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PDBsum entry 2vwx

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protein ligands metals links
Transferase PDB id
2vwx
Jmol
Contents
Protein chain
274 a.a. *
Ligands
7X4
Metals
_MG ×4
Waters ×274
* Residue conservation analysis
PDB id:
2vwx
Name: Transferase
Title: Ephb4 kinase domain inhibitor complex
Structure: Ephrin type-b receptor 4. Chain: a. Fragment: kinase domain, residues 598-899. Synonym: ephb4 receptor tyrosine kinase, tyrosine-protein kinase receptor htk, tyrosine-protein kinase tyro11. Engineered: yes. Mutation: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108. Expression_system_cell_line: sf21.
Resolution:
1.65Å     R-factor:   0.168     R-free:   0.209
Authors: J.Read,C.A.Brassington,I.Green,E.J.Mccall,A.L.Valentine, D.Barratt,A.G.Leach,J.G.Kettle
Key ref: C.Bardelle et al. (2008). Inhibitors of the tyrosine kinase EphB4. Part 2: structure-based discovery and optimisation of 3,5-bis substituted anilinopyrimidines. Bioorg Med Chem Lett, 18, 5717-5721. PubMed id: 18851911 DOI: 10.1016/j.bmcl.2008.09.087
Date:
27-Jun-08     Release date:   28-Oct-08    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P54760  (EPHB4_HUMAN) -  Ephrin type-B receptor 4
Seq:
Struc:
 
Seq:
Struc:
987 a.a.
274 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.2.7.10.1  - Receptor protein-tyrosine kinase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
ATP
+ [protein]-L-tyrosine
= ADP
+ [protein]-L-tyrosine phosphate
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     protein phosphorylation   1 term 
  Biochemical function     transferase activity, transferring phosphorus-containing groups     4 terms  

 

 
    reference    
 
 
DOI no: 10.1016/j.bmcl.2008.09.087 Bioorg Med Chem Lett 18:5717-5721 (2008)
PubMed id: 18851911  
 
 
Inhibitors of the tyrosine kinase EphB4. Part 2: structure-based discovery and optimisation of 3,5-bis substituted anilinopyrimidines.
C.Bardelle, T.Coleman, D.Cross, S.Davenport, J.G.Kettle, E.J.Ko, A.G.Leach, A.Mortlock, J.Read, N.J.Roberts, P.Robins, E.J.Williams.
 
  ABSTRACT  
 
Crystallographic studies of a range of 3-substituted anilinopyrimidine inhibitors of EphB4 have highlighted two alternative C-2 aniline conformations and this discovery has been exploited in the design of a highly potent series of 3,5-disubstituted anilinopyrimidines. The observed range of cellular activities has been rationalised on the basis of physicochemical and structural characteristics.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
21441027 B.Barlaam, R.Ducray, C.Lambert-van der Brempt, P.Plé, C.Bardelle, N.Brooks, T.Coleman, D.Cross, J.G.Kettle, and J.Read (2011).
Inhibitors of the tyrosine kinase EphB4. Part 4: Discovery and optimization of a benzylic alcohol series.
  Bioorg Med Chem Lett, 21, 2207-2211.
PDB code: 2xvd
20224755 B.Mosch, B.Reissenweber, C.Neuber, and J.Pietzsch (2010).
Eph receptors and ephrin ligands: important players in angiogenesis and tumor angiogenesis.
  J Oncol, 2010, 135285.  
20179713 E.B.Pasquale (2010).
Eph receptors and ephrins in cancer: bidirectional signalling and beyond.
  Nat Rev Cancer, 10, 165-180.  
20803239 G.Martiny-Baron, P.Holzer, E.Billy, C.Schnell, J.Brueggen, M.Ferretti, N.Schmiedeberg, J.M.Wood, P.Furet, and P.Imbach (2010).
The small molecule specific EphB4 kinase inhibitor NVP-BHG712 inhibits VEGF driven angiogenesis.
  Angiogenesis, 13, 259-267.  
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time. Where a reference describes a PDB structure, the PDB code is shown on the right.