单一兵
发布者：人员机构发布时间：2024-09-24浏览次数：21
- 1. Zhou H.X.#*, Shan Y.B*. Prediction of protein interaction sites from sequence profile and residue neighbor list. Proteins: Structure, Function, and Genetics . August 2001.
- 2. Shan Y.B.#*, Klepeis J.L., Eastwood M.P., Dror R.O., Shaw D.E. Gaussian split Ewald: A fast Ewald mesh method for molecular simulation. J. Chem. Phys.. February 2005.
- 3. Shan Y.B.*, Seeliger M.A., Eastwood, M.P., Frank F., Xu H.F., Jensen M.Ø, Dror R.O., Kuriyan J., Shaw D.E#. A conserved protonation-dependent switch controls drug binding in the Abl kinase. Proceedings of the National Academy of Sciences . Janurary 2009.
- 4. Shaw D.E.#*, Maragakis P., Lindorff-Larsen K., Piana S., Dror R.O., Eastwood M.P., … Shan Y.B., Wriggers W. Atomic-Level Characterization of the Structural Dynamics of Proteins. Science. October 2010.
- 5. Shan Y.B.*, Kim E., Eastwood M.P., Seeliger M.A., Shaw D.E#. How does a drug molecule find it target binding site. Journal of the American Chemical Society. May 2011.
- 6. Dror R.O.*, Pan A.C.*, Arlow D.H.,* Borhani D.W., Maragakis P., Shan Y.B., Xu H., Shaw D.E#. Pathway and mechanism of drug binding to G protein–coupled receptors. Proceedings of the National Academy of Sciences . August 2011.
- 7. Shan Y.B.#*, Eastwood M.P., Kim E., Zhang X.W., Jumper J., Kuriyan J., Shaw D.E#. Oncogenic Mutations Counteract Intrinsic Disorder in the EGFR Kinase and Promote Receptor Dimerization. Cell. May 2012.
- 8. Arkhipov A.*, Shan Y.B.#, Das R., Endres N.F., Eastwood M.P., Wemmer D.E., Kuriyan J., Shaw D.E. Architecture and membrane interactions of the EGF receptor. Cell . Janurary 2013.
- 9. Shan Y.B.#*, Arkhipov A., Kim E.T., Pan A.C., Shaw D.E#. Transitions to catalytically inactive conformations in EGFR kinase. Proceedings of the National Academy of Sciences. April 2013.
- 10. Arkhipov A.*, Shan Y.B.#, Eric T. Kim, Ron Dror, Shaw D.E#. Her2 activation mechanism reflects evolutionary preservation of asymmetric ectodomain dimers in the human EGFR family. eLIFE. July 2013.
- 11. Arkhipov A.*, Shan Y.B.#, Kim E.T., Shaw D.E#. Membrane Interaction of Bound Ligands Contributes to the Negative Binding Cooperativity of the EGF Receptor.PLOS Computational Biology. July 2014.
- 12. Shan Y.B.#*, Gnanasambandan K., Ungureanu D., Kim E.T., Hammarén H., Yamashita K., Silvennoinen O., Shaw D.E.#, Hubbard S.R#. Molecular basis for pseudokinase-dependent autoinhibition of JAK2 tyrosine kinase. Nature Structural & Molecular Biology. June 2014.
- 13. Foda Z.H.*, Shan Y.B.#*, Kim E.T., Shaw D.E.#, Seeliger M.A#. A dynamically coupled allosteric network underlies binding cooperativity in Src kinase. Nature Communication. January 2015.
- 14. Needham, S. R.*, Roberts, S. K., Arkhipov, A., Mysore, V. P., Tynan, C. J., … Shan, Y. B.#, Martin-Fernandez, M. L#. EGFR oligomerization organizes kinase-active dimers into competent signalling platforms. Nature Communications. November 2015.
- 15. Yan, X.E.*, Ayaz, P.*, Zhu, S. J., Zhao, P., Liang, L., Zhang, C. H., Shan, Y. B.#, Yun, C. H#.. Structural basis of AZD9291 selectivity for EGFR T790M. Journal of Medicinal Chemistry. July 2020.
- 16. Mysore, V.P.*, Zhou, Z.W.*, Ambrogio, C.*, Li, L., Kapp, J.N., Lu, C., Shan Y.B.#, Shaw, D.E#. A structural model of a Ras–Raf signalosome. Nature Structural & Molecular Biology. October 2021.
- 17. Liu, Y.*, Ke, P., Kuo, Y. C., Wang, Y., Zhang, X., Song, C., Shan, Y. B#. A putative structural mechanism underlying the antithetic effect of homologous RND1 and RhoD GTPases in mammalian plexin regulation. Elife. June 2021.
- 18. Shan, Y. B.#*#*, Mysore, V. P., Leffler, A. E., Kim, E. T., Sagawa, S., Shaw, D. E#. How does a small molecule bind at a cryptic binding site. PLoS Computational Biology. March 2022.
- 19. Mingione, V.R.*, Foda Z.H, Paung Y.T., Philipose H., Rangwala A.M., Shan, Y.B.# Markus, M.A#. Validation of an allosteric binding site of Src kinase identified by unbiased ligand binding simulations. Journal of Molecular Biology. September 2022.
- 20. Ayaz, P.*, Lyczek, A., Paung, Y.T. , Mingione, V.R., Iacob, I.E., Engen. J.R., Seeliger, M.A., Shan, Y.B.#, Shaw D.E#. Structural mechanism of a drug-binding process involving a large conformational change of the protein target. Nature Communication. April 2023.
