6B5J

TNNI3K complexed with a 4,6-diaminopyrimidine

Summary for 6B5J

• Entry DOI: 10.2210/pdb6b5j/pdb
• Descriptor: Serine/threonine-protein kinase TNNI3K, N-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide (3 entities in total)
• Functional Keywords: kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Nucleus : Q59H18
• Total number of polymer chains: 4
• Total formula weight: 141247.10

Authors

Shewchuk, L.M.,Philp, J. (deposition date: 2017-09-29, release date: 2018-04-04, Last modification date: 2024-03-13)

• Primary citation: Philp, J.,Lawhorn, B.G.,Graves, A.P.,Shewchuk, L.,Rivera, K.L.,Jolivette, L.J.,Holt, D.A.,Gatto, G.J.,Kallander, L.S.; 4,6-Diaminopyrimidines as Highly Preferred Troponin I-Interacting Kinase (TNNI3K) Inhibitors.; J. Med. Chem., 61:3076-3088, 2018; PubMed: 29561151; DOI: 10.1021/acs.jmedchem.8b00125

Experimental method

X-RAY DIFFRACTION (2.97 Å)