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Structure paper

TitleStructure-Based Design, Synthesis and Biological Evaluation of Potent Selective Macrocyclic Chk1 Inhibitors
Journal, issue, pagesTo be Published
Publish dateJan 27, 2007 (structure data deposition date)
AuthorsTong, Y. / Claiborne, A. / Stewart, K.D. / Park, C. / Kovar, P. / Chen, Z. / Credo, R.B. / Gwaltney, S.L. / Zhang, H. / Rosenberg, S.H. ...Tong, Y. / Claiborne, A. / Stewart, K.D. / Park, C. / Kovar, P. / Chen, Z. / Credo, R.B. / Gwaltney, S.L. / Zhang, H. / Rosenberg, S.H. / Sham, H.L. / Sowin, T.J. / Lin, N.H.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-2e9u:
Structure of h-CHK1 complexed with A780125
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2e9v:
Structure of h-CHK1 complexed with A859017
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-A25:
18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE

ChemComp-HOH:
WATER

ChemComp-85A:
18-CHLORO-2-OXO-17-[(PYRIDIN-4-YLMETHYL)AMINO]-2,3,11,12,13,14-HEXAHYDRO-1H,10H-4,8-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECINE-7-CARBONITRILE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Protein-inhibitor Complex

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