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7E19
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BU of 7e19 by Molmil
Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor SH-5
分子名称: (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate, 3C-like proteinase
著者Senda, M, Konno, S, Hayashi, Y, Senda, T.
登録日2021-02-01
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents.
J.Med.Chem., 65, 2022
7XLP
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BU of 7xlp by Molmil
MEK1 bound to DS03090629
分子名称: (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H.
登録日2022-04-22
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
7XNC
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BU of 7xnc by Molmil
MEK1 bound to DS94070624
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H.
登録日2022-04-28
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
2ZC0
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BU of 2zc0 by Molmil
Crystal structure of an archaeal alanine:glyoxylate aminotransferase
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Alanine glyoxylate transaminase, IMIDAZOLE, ...
著者Sakuraba, H, Yoneda, K, Tsuge, H, Ohshima, T.
登録日2007-10-31
公開日2008-06-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of an archaeal alanine:glyoxylate aminotransferase
Acta Crystallogr.,Sect.D, 64, 2008
5X1J
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BU of 5x1j by Molmil
Vanillate/3-O-methylgallate O-demethylase, LigM, vanillate complex form
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-HYDROXY-3-METHOXYBENZOATE, ...
著者Harada, A, Senda, T.
登録日2017-01-26
公開日2017-05-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6
FEBS J., 284, 2017
5X1K
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BU of 5x1k by Molmil
Vanillate/3-O-methylgallate O-demethylase, LigM, 3-O-methylgallate complex form
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methoxy-4,5-bis(oxidanyl)benzoic acid, ...
著者Harada, A, Senda, T.
登録日2017-01-26
公開日2017-05-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6
FEBS J., 284, 2017
5X1N
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BU of 5x1n by Molmil
Vanillate/3-O-methylgallate O-demethylase, LigM, protocatechuate-tetrahydrofolate complex form
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Harada, A, Senda, T.
登録日2017-01-26
公開日2017-05-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6
FEBS J., 284, 2017
5X1I
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BU of 5x1i by Molmil
Vanillate/3-O-methylgallate O-demethylase, LigM, substrate free form
分子名称: 1,2-ETHANEDIOL, Vanillate/3-O-methylgallate O-demethylase
著者Harada, A, Senda, T.
登録日2017-01-26
公開日2017-05-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6
FEBS J., 284, 2017
5X1M
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BU of 5x1m by Molmil
Vanillate/3-O-methylgallate O-demethylase, LigM, protocatechuate-tetrahydrofolate complex form
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Harada, A, Senda, T.
登録日2017-01-26
公開日2017-05-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6
FEBS J., 284, 2017
5X1L
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BU of 5x1l by Molmil
Vanillate/3-O-methylgallate O-demethylase, LigM, tetrahydrofolate complex form
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, Vanillate/3-O-methylgallate O-demethylase
著者Harada, A, Senda, T.
登録日2017-01-26
公開日2017-05-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6
FEBS J., 284, 2017
1L4V
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BU of 1l4v by Molmil
SOLUTION STRUCTURE OF SAPECIN
分子名称: Sapecin
著者Hanzawa, H, Iwai, H, Takeuchi, K, Kuzuhara, T, Komano, H, Kohda, D, Inagaki, F, Natori, S, Arata, Y, Shimada, I.
登録日2002-03-06
公開日2002-03-27
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献1H nuclear magnetic resonance study of the solution conformation of an antibacterial protein, sapecin.
FEBS Lett., 269, 1990
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