3UGC

Structural basis of Jak2 inhibition by the type II inhibtor NVP-BBT594

Summary for 3UGC

• Entry DOI: 10.2210/pdb3ugc/pdb
• Descriptor: Tyrosine-protein kinase JAK2, 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide, MALONATE ION, ... (4 entities in total)
• Functional Keywords: small molecule inhibitor, atp binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Endomembrane system ; Peripheral membrane protein : O60674
• Total number of polymer chains: 1
• Total formula weight: 35202.15

Authors

Scheufler, C.,Tavares, G.A.,Manley, P.W.,Pissot-Soldermann, C.,Kroemer, M. (deposition date: 2011-11-02, release date: 2012-05-16, Last modification date: 2023-09-13)

• Primary citation: Andraos, R.,Qian, Z.,Bonenfant, D.,Rubert, J.,Vangrevelinghe, E.,Scheufler, C.,Marque, F.,Regnier, C.H.,De Pover, A.,Ryckelynck, H.,Bhagwat, N.,Koppikar, P.,Goel, A.,Wyder, L.,Tavares, G.,Baffert, F.,Pissot-Soldermann, C.,Manley, P.W.,Gaul, C.,Voshol, H.,Levine, R.L.,Sellers, W.R.,Hofmann, F.,Radimerski, T.; Modulation of activation-loop phosphorylation by JAK inhibitors is binding mode dependent.; Cancer Discov, 2:512-523, 2012; PubMed: 22684457; DOI: 10.1158/2159-8290.CD-11-0324

Experimental method

X-RAY DIFFRACTION (1.34 Å)