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7BE7
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BU of 7be7 by Molmil
Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ...
著者Costanzi, E, Demitri, N, Giabbai, B, Storici, P.
登録日2020-12-22
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
7BGP
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BU of 7bgp by Molmil
Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in absence of DTT.
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ...
著者Costanzi, E, Demitri, N, Giabbai, B, Storici, P.
登録日2021-01-08
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
8OKL
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BU of 8okl by Molmil
Crystal structure of F2F-2020185-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Costanzi, E, Demitri, N, Storici, P.
登録日2023-03-28
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8OKK
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BU of 8okk by Molmil
Crystal structure of F2F-2020184-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Costanzi, E, Demitri, N, Storici, P.
登録日2023-03-28
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8OKM
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BU of 8okm by Molmil
Crystal structure of F2F-2020197-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Costanzi, E, Demitri, N, Storici, P.
登録日2023-03-28
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8OKN
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BU of 8okn by Molmil
Crystal structure of F2F-2020198-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Costanzi, E, Demitri, N, Storici, P.
登録日2023-03-28
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
7BB2
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BU of 7bb2 by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.6A resolution (spacegroup P2(1)2(1)2(1))
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ...
著者Costanzi, E, Demitri, N, Giabbai, B, Storici, P.
登録日2020-12-16
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
1IQH
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BU of 1iqh by Molmil
Human coagulation factor Xa in complex with M55143
分子名称: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQJ
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BU of 1iqj by Molmil
Human coagulation factor Xa in complex with M55124
分子名称: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQI
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BU of 1iqi by Molmil
Human coagulation factor Xa in complex with M55125
分子名称: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-2-PIPERAZINECARBOXYLIC ACID, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IOE
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BU of 1ioe by Molmil
Human coagulation factor Xa in complex with M55532
分子名称: (-)-7-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]TETRAHYDRO-8A-(METHOXYMETHYL)-1'-(4-PYRIDINYL)-SPIRO[5H-OXAZOLO[3,2-A]PYRAZINE-2(3H),4'-PIPERIDIN]-5-ONE, CALCIUM ION, COAGULATION FACTOR XA
著者Shiromizu, I, Matsusue, T.
登録日2001-03-08
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Factor Xa Specific Inhibitor That Induces the Novel Binding Model In Complex With Human FXa
To be Published
2ZDT
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BU of 2zdt by Molmil
Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor
分子名称: 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid, GLYCEROL, Mitogen-activated protein kinase 10
著者Sogabe, S, Asano, Y, Fukumoto, S, Habuka, N, Fujishima, A.
登録日2007-11-27
公開日2008-09-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (2)
Bioorg.Med.Chem., 16, 2008
1IQE
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BU of 1iqe by Molmil
Human coagulation factor Xa in complex with M55590
分子名称: 4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-THIOMORPHOLINE-1,1-DIOXIDE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQM
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BU of 1iqm by Molmil
Human coagulation factor Xa in complex with M54471
分子名称: 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQK
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BU of 1iqk by Molmil
Human coagulation factor Xa in complex with M55113
分子名称: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQF
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BU of 1iqf by Molmil
Human coagulation factor Xa in complex with M55165
分子名称: (2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQL
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BU of 1iql by Molmil
Human coagulation factor Xa in complex with M54476
分子名称: 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQG
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BU of 1iqg by Molmil
Human coagulation factor Xa in complex with M55159
分子名称: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQN
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BU of 1iqn by Molmil
Human coagulation factor Xa in complex with M55192
分子名称: 4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINYL]CARBONYL]MORPHOLINE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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