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Structure paper

TitleStructure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B.
Journal, issue, pagesBioorg. Med. Chem., Vol. 14, Page 1255-1273, Year 2006
Publish dateSep 12, 2005 (structure data deposition date)
AuthorsCollins, I. / Caldwell, J. / Fonseca, T. / Donald, A. / Bavetsias, V. / Hunter, L.J. / Garrett, M.D. / Rowlands, M.G. / Aherne, G.W. / Davies, T.G. ...Collins, I. / Caldwell, J. / Fonseca, T. / Donald, A. / Bavetsias, V. / Hunter, L.J. / Garrett, M.D. / Rowlands, M.G. / Aherne, G.W. / Davies, T.G. / Berdini, V. / Woodhead, S.J. / Davis, D. / Seavers, L.C. / Wyatt, P.G. / Workman, P. / McDonald, E.
External linksBioorg. Med. Chem. / PubMed:16249095
MethodsX-ray diffraction
Resolution1.95 - 2 Å
Structure data

PDB-2c1a:
Structure of cAMP-dependent protein kinase complexed with Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino) ethyl)amide
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-2c1b:
Structure of cAMP-dependent protein kinase complexed with (4R,2S)-5'-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-I5S:
ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE

ChemComp-HOH:
WATER

ChemComp-CQP:
(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE

Source
  • bos taurus (domestic cattle)
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / COMPLEX (TRANSFERASE-INHIBITOR) / ATP-BINDING / CAMP / PHOSPHORYLATION / TRANSFERASE / SERINE/THREONINE-PROTEIN KINASE / PROTEIN KINASE INHIBITOR / TRANSFERASE-INHIBITOR complex

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