6BFA
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1553
Summary for 6BFA
Entry DOI | 10.2210/pdb6bfa/pdb |
Related | 4ONA 4TZR 4WG5 |
Descriptor | Calmodulin-domain protein kinase 1, 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol (3 entities in total) |
Functional Keywords | bumped kinase inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Toxoplasma gondii |
Total number of polymer chains | 1 |
Total formula weight | 55616.36 |
Authors | Merritt, E.A. (deposition date: 2017-10-26, release date: 2017-12-06, Last modification date: 2024-04-03) |
Primary citation | Vidadala, R.S.,Rivas, K.L.,Ojo, K.K.,Hulverson, M.A.,Zambriski, J.A.,Bruzual, I.,Schultz, T.L.,Huang, W.,Zhang, Z.,Scheele, S.,DeRocher, A.E.,Choi, R.,Barrett, L.K.,Siddaramaiah, L.K.,Hol, W.G.,Fan, E.,Merritt, E.A.,Parsons, M.,Freiberg, G.,Marsh, K.,Kempf, D.J.,Carruthers, V.B.,Isoherranen, N.,Doggett, J.S.,Van Voorhis, W.C.,Maly, D.J. Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis. J. Med. Chem., 59:6531-6546, 2016 Cited by PubMed: 27309760DOI: 10.1021/acs.jmedchem.6b00760 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.8 Å) |
Structure validation
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