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Structure paper

TitleBalanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit
Journal, issue, pagesBiochemistry, Vol. 43, Page 85-96, Year 2004
Publish dateNov 6, 2003 (structure data deposition date)
AuthorsAkamine, P. / Madhusudan / Brunton, L.L. / Ou, H.D. / Canaves, J.M. / Xuong, N.H. / Taylor, S.S.
External linksPubMed:14705934
MethodsX-ray diffraction
Resolution2.1 - 2.3 Å
Structure data

PDB-1re8:
Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 2
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-1rej:
Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 1
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-1rek:
Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 8
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-BD2:
3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXYBENZOYL)BENZOATE

ChemComp-OCT:
N-OCTANE

ChemComp-HOH:
WATER

ChemComp-B1L:
3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-HYDROXYBENZOATE

ChemComp-B8L:
3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE

ChemComp-PTL:
PENTANAL

Source
  • mus musculus (house mouse)
KeywordsTRANSFERASE / protein kinase / natural product inhibitor / ligand binding / specificity determinants / conformational malleability / specifity determinants

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