9MI4
Crystal structure of calcium-dependent protein kinase 1 (CDPK1) from Cryptosporidium parvum in complex with inhibitor WIN-3-115
This is a non-PDB format compatible entry.
Summary for 9MI4
| Entry DOI | 10.2210/pdb9mi4/pdb |
| Descriptor | Calmodulin-domain protein kinase 1, CALCIUM ION, (6M)-6-(2,4-dichlorophenyl)-8-(2-hydroxyethyl)-2-[3-(methanesulfonyl)anilino]pyrido[2,3-d]pyrimidin-7(8H)-one, ... (5 entities in total) |
| Functional Keywords | ssgcid, structural genomics, seattle structural genomics center for infectious disease, transferase, cryptosporidium parvum, cdpk1 |
| Biological source | Cryptosporidium parvum Iowa II |
| Total number of polymer chains | 1 |
| Total formula weight | 57395.75 |
| Authors | Seattle Structural Genomics Center for Infectious Disease,Seattle Structural Genomics Center for Infectious Disease (SSGCID) (deposition date: 2024-12-12, release date: 2025-12-17, Last modification date: 2026-05-13) |
| Primary citation | Wijitrmektong, W.,Choi, R.,Hulverson, M.A.,Liu, L.,Cooper, A.,Battaile, K.P.,Harmon, E.K.,Dayao, D.A.,Huerta, L.,Tzipori, S.,McNamara, C.W.,Bakowski, M.A.,Lovell, S.,Van Voorhis, W.C.,Cuny, G.D. Structure-guided design of calcium-dependent protein kinase 1 (CDPK1) inhibitors for cryptosporidiosis. J.Infect.Dis., 2026 Cited by PubMed Abstract: Calcium-dependent protein kinase 1 (CDPK1) has emerged as a protozoan specific target for the treatment of cryptosporidiosis. A previous study identified pyridopyrimidinones as new Cryptosporidium parvum (Cp) CDPK1 inhibitors with potent growth inhibition against C. parvum and C. hominis. Docking analyses suggested the unique positioning of the kinase's αC-helix could present refinement opportunities. PubMed: 42081373DOI: 10.1093/infdis/jiag242 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.94 Å) |
Structure validation
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