-04-27 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
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7ZW3
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![BU of 7zw3 by Molmil](/molmil-images/mine/7zw3) | |
4TPK
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![BU of 4tpk by Molmil](/molmil-images/mine/4tpk) | Human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-methoxyethyl)-2-naphthamide | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Coquelle, N, Brus, B, Colletier, J.P, Gobec, S. | 登録日 | 2014-06-07 | 公開日 | 2014-10-22 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor. J.Med.Chem., 57, 2014
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5NN0
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![BU of 5nn0 by Molmil](/molmil-images/mine/5nn0) | Crystal structure of huBChE with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-(dimethylamino)ethyl)-2-naphthamide. | 分子名称: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Coquelle, N, Brus, B, Colletier, J.P. | 登録日 | 2017-04-07 | 公開日 | 2018-03-14 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Magic of Crystal Structure-Based Inhibitor Optimization: Development of a Butyrylcholinesterase Inhibitor with Picomolar Affinity and in Vivo Activity. J. Med. Chem., 61, 2018
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7QBR
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![BU of 7qbr by Molmil](/molmil-images/mine/7qbr) | Human butyrylcholinesterase in complex with (Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | 登録日 | 2021-11-19 | 公開日 | 2022-11-30 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
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7QBQ
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![BU of 7qbq by Molmil](/molmil-images/mine/7qbq) | Human butyrylcholinesterase in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide | 分子名称: | 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | 登録日 | 2021-11-19 | 公開日 | 2022-11-30 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
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7BO3
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![BU of 7bo3 by Molmil](/molmil-images/mine/7bo3) | Human Butyrylcholinesterase in complex with N-(2-(1H-Indol-3-yl)ethyl)-2-cycloheptyl-N-methylethan-1-amine | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brazzolotto, X, Meden, A, Knez, D, Nachon, F, Gobec, S. | 登録日 | 2021-01-23 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series. Eur.J.Med.Chem., 234, 2022
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7BO4
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![BU of 7bo4 by Molmil](/molmil-images/mine/7bo4) | Human Butyrylcholinesterase in complex with 3-(2-(butyl(2-cycloheptylethyl)amino)ethyl)-1H-indol-6-ol | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brazzolotto, X, Meden, A, Knez, D, Nachon, F, Gobec, S. | 登録日 | 2021-01-23 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | 主引用文献 | From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series. Eur.J.Med.Chem., 234, 2022
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5DYY
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![BU of 5dyy by Molmil](/molmil-images/mine/5dyy) | Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)naphthalene-2-sulfonamide | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Coquelle, N, Brus, B, Colletier, J.P. | 登録日 | 2015-09-25 | 公開日 | 2017-01-18 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Development of an in-vivo active reversible butyrylcholinesterase inhibitor. Sci Rep, 6, 2016
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5DYW
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![BU of 5dyw by Molmil](/molmil-images/mine/5dyw) | Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Coquelle, N, Brus, B, Colletier, J.P. | 登録日 | 2015-09-25 | 公開日 | 2017-01-18 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Development of an in-vivo active reversible butyrylcholinesterase inhibitor. Sci Rep, 6, 2016
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5DYT
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![BU of 5dyt by Molmil](/molmil-images/mine/5dyt) | Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-methylnaphthalene-2-sulfonamide | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Coquelle, N, Brus, B, Colletier, J.P. | 登録日 | 2015-09-25 | 公開日 | 2016-10-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Development of an in-vivo active reversible butyrylcholinesterase inhibitor. Sci Rep, 6, 2016
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3IS3
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![BU of 3is3 by Molmil](/molmil-images/mine/3is3) | |
3ITD
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![BU of 3itd by Molmil](/molmil-images/mine/3itd) | |
2C5G
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![BU of 2c5g by Molmil](/molmil-images/mine/2c5g) | Torpedo californica acetylcholinesterase in complex with 20mM thiocholine | 分子名称: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | 著者 | Colletier, J.P, Fournier, D, Greenblatt, H.M, Sussman, J.L, Zaccai, G, Silman, I, Weik, M. | 登録日 | 2005-10-27 | 公開日 | 2006-06-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural Insights Into Substrate Traffic and Inhibition in Acetylcholinesterase. Embo J., 25, 2006
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2C4H
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![BU of 2c4h by Molmil](/molmil-images/mine/2c4h) | Torpedo californica acetylcholinesterase in complex with 500mM acetylthiocholine | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ACETYL GROUP, ... | 著者 | Colletier, J.P, Fournier, D, Greenblatt, H.M, Sussman, J.L, Zaccai, G, Silman, I, Weik, M. | 登録日 | 2005-10-19 | 公開日 | 2006-06-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural insights into substrate traffic and inhibition in acetylcholinesterase. EMBO J., 25, 2006
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2C5F
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![BU of 2c5f by Molmil](/molmil-images/mine/2c5f) | Torpedo californica acetylcholinesterase in complex with a non hydrolysable substrate analogue, 4-oxo-N,N,N-trimethylpentanaminium | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, ACETYLCHOLINESTERASE, ... | 著者 | Colletier, J.P, Fournier, D, Greenblatt, H.M, Sussman, J.L, Zaccai, G, Silman, I, Weik, M. | 登録日 | 2005-10-27 | 公開日 | 2006-06-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural Insights Into Substrate Traffic and Inhibition in Acetylcholinesterase. Embo J., 25, 2006
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2C58
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![BU of 2c58 by Molmil](/molmil-images/mine/2c58) | Torpedo californica acetylcholinesterase in complex with 20mM acetylthiocholine | 分子名称: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | 著者 | Colletier, J.P, Fournier, D, Greenblatt, H.M, Sussman, J.L, Zaccai, G, Silman, I, Weik, M. | 登録日 | 2005-10-26 | 公開日 | 2006-06-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Insights Into Substrate Traffic and Inhibition in Acetylcholinesterase. Embo J., 25, 2006
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6RUA
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![BU of 6rua by Molmil](/molmil-images/mine/6rua) | Structure of recombinant human butyrylcholinesterase in complex with a coumarin-based fluorescent probe linked to sulfonamide type inhibitor. | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Coquelle, N, Knez, D, Brus, B, Gobec, S, Colletier, J.P. | 登録日 | 2019-05-27 | 公開日 | 2020-01-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes. J Enzyme Inhib Med Chem, 35, 2020
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