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Research Article

A Model of a MAPK•Substrate Complex in an Active Conformation: A Computational and Experimental Approach

  • Sunbae Lee equal contributor,

    equal contributor Contributed equally to this work with: Sunbae Lee, Mangalika Warthaka, Chunli Yan

    Affiliation: Division of Medicinal Chemistry, University of Texas at Austin, Austin, Texas, United States of America

    X
  • Mangalika Warthaka equal contributor,

    equal contributor Contributed equally to this work with: Sunbae Lee, Mangalika Warthaka, Chunli Yan

    Affiliation: Division of Medicinal Chemistry, University of Texas at Austin, Austin, Texas, United States of America

    X
  • Chunli Yan equal contributor,

    equal contributor Contributed equally to this work with: Sunbae Lee, Mangalika Warthaka, Chunli Yan

    Affiliation: Department of Biomedical Engineering, University of Texas at Austin, Austin, Texas, United States of America

    X
  • Tamer S. Kaoud,

    Affiliations: Division of Medicinal Chemistry, University of Texas at Austin, Austin, Texas, United States of America, Graduate Program in Pharmacy, University of Texas at Austin, Austin, Texas, United States of America

    X
  • Andrea Piserchio,

    Affiliation: Department of Chemistry, The City College of New York, New York, New York, United States of America

    X
  • Ranajeet Ghose,

    Affiliations: Department of Chemistry, The City College of New York, New York, New York, United States of America, The Graduate Center of The City University of New York, New York, New York, United States of America

    X
  • Pengyu Ren mail,

    kinases@me.com (KND); pren@mail.utexas.edu (PR)

    Affiliations: Department of Biomedical Engineering, University of Texas at Austin, Austin, Texas, United States of America, Graduate Program in Biomedical Engineering, University of Texas at Austin, Austin, Texas, United States of America

    X
  • Kevin N. Dalby mail

    kinases@me.com (KND); pren@mail.utexas.edu (PR)

    Affiliations: Division of Medicinal Chemistry, University of Texas at Austin, Austin, Texas, United States of America, Graduate Program in Pharmacy, University of Texas at Austin, Austin, Texas, United States of America, Graduate Program in Biomedical Engineering, University of Texas at Austin, Austin, Texas, United States of America, Graduate Program in Biochemistry, University of Texas at Austin, Austin, Texas, United States of America

    X
  • Published: April 11, 2011
  • DOI: 10.1371/journal.pone.0018594

About the Authors

Sunbae Lee, Mangalika Warthaka, Tamer S. Kaoud, Kevin N. Dalby
Division of Medicinal Chemistry, University of Texas at Austin, Austin, Texas, United States of America
Chunli Yan, Pengyu Ren
Department of Biomedical Engineering, University of Texas at Austin, Austin, Texas, United States of America
Tamer S. Kaoud, Kevin N. Dalby
Graduate Program in Pharmacy, University of Texas at Austin, Austin, Texas, United States of America
Andrea Piserchio, Ranajeet Ghose
Department of Chemistry, The City College of New York, New York, New York, United States of America
Ranajeet Ghose
The Graduate Center of The City University of New York, New York, New York, United States of America
Pengyu Ren, Kevin N. Dalby
Graduate Program in Biomedical Engineering, University of Texas at Austin, Austin, Texas, United States of America
Kevin N. Dalby
Graduate Program in Biochemistry, University of Texas at Austin, Austin, Texas, United States of America

Corresponding Authors

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: SL MW CY TSK AP RG PR KND. Performed the experiments: SL MW CY TSK AP. Analyzed the data: SL MW CY TSK AP RG PR KND. Contributed reagents/materials/analysis tools: SL MW CY TSK AP. Wrote the paper: SL MW CY AP RG PR KND.