Cryptosporidium parvum KRS in complex with DDD01827593
收藏DataCite Commons2026-02-23 更新2026-05-03 收录
下载链接：
https://doi.esrf.fr/10.15151/ESRF-DC-2358617433
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资源简介：
Data collection for the crystal stucture of CpKRS in complex with an inhibitor DDD01827593, part of a larger paper with several crystal structures. A fused dihydropyrrolidino-pyrimidine hit with low lipophilicity and excellent ligand efficiency (LE=0.4, LLE 4.9) was identified in a biochemical screen of the Global Health Chemical Diversity Library (GHCDL) against Plasmodium lysyl-tRNA synthetase (KRS). A structurally enabled lead optimization campaign led to the identification of analogues with potent parasite growth inhibition, excellent biochemical and cellular selectivity (>1000 fold).
提供机构：
European Synchrotron Radiation Facility
创建时间：
2026-02-23
