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Structure paper

TitleSynthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Journal, issue, pagesBioorg. Med. Chem., Vol. 21, Page 5707-5724, Year 2013
Publish dateFeb 20, 2013 (structure data deposition date)
AuthorsAllen, C.E. / Chow, C.L. / Caldwell, J.J. / Westwood, I.M. / van Montfort, R.L. / Collins, I.
External linksBioorg. Med. Chem. / PubMed:23920481
MethodsX-ray diffraction
Resolution1.65 - 2.1 Å
Structure data

PDB-3zo1:
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3zo2:
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-3zo3:
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3zo4:
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-SIJ:
6-(1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE

ChemComp-GOL:
GLYCEROL

ChemComp-MOH:
METHANOL

ChemComp-HOH:
WATER

ChemComp-15I:
6-(2,9-Diazaspiro[5.5]undecan-9-yl)-9H-purine

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-QNI:
6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE

ChemComp-QWI:
6-(4-PHENYL-1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

Source
  • bos taurus (domestic cattle)
KeywordsTRANSFERASE/INHIBITOR / TRANSFERASE-INHIBITOR COMPLEX

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