3PMU
Endothiapepsin in complex with a fragment
Summary for 3PMU
| Entry DOI | 10.2210/pdb3pmu/pdb |
| Related | 3PB5 3PBD 3PBZ 3PCW 3PCZ 3PGI 3PI0 3PLD 3PLL 3PM4 3PMY |
| Descriptor | Endothiapepsin, (2S)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol (3 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 | 34067.17 |
| Authors | Koester, H.,Heine, A.,Klebe, G. (deposition date: 2010-11-18, release date: 2011-11-02, Last modification date: 2023-09-20) |
| 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 (1.43 Å) |
Structure validation
Download full validation report
