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TitleIdentification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K).
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 7431-7448, Year 2015
Publish dateFeb 25, 2015 (structure data deposition date)
AuthorsLawhorn, B.G. / Philp, J. / Zhao, Y. / Louer, C. / Hammond, M. / Cheung, M. / Fries, H. / Graves, A.P. / Shewchuk, L. / Wang, L. ...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.
External linksJ. Med. Chem. / PubMed:26355916
MethodsX-ray diffraction
Resolution2.7 - 3.07 Å
Structure data

PDB-4yff:
TNNI3K complexed with inhibitor 2
Method: X-RAY DIFFRACTION / Resolution: 3.07 Å

PDB-4yfi:
TNNI3K complexed with inhibitor 1
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-4CV:
3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide

ChemComp-HOH:
WATER

ChemComp-4CW:
N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / kinase / Transferase-Transferase Inhibitor complex

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