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8AEB
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BU of 8aeb by Molmil
SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(pyridin-3-ylmethyl)thioformamide, ...
著者Hanoulle, X, Charton, J, Deprez, B.
登録日2022-07-12
公開日2023-03-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses.
Eur.J.Med.Chem., 250, 2023
2YPU
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BU of 2ypu by Molmil
human insulin degrading enzyme E111Q in complex with inhibitor compound 41367
分子名称: 2-[[2-[[(2S)-3-(3H-IMIDAZOL-4-YL)-1-METHOXY-1-OXO-PROPAN-2-YL]AMINO]-2-OXO-ETHYL]-(PHENYLMETHYL)AMINO]ETHANOIC ACID, INSULIN-DEGRADING ENZYME, ZINC ION
著者Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.-J.
登録日2012-11-01
公開日2012-11-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Imidazole-Derived 2-[N-Carbamoylmethyl-Alkylamino]Acetic Acids,Substrate-Dependent Modulators of Insulin-Degrading Enzyme in Amyloid-Beta Hydrolysis
Eur J Med Chem, 79C, 2014
3QZ2
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BU of 3qz2 by Molmil
The structure of cysteine-free human insulin degrading enzyme
分子名称: Insulin-degrading enzyme, ZINC ION
著者Guo, Q, Tang, W.J.
登録日2011-03-04
公開日2012-01-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-beta hydrolysis.
Eur.J.Med.Chem., 79, 2014
4QIA
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BU of 4qia by Molmil
Crystal structure of human insulin degrading enzyme (ide) in complex with inhibitor N-benzyl-N-(carboxymethyl)glycyl-L-histidine
分子名称: Insulin-degrading enzyme, N-benzyl-N-(carboxymethyl)glycyl-L-histidine, ZINC ION
著者Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J.
登録日2014-05-30
公開日2015-05-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.202 Å)
主引用文献Structure-activity relationships of imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, dual binders of human insulin-degrading enzyme.
Eur.J.Med.Chem., 90, 2015
4GSF
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BU of 4gsf by Molmil
The structure analysis of cysteine free insulin degrading enzyme (ide) with (s)-2-{2-[carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3h-imidazol-4-yl)-propionic acid methyl ester
分子名称: Insulin-degrading enzyme, ZINC ION, methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate
著者Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J.
登録日2012-08-27
公開日2013-08-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-activity relationships of imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, dual binders of human insulin-degrading enzyme.
Eur.J.Med.Chem., 90, 2015
4DTT
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BU of 4dtt by Molmil
Crystal structure of human insulin degrading enzyme (ide) in complex with compund 41367
分子名称: 2-[[2-[[(2S)-3-(3H-IMIDAZOL-4-YL)-1-METHOXY-1-OXO-PROPAN-2-YL]AMINO]-2-OXO-ETHYL]-(PHENYLMETHYL)AMINO]ETHANOIC ACID, Insulin-degrading enzyme, ZINC ION
著者Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J.
登録日2012-02-21
公開日2013-02-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-beta hydrolysis.
Eur.J.Med.Chem., 79, 2014
4GS8
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BU of 4gs8 by Molmil
Structure analysis of cysteine free insulin degrading enzyme (ide) with compound bdm43079 [{[(s)-2-(1h-imidazol-4-yl)-1-methylcarbamoyl-ethylcarbamoyl]-methyl}-(3-phenyl-propyl)-amino]-acetic acid
分子名称: Insulin-degrading enzyme, N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide, ZINC ION
著者Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J.
登録日2012-08-27
公開日2013-08-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-beta hydrolysis.
Eur.J.Med.Chem., 79, 2014
4GSC
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BU of 4gsc by Molmil
Structure analysis of insulin degrading enzyme with compound bdm41559 ((s)-2-[2-(carboxymethyl-phenethyl-amino)-acetylamino]-3-(1h-imidazol-4-yl)-propionic acid methyl ester)
分子名称: Insulin-degrading enzyme, ZINC ION, methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate
著者Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J.
登録日2012-08-27
公開日2013-08-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-beta hydrolysis.
Eur.J.Med.Chem., 79, 2014
4DWK
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BU of 4dwk by Molmil
Structure of cystein free insulin degrading enzyme with compound bdm41671 ((s)-2-{2-[carboxymethyl-(3-phenyl-propyl)-amino]-acetylamino}-3-(1h-imidazol-4-yl)-propionic acid methyl ester)
分子名称: Insulin-degrading enzyme, ZINC ION, methyl N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-L-histidinate
著者Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J.
登録日2012-02-24
公開日2013-04-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-beta hydrolysis.
Eur.J.Med.Chem., 79, 2014
7NTS
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BU of 7nts by Molmil
Crystal structure of the SARS-CoV-2 Main Protease with oxidized C145
分子名称: DIMETHYL SULFOXIDE, FORMIC ACID, GLYCEROL, ...
著者Dupre, E, Villeret, V, Hanoulle, X.
登録日2021-03-10
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.477 Å)
主引用文献NMR Spectroscopy of the Main Protease of SARS-CoV-2 and Fragment-Based Screening Identify Three Protein Hotspots and an Antiviral Fragment.
Angew.Chem.Int.Ed.Engl., 60, 2021
4IFH
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BU of 4ifh by Molmil
Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM44619
分子名称: Insulin-degrading enzyme, N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide, ZINC ION
著者Liang, W.G, Guo, Q, Deprez, R, Deprez, B, Tang, W.
登録日2012-12-14
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.286 Å)
主引用文献Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015
7NTQ
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BU of 7ntq by Molmil
Crystal structure of the SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Dupre, E, Villeret, V, Hanoulle, X.
登録日2021-03-10
公開日2022-03-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.495 Å)
主引用文献Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses.
Eur.J.Med.Chem., 250, 2023
7P51
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BU of 7p51 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2 MAIN PROTEASE COMPLEXED WITH FRAGMENT F01
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide, ...
著者Hanoulle, X, Moschidi, D.
登録日2021-07-13
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.474 Å)
主引用文献NMR Spectroscopy of the Main Protease of SARS-CoV-2 and Fragment-Based Screening Identify Three Protein Hotspots and an Antiviral Fragment.
Angew.Chem.Int.Ed.Engl., 60, 2021
4NXO
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BU of 4nxo by Molmil
Crystal Structure of Insulin Degrading Enzyme in complex with BDM44768
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Liang, W.G, Deprez, R, Deprez, B, Tang, W.
登録日2013-12-09
公開日2015-10-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015
4RE9
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BU of 4re9 by Molmil
Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 71290
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-fluoro-N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-5-yl}methyl)benzamide, ...
著者Liang, W.G, Deprez, R, Deprez, B, Tang, W.J.
登録日2014-09-22
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.908 Å)
主引用文献Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015

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