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PDB: 12 件

4TWY
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BU of 4twy by Molmil
Structure of SARS-3CL protease complex with a phenylbenzoyl (S,R)-N-decalin type inhibitor
分子名称: (2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal, 3C-like proteinase
著者Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A.
登録日2014-07-02
公開日2015-02-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors
Bioorg.Med.Chem., 23, 2015
5C5N
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BU of 5c5n by Molmil
Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (R,S)-N-decalin type inhibitor
分子名称: (2S)-3-(1H-imidazol-5-yl)-2-({[(3R,4aS,8aR)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal, 3C-like proteinase
著者Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A.
登録日2015-06-21
公開日2016-06-22
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Fused-ring structure of N-decalin as a novel scaffold for SARS 3CL protease inhibitors
to be published
5C5O
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BU of 5c5o by Molmil
Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (S,R)-N-decalin type inhibitor
分子名称: (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal, 3C-like proteinase
著者Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A.
登録日2015-06-21
公開日2016-06-22
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Fused-ring structure of N-decalin as a novel scaffold for SARS 3CL protease inhibitors
to be published
4TRY
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BU of 4try by Molmil
Structure of BACE1 complex with a HEA-type inhibitor
分子名称: Beta-secretase 1, GLU-ILE-TIH-THC-NVA
著者Akaji, K, Teruya, K, Akiyama, T, Sanjho, A, Yamashita, E, Nakagawa, A.
登録日2014-06-18
公開日2015-07-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure of BACE1 complex with an anti-HMC-type inhibitor
to be published
4WY3
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BU of 4wy3 by Molmil
Structure of SARS-3CL protease complex with a phenylbenzoyl (R,S)-N-decalin type inhibitor
分子名称: (2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal, 3C-like proteinase
著者Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A.
登録日2014-11-15
公開日2015-02-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors.
Bioorg.Med.Chem., 23, 2015
4TRW
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BU of 4trw by Molmil
Structure of BACE1 complex with a syn-HEA-type inhibitor
分子名称: Beta-secretase 1, L-alpha-glutamyl-L-isoleucyl-N-[(2R,3S)-1-{[(1S)-1-carboxybutyl]amino}-2-hydroxy-5-methylhexan-3-yl]-3-thiophen-2-yl-L-alaninamide
著者Akaji, K, Teruya, K, Akiyama, T, Sanjho, A, Yamashita, E, Nakagawa, A.
登録日2014-06-18
公開日2015-07-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Evaluation of transition-state mimics in a superior BACE1 cleavage sequence as peptide-mimetic BACE1 inhibitors
Bioorg.Med.Chem., 23, 2015
4TRZ
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BU of 4trz by Molmil
Structure of BACE1 complex with 2-thiophenyl HEA-type inhibitor
分子名称: 2-thiophenyl HEA-type inhibitor, Beta-secretase 1
著者Akaji, K, Teruya, K, Akiyama, T, Sanjho, A, Yamashita, E, Nakagawa, A.
登録日2014-06-18
公開日2015-07-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Evaluation of transition-state mimics in a superior BACE1 cleavage sequence as peptide-mimetic BACE1 inhibitors
Bioorg.Med.Chem., 23, 2015
4TWW
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BU of 4tww by Molmil
Structure of SARS-3CL protease complex with a Bromobenzoyl (S,R)-N-decalin type inhibitor
分子名称: (2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal, 3C-like proteinase
著者Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A.
登録日2014-07-02
公開日2015-02-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors
Bioorg.Med.Chem., 23, 2015
3AW0
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BU of 3aw0 by Molmil
Structure of SARS 3CL protease with peptidic aldehyde inhibitor
分子名称: 3C-Like Proteinase, peptide ACE-SER-ALA-VAL-LEU-HIS-H
著者Akaji, K, Konno, H, Mitsui, H, Teruya, K, Hattori, Y, Ozaki, T, Kusunoki, M, Sanjho, A.
登録日2011-03-09
公開日2011-12-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design, Synthesis, and Evaluation of Peptide-Mimetic SARS 3CL Protease Inhibitors.
J.Med.Chem., 54, 2011
3AW1
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BU of 3aw1 by Molmil
Structure of SARS 3CL protease auto-proteolysis resistant mutant in the absent of inhibitor
分子名称: 3C-Like Proteinase
著者Akaji, K, Konno, H, Mitsui, H, Teruya, K, Hattori, Y, Ozaki, T, Kusunoki, M, Sanjho, A.
登録日2011-03-09
公開日2011-12-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Design, Synthesis, and Evaluation of Peptide-Mimetic SARS 3CL Protease Inhibitors.
J.Med.Chem., 54, 2011
3ATW
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BU of 3atw by Molmil
Structure-Based Design, Synthesis, Evaluation of Peptide-mimetic SARS 3CL Protease Inhibitors
分子名称: 3C-Like Proteinase, peptide ACE-THR-VAL-ALC-HIS-H
著者Akaji, K, Konno, H, Mitsui, H, Teruya, K, Hattori, Y, Ozaki, T, Kusunoki, M, Sanjho, A.
登録日2011-01-20
公開日2011-12-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structure-Based Design, Synthesis, and Evaluation of Peptide-Mimetic SARS 3CL Protease Inhibitors.
J.Med.Chem., 54, 2011
3AVZ
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BU of 3avz by Molmil
Structure of SARS 3CL protease with peptidic aldehyde inhibitor containing cyclohexyl side chain
分子名称: 3C-Like Proteinase, peptide ACE-SER-ALA-VAL-ALC-HIS-H
著者Akaji, K, Konno, H, Mitsui, H, Teruya, K, Hattori, Y, Ozaki, T, Kusunoki, M, Sanjho, A.
登録日2011-03-09
公開日2011-12-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structure-Based Design, Synthesis, and Evaluation of Peptide-Mimetic SARS 3CL Protease Inhibitors.
J.Med.Chem., 54, 2011

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件を2024-05-15に公開中

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