4TZR
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561
Summary for 4TZR
Entry DOI | 10.2210/pdb4tzr/pdb |
Descriptor | Calmodulin-domain protein kinase 1, 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol (3 entities in total) |
Functional Keywords | serine/threonine protein kinase, transferase, calcium-binding, atp-binding, bumped kinase inhibitor |
Biological source | Toxoplasma gondii |
Total number of polymer chains | 1 |
Total formula weight | 55617.35 |
Authors | Merritt, E.A. (deposition date: 2014-07-10, release date: 2014-08-27, Last modification date: 2023-12-27) |
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 Å) |
Structure validation
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