4KUP
 
 | | Endothiapepsin in complex with 20mM acylhydrazone inhibitor | | 分子名称: | (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Radeva, N, Heine, A, Klebe, G. | | 登録日 | 2013-05-22 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.311 Å) | | 主引用文献 | Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4LBT
 | | Endothiapepsin in complex with 100mM acylhydrazone inhibitor | | 分子名称: | (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | 著者 | Radeva, N, Heine, A, Winquist, J, Klebe, G. | | 登録日 | 2013-06-21 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.251 Å) | | 主引用文献 | Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4LHH
 | | Endothiapepsin in complex with 2mM acylhydrazone inhibitor | | 分子名称: | (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Radeva, N, Heine, A, Klebe, G. | | 登録日 | 2013-07-01 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
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5HCT
 | | Endothiapepsin in complex with biacylhydrazone | | 分子名称: | 1,2-ETHANEDIOL, 2-amino-N'-{3-[(E)-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1H-indol-2-yl)propanehydrazide (non-preferred name), ACETATE ION, ... | | 著者 | Radeva, N, Heine, A, Klebe, G. | | 登録日 | 2016-01-04 | | 公開日 | 2016-07-20 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry.
Angew.Chem.Int.Ed.Engl., 55, 2016
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