3PB5
Endothiapepsin in complex with a fragment
Summary for 3PB5
Entry DOI | 10.2210/pdb3pb5/pdb |
Related | 3PBD 3PBZ 3PCW 3PGI 3PI0 3PLD 3PLL 3PM4 3PMU 3PMY 3POO |
Descriptor | Endothiapepsin, N-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine, 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 | 34110.17 |
Authors | Koester, H.,Heine, A.,Klebe, G. (deposition date: 2010-10-20, release date: 2011-10-19, Last modification date: 2018-03-07) |
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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