8DT5
 
 | | X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime RS170B (POX-hAChE-RS170B) | | 分子名称: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, DIETHYL PHOSPHONATE, ... | | 著者 | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | | 登録日 | 2022-07-25 | | 公開日 | 2022-11-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
|
|
8DT2
 | | X-ray structure of human acetylcholinesterase inhibited by paraoxon (POX-hAChE) | | 分子名称: | Acetylcholinesterase, DIETHYL PHOSPHONATE, DIMETHYL SULFOXIDE, ... | | 著者 | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | | 登録日 | 2022-07-25 | | 公開日 | 2022-11-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.803 Å) | | 主引用文献 | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
|
|
8DT7
 | | X-ray structure of human acetylcholinesterase in complex with oxime MMB4 (hAChE-MMB4) | | 分子名称: | 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, GLYCEROL, ... | | 著者 | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | | 登録日 | 2022-07-25 | | 公開日 | 2022-11-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.207 Å) | | 主引用文献 | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
|
|
8DT4
 | | X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime MMB4 (POX-hAChE-MMB4) | | 分子名称: | 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, DIETHYL PHOSPHONATE, ... | | 著者 | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | | 登録日 | 2022-07-25 | | 公開日 | 2022-11-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
|
|
7Q1O
 | | Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide | | 分子名称: | 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, CHLORIDE ION, ... | | 著者 | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | | 登録日 | 2021-10-20 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
|
|
7Q1P
 | | Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide | | 分子名称: | 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, CHLORIDE ION, ... | | 著者 | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | | 登録日 | 2021-10-20 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
|
|
7Q1N
 | | Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide | | 分子名称: | 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, CHLORIDE ION, ... | | 著者 | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | | 登録日 | 2021-10-20 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
|
|
7Q1M
 | | Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide | | 分子名称: | 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, CHLORIDE ION, ... | | 著者 | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | | 登録日 | 2021-10-20 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
|
|
8AXC
 | | Crystal structure of mouse Ces2c | | 分子名称: | Acylcarnitine hydrolase, CHLORIDE ION, NICOTINAMIDE, ... | | 著者 | Eisner, H, Riegler-Berket, L, Rodriguez Gamez, C, Sagmeister, T, Chalhoub, G, Darnhofer, B, Panikkaveetil Jawaharlal, J, Birner-Gruenberger, R, Pavkov-Keller, T, Haemmerle, G, Schoiswohl, G, Oberer, M. | | 登録日 | 2022-08-31 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | The Crystal Structure of Mouse Ces2c, a Potential Ortholog of Human CES2, Shows Structural Similarities in Substrate Regulation and Product Release to Human CES1.
Int J Mol Sci, 23, 2022
|
|
7W1L
 | | Crystal structure of carboxylesterase mutant from Thermobifida fusca with C8X | | 分子名称: | Carboxylesterase, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate | | 著者 | Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W. | | 登録日 | 2021-11-19 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization
Acs Catalysis, 12, 2022
|
|
7W1K
 | | Crystal structure of carboxylesterase from Thermobifida fusca | | 分子名称: | Carboxylesterase | | 著者 | Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W. | | 登録日 | 2021-11-19 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization
Acs Catalysis, 12, 2022
|
|
7W1J
 | | Crystal structure of carboxylesterase from Thermobifida fusca with J1K | | 分子名称: | 4-(2-hydroxyethylcarbamoyl)benzoic acid, Carboxylesterase | | 著者 | Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W. | | 登録日 | 2021-11-19 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization
Acs Catalysis, 12, 2022
|
|
7W1I
 | | Crystal structure of carboxylesterase mutant from Thermobifida fusca with C8X and C9C | | 分子名称: | 4-(2-hydroxyethyloxycarbonyl)benzoic acid, Carboxylesterase, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate | | 著者 | Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W. | | 登録日 | 2021-11-19 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization
Acs Catalysis, 12, 2022
|
|
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
|
|
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
|
|
7QHE
 | | Human Butyrylcholinesterase in complex with (S)-1-(4-((naphthalen-1-yl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | | 分子名称: | (3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | | 登録日 | 2021-12-12 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies.
Bioorg.Chem., 134, 2023
|
|
7QHD
 | | Human Butyrylcholinesterase in complex with (S)-1-(4-((2-(1H-indol-3-yl)ethyl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | | 分子名称: | (3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | | 登録日 | 2021-12-12 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies.
Bioorg.Chem., 134, 2023
|
|
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
|
|
8AI7
 | | Structure of carbamoylated human butyrylcholinesterase upon reaction with 3-(((2-cycloheptylethyl)(methyl)amino)methyl)-1H-indol-7-yl N,N-dimethylcarbamate | | 分子名称: | 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, 3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-ol, ... | | 著者 | Brazzolotto, X, Meden, A, Knez, D, Gobec, S, Nachon, F. | | 登録日 | 2022-07-25 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Pseudo-irreversible butyrylcholinesterase inhibitors: Structure-activity relationships, computational and crystallographic study of the N-dialkyl O-arylcarbamate warhead.
Eur.J.Med.Chem., 247, 2023
|
|
8GS4
 | |
7XN1
 | | Crystal structure of human acetylcholinesterase in complex with tacrine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Acetylcholinesterase, ... | | 著者 | Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J. | | 登録日 | 2022-04-27 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery
Int.J.Biol.Macromol., 210, 2022
|
|
7X8L
 | |
8EOR
 | | Liver carboxylesterase 1 | | 分子名称: | ETHYL ACETATE, Liver carboxylesterase 1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Zhang, Z, Yu, E. | | 登録日 | 2022-10-04 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (2.67 Å) | | 主引用文献 | High-resolution structural-omics of human liver enzymes.
Cell Rep, 42, 2023
|
|
8CGO
 | | Structure of human butyrylcholinesterase in complex with N-{[2-(benzyloxy)-3-methoxyphenyl]methyl}-N-[3-(2-fluorophenyl)propyl]cyclobutanamine | | 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, Pidany, F, Korabecny, J, Cahlikova, L, Nachon, F. | | 登録日 | 2023-02-06 | | 公開日 | 2023-06-14 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Highly selective butyrylcholinesterase inhibitors related to Amaryllidaceae alkaloids - Design, synthesis, and biological evaluation.
Eur.J.Med.Chem., 252, 2023
|
|
8AM1
 | | Human butyrylcholinesterase in complex with zinc and N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium | | 分子名称: | 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, AMMONIUM ION, ... | | 著者 | Nachon, F, Brazzolotto, X, Dias, J. | | 登録日 | 2022-08-02 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions.
Chembiochem, 23, 2022
|
|
