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Structure paper

TitleInhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 18, Page 2776-, Year 2008
Publish dateJun 27, 2008 (structure data deposition date)
AuthorsBardelle, C. / Cross, D. / Davenport, S. / Kettle, J.G. / Ko, E.J. / Leach, A.G. / Mortlock, A. / Read, J. / Roberts, N.J. / Robins, P. / Williams, E.J.
External linksBioorg. Med. Chem. Lett. / PubMed:18434142
MethodsX-ray diffraction
Resolution1.9 - 2.1 Å
Structure data

PDB-2vwu:
ephB4 kinase domain inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2vwv:
ephB4 kinase domain inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2vww:
ephB4 kinase domain inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2vx0:
ephB4 kinase domain inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-7X1:
N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine

ChemComp-HOH:
WATER

ChemComp-7X3:
N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE

ChemComp-7X2:
N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE

ChemComp-7X7:
N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE

ChemComp-MG:
Unknown entry

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / TYROSINE-PROTEIN KINASE / RECEPTOR TYROSINE KINASE / KINASE / MUTANT / MEMBRANE / RECEPTOR / ATP-BINDING / POLYMORPHISM / GLYCOPROTEIN / TRANSMEMBRANE / PHOSPHOPROTEIN / UNPHOSPHORYLATED / NUCLEOTIDE-BINDING

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