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TitleAn allosteric cyclin E-CDK2 site mapped by paralog hopping with covalent probes.
Journal, issue, pagesNat. Chem. Biol., Vol. 21, Page 420-431, Year 2025
Publish dateJan 17, 2024 (structure data deposition date)
AuthorsZhang, Y. / Liu, Z. / Hirschi, M. / Brodsky, O. / Johnson, E. / Won, S.J. / Nagata, A. / Bezwada, D. / Petroski, M.D. / Majmudar, J.D. ...Zhang, Y. / Liu, Z. / Hirschi, M. / Brodsky, O. / Johnson, E. / Won, S.J. / Nagata, A. / Bezwada, D. / Petroski, M.D. / Majmudar, J.D. / Niessen, S. / VanArsdale, T. / Gilbert, A.M. / Hayward, M.M. / Stewart, A.E. / Nager, A.R. / Melillo, B. / Cravatt, B.F.
External linksNat. Chem. Biol. / PubMed:39294320
MethodsX-ray diffraction
Resolution1.84 - 1.9 Å
Structure data

PDB-8vq3:
CDK2-CyclinE1 in complex with allosteric inhibitor I-198.
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-8vq4:
CDK2-CyclinE1 in complex with allosteric inhibitor I-125A.
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

PDB-1ac4:
VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (2,3,4-TRIMETHYL-1,3-THIAZOLE)

ChemComp-HOH:
WATER

PDB-1ac5:
CRYSTAL STRUCTURE OF KEX1(DELTA)P, A PROHORMONE-PROCESSING CARBOXYPEPTIDASE FROM SACCHAROMYCES CEREVISIAE

Source
  • homo sapiens (human)
KeywordsCELL CYCLE/TRANSFERASE/INHIBITOR / kinase / CELL CYCLE-TRANSFERASE-INHIBITOR complex

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