7QUE

The STK17A (DRAK1) Kinase Domain Bound to CKJB68

Summary for 7QUE

• Entry DOI: 10.2210/pdb7que/pdb
• Descriptor: Serine/threonine-protein kinase 17A, ~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide (3 entities in total)
• Functional Keywords: kinase small-molecule binder inhibitor macrocycle, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 63867.32

Authors

Mathea, S.,Preuss, F.,Chatterjee, D.,Dederer, V.,Kurz, C.G.,Amrhein, J.A.,Hanke, T.,Knapp, S. (deposition date: 2022-01-17, release date: 2022-02-02, Last modification date: 2024-01-31)

• Primary citation: Kurz, C.G.,Preuss, F.,Tjaden, A.,Cusack, M.,Amrhein, J.A.,Chatterjee, D.,Mathea, S.,Berger, L.M.,Berger, B.T.,Kramer, A.,Weller, M.,Weiss, T.,Muller, S.,Knapp, S.,Hanke, T.; Illuminating the Dark: Highly Selective Inhibition of Serine/Threonine Kinase 17A with Pyrazolo[1,5- a ]pyrimidine-Based Macrocycles.; J.Med.Chem., 65:7799-7817, 2022; PubMed: 35608370; DOI: 10.1021/acs.jmedchem.2c00173

Experimental method

X-RAY DIFFRACTION (2.4 Å)