3BYU

co-crystal structure of Lck and aminopyrimidine reverse amide 23

Summary for 3BYU

• Entry DOI: 10.2210/pdb3byu/pdb
• Related: 2OFV 3BYS
• Descriptor: Proto-oncogene tyrosine-protein kinase LCK, 2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide (3 entities in total)
• Functional Keywords: lck, kinase domain, alternative splicing, atp-binding, chromosomal rearrangement, cytoplasm, disease mutation, host-virus interaction, lipoprotein, membrane, myristate, nucleotide-binding, palmitate, phosphoprotein, proto-oncogene, sh2 domain, sh3 domain, transferase, tyrosine-protein kinase
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: P06239
• Total number of polymer chains: 1
• Total formula weight: 32661.31

Authors

Huang, X. (deposition date: 2008-01-16, release date: 2008-09-16, Last modification date: 2023-08-30)

• Primary citation: DiMauro, E.F.,Newcomb, J.,Nunes, J.J.,Bemis, J.E.,Boucher, C.,Chai, L.,Chaffee, S.C.,Deak, H.L.,Epstein, L.F.,Faust, T.,Gallant, P.,Gore, A.,Gu, Y.,Henkle, B.,Hsieh, F.,Huang, X.,Kim, J.L.,Lee, J.H.,Martin, M.W.,McGowan, D.C.,Metz, D.,Mohn, D.,Morgenstern, K.A.,Oliveira-dos-Santos, A.,Patel, V.F.,Powers, D.,Rose, P.E.,Schneider, S.,Tomlinson, S.A.,Tudor, Y.Y.,Turci, S.M.,Welcher, A.A.,Zhao, H.,Zhu, L.,Zhu, X.; Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation.; J.Med.Chem., 51:1681-1694, 2008; PubMed: 18321037; DOI: 10.1021/jm7010996

Experimental method

X-RAY DIFFRACTION (2.3 Å)