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TitleDesign of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Journal, issue, pagesChembiochem, Vol. 19, Page 613-621, Year 2018
Publish dateApr 12, 2017 (structure data deposition date)
AuthorsJudge, R.A. / Vasudevan, A. / Scott, V.E. / Simler, G.H. / Pratt, S.D. / Namovic, M.T. / Putman, C.B. / Aguirre, A. / Stoll, V.S. / Mamo, M. ...Judge, R.A. / Vasudevan, A. / Scott, V.E. / Simler, G.H. / Pratt, S.D. / Namovic, M.T. / Putman, C.B. / Aguirre, A. / Stoll, V.S. / Mamo, M. / Swann, S.I. / Cassar, S.C. / Faltynek, C.R. / Kage, K.L. / Boyce-Rustay, J.M. / Hobson, A.D.
External linksChembiochem / PubMed:29314498
MethodsX-ray diffraction
Resolution1.61 - 2.37 Å
Structure data

PDB-5vhb:
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

PDB-5vi9:
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-5vib:
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.37 Å

Chemicals

ChemComp-9CY:
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide

ChemComp-HOH:
WATER

ChemComp-9D4:
N-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine

ChemComp-9D1:
3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol

Source
  • bos taurus (domestic cattle)
KeywordsTRANSFERASE / Kinase

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