2OFU

x-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to Lck

Summary for 2OFU

• Entry DOI: 10.2210/pdb2ofu/pdb
• Descriptor: Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION, 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE, ... (4 entities in total)
• Functional Keywords: lck, kinase domain, transferase
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P06239
• Total number of polymer chains: 1
• Total formula weight: 32433.97

Authors

Huang, X. (deposition date: 2007-01-04, release date: 2007-02-27, Last modification date: 2023-11-15)

• Primary citation: Martin, M.W.,Newcomb, J.,Nunes, J.J.,McGowan, D.C.,Armistead, D.M.,Boucher, C.,Buchanan, J.L.,Buckner, W.,Chai, L.,Elbaum, D.,Epstein, L.F.,Faust, T.,Flynn, S.,Gallant, P.,Gore, A.,Gu, Y.,Hsieh, F.,Huang, X.,Lee, J.H.,Metz, D.,Middleton, S.,Mohn, D.,Morgenstern, K.,Morrison, M.J.,Novak, P.M.,Oliveira-dos-Santos, A.,Powers, D.,Rose, P.,Schneider, S.,Sell, S.,Tudor, Y.,Turci, S.M.,Welcher, A.A.,White, R.D.,Zack, D.,Zhao, H.,Zhu, L.,Zhu, X.,Ghiron, C.,Amouzegh, P.,Ermann, M.,Jenkins, J.,Johnston, D.,Napier, S.,Power, E.; Novel 2-Aminopyrimidine Carbamates as Potent and Orally Active Inhibitors of Lck: Synthesis, SAR, and in Vivo Antiinflammatory Activity; J.Med.Chem., 49:4981-, 2006; PubMed: 16884310; DOI: 10.1021/jm060435i

Experimental method

X-RAY DIFFRACTION (2 Å)