3LPB

Crystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor

Summary for 3LPB

• Entry DOI: 10.2210/pdb3lpb/pdb
• Related: 3KRR
• Descriptor: Tyrosine-protein kinase JAK2, N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide (3 entities in total)
• Functional Keywords: small molecule inhibitor, atp site kinase inhibitor, novartis product nvp-blu040, atp-binding, chromosomal rearrangement, disease mutation, kinase, membrane, nucleotide-binding, phosphoprotein, polymorphism, proto-oncogene, sh2 domain, transferase, tyrosine-protein kinase
• Biological source: Homo sapiens (human)
• Cellular location: Endomembrane system; Peripheral membrane protein (By similarity): O60674
• Total number of polymer chains: 2
• Total formula weight: 70376.01

Authors

Tavares, G.A.,Pissot-Soldermann, C.,Gerspacher, M.,Furet, P.,Kroemer, M. (deposition date: 2010-02-05, release date: 2010-04-28, Last modification date: 2023-11-22)

• Primary citation: Pissot-Soldermann, C.,Gerspacher, M.,Furet, P.,Gaul, C.,Holzer, P.,McCarthy, C.,Radimerski, T.,Regnier, C.H.,Baffert, F.,Drueckes, P.,Tavares, G.A.,Vangrevelinghe, E.,Blasco, F.,Ottaviani, G.,Ossola, F.,Scesa, J.,Reetz, J.; Discovery and SAR of potent, orally available 2,8-diaryl-quinoxalines as a new class of JAK2 inhibitors; Bioorg.Med.Chem.Lett., 20:2609-2613, 2010; PubMed: 20231096; DOI: 10.1016/j.bmcl.2010.02.056

Experimental method

X-RAY DIFFRACTION (2 Å)