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Structure paper

TitleSpectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Journal, issue, pagesMol. Cancer Ther., Vol. 15, Page 2273-2281, Year 2016
Publish dateAug 1, 2016 (structure data deposition date)
AuthorsChen, P. / Lee, N.V. / Hu, W. / Xu, M. / Ferre, R.A. / Lam, H. / Bergqvist, S. / Solowiej, J. / Diehl, W. / He, Y.A. ...Chen, P. / Lee, N.V. / Hu, W. / Xu, M. / Ferre, R.A. / Lam, H. / Bergqvist, S. / Solowiej, J. / Diehl, W. / He, Y.A. / Yu, X. / Nagata, A. / VanArsdale, T. / Murray, B.W.
External linksMol. Cancer Ther. / PubMed:27496135
MethodsX-ray diffraction
Resolution2.27 - 2.8 Å
Structure data

PDB-5l2i:
The X-ray co-crystal structure of human CDK6 and Palbociclib.
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

PDB-5l2s:
The X-ray co-crystal structure of human CDK6 and Abemaciclib.
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

PDB-5l2t:
The X-ray co-crystal structure of human CDK6 and Ribociclib.
Method: X-RAY DIFFRACTION / Resolution: 2.37 Å

PDB-5l2w:
The X-ray co-crystal structure of human CDK2/CyclinE and Dinaciclib.
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-LQQ:
6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE / medication, inhibitor*YM

ChemComp-6ZV:
N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py / medication, inhibitor*YM

ChemComp-HOH:
WATER

ChemComp-6ZZ:
7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide / medication, inhibitor*YM

ChemComp-1QK:
3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / cyclin-dependent kinase / kinase inhibitor / kinase selectivity / Transferase-Transferase Inhibitor complex / Transferase/Cell Cycle/Inhibitor / Transferase-Cell Cycle-Inhibitor complex

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