3PGI
Endothiapepsin in complex with a fragment
Summary for 3PGI
Entry DOI | 10.2210/pdb3pgi/pdb |
Related | 3PB5 3PBD 3PBZ 3PCW 3PCZ 3PI0 3PLD 3PM4 3PMU 3PMY |
Descriptor | Endothiapepsin, N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide, GLYCEROL, ... (4 entities in total) |
Functional Keywords | hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Cryphonectria parasitica (Chesnut blight fungus) |
Total number of polymer chains | 1 |
Total formula weight | 34168.25 |
Authors | Koester, H.,Heine, A.,Klebe, G. (deposition date: 2010-11-02, release date: 2011-10-26, Last modification date: 2024-10-09) |
Primary citation | Koster, H.,Craan, T.,Brass, S.,Herhaus, C.,Zentgraf, M.,Neumann, L.,Heine, A.,Klebe, G. A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes. J.Med.Chem., 54:7784-7796, 2011 Cited by PubMed: 21972967DOI: 10.1021/jm200642w PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
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