Brand  (β version)

PDB ID: 3TT0

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Ligands
Code Name Style Show Link
07J 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea PoSSuM
SO4 Sulfate ion PoSSuM
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Structure summary

Code : 3TT0   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Co-structure of Fibroblast Growth Factor Receptor 1 kinase domain with 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (BGJ398)
Release Data : 2012-06-13
Compound :
mol_id molecule chains synonym
1 Basic fibroblast growth factor receptor 1 A,B FGFR-1, bFGF-R-1, Fms-like tyrosine kinase 2, FLT-2, Proto-oncogene c-Fgr
ec: 2.7.10.1
fragment: kinase domain, UNP residues 456-769
mutation: C584S
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Trichoplusia ni  (taxid:7111)
gene: FGFR1, FGFBR, FLG, FLT2
expression_system_common: Cabbage looper
expression_system_cell_line: TN5
Authors : Bussiere, D.E., Murray, J.M., Shu, W.
Keywords : kinase domain, TRANSFERASE, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.800 Å )
Citation :

Discovery of 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (NVP-BGJ398), a potent and selective inhibitor of the fibroblast growth factor receptor family of receptor tyrosine kinase.

Guagnano, V.,Furet, P.,Spanka, C.  et al.
(2011)  J.Med.Chem.  54 : 7066 - 7083

PubMed: 21936542
DOI: 10.1021/jm2006222

Reaction

Chain : A, B
UniProt : P11362 (FGFR1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-tyrosyl-[protein] = ADP + H(+) + O-phospho-L-tyrosyl- [protein] 2.7.10.1 PROSITE-ProRule:PRU10028, PubMed:1379697, PubMed:15117958, PubMed:18480409, PubMed:19224897, PubMed:19665973, PubMed:20133753, PubMed:8622701
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