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Structure paper

TitleNanoscale Direct-to-Biology Optimization of Cdk2 Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 69, Page 9142-9162, Year 2026
Publish dateApr 22, 2025 (structure data deposition date)
AuthorsDouthwaite, J.L. / Houde, D.J. / Pardo, E. / Moran, M. / Baird, J. / Meyer, S.R. / Mahjour, B. / Zhao, Q. / Larrow, J.F. / Juang, Y.P. ...Douthwaite, J.L. / Houde, D.J. / Pardo, E. / Moran, M. / Baird, J. / Meyer, S.R. / Mahjour, B. / Zhao, Q. / Larrow, J.F. / Juang, Y.P. / Holliday, M.J. / Han, C. / Kelley, B. / Dunstan, D. / Billings, K. / Mader, M.M. / Taylor, A.M. / Sexton, J.Z. / Boezio, A.A. / Cernak, T.
External linksJ. Med. Chem. / PubMed:41954971
MethodsX-ray diffraction
Resolution1.95 - 2.12 Å
Structure data

PDB-9ob2:
CDK2/CyclinE bound to compound 11 with P-loop in the EE and CC conformations
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

PDB-9ob3:
CDK2/CyclinE bound to compound 16 with P-loop in the EE conformation
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-9ob4:
CDK2/CyclinE bound to compound 19 with P-loop in the EE and EC conformations
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-9ob5:
CDK2/CyclinE bound to compound 20 with P-loop in the EE and CC conformations
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-9ob6:
CDK2/CyclinE bound to compound 21 with P-loop in the EE and CC conformations
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals


PDB Unreleased entry

PDB-1cae: Unknown entry

ChemComp-HOH:
WATER

PDB-1cah:
STRUCTURE OF COBALT CARBONIC ANHYDRASE COMPLEXED WITH BICARBONATE


PDB Unreleased entry

PDB-1caf: Unknown entry

PDB-1cag:
CRYSTAL AND MOLECULAR STRUCTURE OF A COLLAGEN-LIKE PEPTIDE AT 1.9 ANGSTROM RESOLUTION

PDB-1cai:
STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II

Source
  • homo sapiens (human)
KeywordsCELL CYCLE / CDK/Cyclin

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