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3BYO

X-Ray co-crystal structure of 2-amino-6-phenylpyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one 25 bound to Lck

Summary for 3BYO
Entry DOI10.2210/pdb3byo/pdb
Related3BYM
DescriptorProto-oncogene tyrosine-protein kinase LCK, SULFATE ION, 6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one, ... (4 entities in total)
Functional Keywordslck, 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 sourceHomo sapiens (human)
Cellular locationCytoplasm: P06239
Total number of polymer chains1
Total formula weight32052.55
Authors
Huang, X. (deposition date: 2008-01-16, release date: 2008-12-30, Last modification date: 2023-11-15)
Primary citationMartin, M.W.,Newcomb, J.,Nunes, J.J.,Boucher, C.,Chai, L.,Epstein, L.F.,Faust, T.,Flores, S.,Gallant, P.,Gore, A.,Gu, Y.,Hsieh, F.,Huang, X.,Kim, J.L.,Middleton, S.,Morgenstern, K.,Oliveira-dos-Santos, A.,Patel, V.F.,Powers, D.,Rose, P.,Tudor, Y.,Turci, S.M.,Welcher, A.A.,Zack, D.,Zhao, H.,Zhu, L.,Zhu, X.,Ghiron, C.,Ermann, M.,Johnston, D.,Saluste, C.G.
Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity.
J.Med.Chem., 51:1637-1648, 2008
Cited by
PubMed: 18278858
DOI: 10.1021/jm701095m
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2 Å)
Structure validation

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