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Structure paper

TitleStructural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Journal, issue, pagesSci Rep, Vol. 7, Page 7501-7501, Year 2017
Publish dateAug 31, 2010 (structure data deposition date)
AuthorsCounago, R.M. / Allerston, C.K. / Savitsky, P. / Azevedo, H. / Godoi, P.H. / Wells, C.I. / Mascarello, A. / de Souza Gama, F.H. / Massirer, K.B. / Zuercher, W.J. ...Counago, R.M. / Allerston, C.K. / Savitsky, P. / Azevedo, H. / Godoi, P.H. / Wells, C.I. / Mascarello, A. / de Souza Gama, F.H. / Massirer, K.B. / Zuercher, W.J. / Guimaraes, C.R.W. / Gileadi, O.
External linksSci Rep / PubMed:28790404
MethodsX-ray diffraction
Resolution2 - 2.4 Å
Structure data

PDB-3op5:
Human vaccinia-related kinase 1
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-5ukf:
Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-5uu1:
Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to BI-D1870
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5uvf:
Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-REB:
[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-8E1:
4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide

ChemComp-PO4:
PHOSPHATE ION

ChemComp-CL:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-7DZ:
(7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Adenosine Triphosphate / Amino Acid Sequence / Binding Sites / Catalytic Domain / Models / Molecular / Molecular Sequence Data / Phosphotransferases / Protein Conformation / Protein Folding / Surface Entropy Reduction / Structural Genomics / Structural Genomics Consortium / SGC / Transferase/Transferase Inhibitor / protein kinase domain / Transferase-Transferase Inhibitor Complex

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