Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor
4BI0
Primary Citation
 
 
  •   Molecular Description Hide
    Classification: Transferase
    Structure Weight: 36967.63
    Molecule: DUAL SPECIFICITY PROTEIN KINASE TTK
    Polymer: 1 Type: protein Length: 313
    Chains: A
    EC#: 2.7.12.1   
    Fragment: KINASE DOMAIN, RESIDUES 518-807
    Organism: Homo sapiens
    Gene Names: Gene View for TTK MPS1 MPS1L1
    UniProtKB: Protein Feature View | Search PDB | P33981  
     
  •   Structure Validation Hide

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  •   Related Citations in PDB Entry (REMARK 1) Hide
     
  •   Source Hide
    Polymer: 1
    Scientific Name: Homo sapiens   Taxonomy   Common Name: Human Expression System: Escherichia coli  
     
  •   Related PDB Entries Hide
    Identifier Details
    4BHZ   SCAFFOLD FOCUSED VIRTUAL SCREENING: PROSPECTIVE APPLICATION TO THE DISCOVERY OF TTK INHIBITOR 
    4BI1   SCAFFOLD FOCUSED VIRTUAL SCREENING: PROSPECTIVE APPLICATION TO THE DISCOVERY OF TTK INHIBITOR 
    4BI2   SCAFFOLD FOCUSED VIRTUAL SCREENING: PROSPECTIVE APPLICATION TO THE DISCOVERY OF TTK INHIBITOR 
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name View Interactions
    7PE
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    7PE C14 H30 O7
    2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL
    7PE:4BI0
    EDO
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    EDO C2 H6 O2
    1,2-ETHANEDIOL
    Z0W
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    Z0W C10 H7 N3
    5H-pyrimido[5,4-b]indole
    Z0W:4BI0
     
  •   External Domain Annotations Hide
     
  •   Structural Biology Knowledgebase Data Hide
     
 
Data in orange boxes are gathered from external resources (when available).
  Biological Assembly       
Biological assembly 1 assigned by authors and generated by PISA (software)
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