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Structure paper

TitlePredicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models.
Journal, issue, pagesJ Chem Theory Comput, Vol. 14, Page 2721-2732, Year 2018
Publish dateNov 9, 2017 (structure data deposition date)
AuthorsMeng, Y. / Gao, C. / Clawson, D.K. / Atwell, S. / Russell, M. / Vieth, M. / Roux, B.
External linksJ Chem Theory Comput / PubMed:29474075
MethodsX-ray diffraction
Resolution2.5 Å
Structure data

PDB-6bl8:
Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-PVB:
PURVALANOL B

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Abl

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