4YFF

TNNI3K complexed with inhibitor 2

Summary for 4YFF

• Entry DOI: 10.2210/pdb4yff/pdb
• Related: 4YFI
• Descriptor: Serine/threonine-protein kinase TNNI3K, 3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide (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: 141422.81

Authors

Shewchuk, L.M.,Wang, L.,Lawhorn, B.G. (deposition date: 2015-02-25, release date: 2015-09-23, Last modification date: 2024-02-28)

• Primary citation: Lawhorn, B.G.,Philp, J.,Zhao, Y.,Louer, C.,Hammond, M.,Cheung, M.,Fries, H.,Graves, A.P.,Shewchuk, L.,Wang, L.,Cottom, J.E.,Qi, H.,Zhao, H.,Totoritis, R.,Zhang, G.,Schwartz, B.,Li, H.,Sweitzer, S.,Holt, D.A.,Gatto, G.J.,Kallander, L.S.; Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K).; J.Med.Chem., 58:7431-7448, 2015; PubMed: 26355916; DOI: 10.1021/acs.jmedchem.5b00931

Experimental method

X-RAY DIFFRACTION (3.07 Å)