5P6C
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5P3J
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5P6S
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4Y3N
| Endothiapepsin in complex with fragment 273 | 分子名称: | 2-[(1S)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-N,N-dimethylacetamide, ACETATE ION, Endothiapepsin, ... | 著者 | Krimmer, S.G, Heine, A, Klebe, G. | 登録日 | 2015-02-10 | 公開日 | 2016-02-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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5RCQ
| PanDDA analysis group deposition -- Endothiapepsin ground state model 11 | 分子名称: | Endothiapepsin | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5P28
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5P6M
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4Y3Y
| Endothiapepsin in complex with fragment B42 | 分子名称: | 2-AMINO-4-METHYL-PENTAN-1-OL, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | 登録日 | 2015-02-10 | 公開日 | 2016-02-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.346 Å) | 主引用文献 | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. Acta Crystallogr.,Sect.F, 72, 2016
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5P1C
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5P4A
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5P18
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5P87
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5P2Q
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4LP9
| Endothiapepsin complexed with Phe-reduced-Tyr peptide. | 分子名称: | Endothiapepsin, GLYCEROL, SULFATE ION, ... | 著者 | Guo, J, Cooper, J.B, Wood, S.P. | 登録日 | 2013-07-15 | 公開日 | 2014-01-15 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | The structure of endothiapepsin complexed with a Phe-Tyr reduced-bond inhibitor at 1.35 angstrom resolution. Acta Crystallogr F Struct Biol Commun, 70, 2014
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3T7P
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3Q6Y
| Endothiapepsin in complex with a pyrrolidine based inhibitor | 分子名称: | (3S,4S)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate), DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Koester, H, Heine, A, Klebe, G. | 登録日 | 2011-01-04 | 公開日 | 2012-01-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.351 Å) | 主引用文献 | Endothiapepsin in complex with a pyrrolidine based inhibitor To be Published
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5P7W
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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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5IS4
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5P36
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5P3R
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5P1J
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1OD1
| Endothiapepsin PD135,040 complex | 分子名称: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION | 著者 | Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Cooper, J.B. | 登録日 | 2003-02-12 | 公開日 | 2003-06-12 | 最終更新日 | 2012-11-30 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | The Structure of Endothiapepsin Complexed with the Gem-Diol Inhibitor Pd-135,040 at 1.37 A Acta Crystallogr.,Sect.D, 59, 2003
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5OZD
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4L6B
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