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| Title | Utilizing Molecular Dynamics and Mechanistic Pharmacokinetic Studies in the Design of Selective CDK2 Inhibitors. |
|---|---|
| Journal, issue, pages | J. Med. Chem., Year 2026 |
| Publish date | Feb 23, 2026 (structure data deposition date) |
 Authors | Verma, V.A. / Grandner, J.M. / Parr, B.T. / Zeng, M. / Ashley, M. / Wang, Y. / Beroza, P. / Carione, P. / Johnson, K.M. / Oh, A.J. ...Verma, V.A. / Grandner, J.M. / Parr, B.T. / Zeng, M. / Ashley, M. / Wang, Y. / Beroza, P. / Carione, P. / Johnson, K.M. / Oh, A.J. / Murray, J.M. / Kiefer, J.R. / Moffat, J.G. / Prangley, M. / Merrick, K. / Vartanian, S. / Hafner, M. / Orr, C.J. / Segal, E. / Levy, E.S. / Wang, J. / Xu, Z. / Wang, S. / Liu, G. / Niu, Y. / Li, X. / Zhang, Q. / Ma, Z. / Sun, M. / Wu, Z. / Zhao, W. / Li, Y. / Zhang, L. / Magnuson, S.R. / Samy, K.E. |
 External links | J. Med. Chem. / PubMed:42328801 |
| Methods | X-ray diffraction |
| Resolution | 2.4 Å |
| Structure data |  PDB-11gy: |
| Chemicals |  PDB-1deq:  PDB-1djl:  ChemComp-GOL:  ChemComp-SO4:  ChemComp-DMS:  ChemComp-EPE:  ChemComp-HOH: |
| Source |
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 Keywords | SIGNALING PROTEIN / kinase / cancer / oncology / inhibitor / selectivity |
homo sapiens (human)