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TitleDiscovery of Atirmociclib (PF-07220060): A Potent and Selective CDK4 Inhibitor.
Journal, issue, pagesJ. Med. Chem., Year 2025
Publish dateJul 1, 2025 (structure data deposition date)
AuthorsGallego, G.M. / Palmer, C. / Orr, S. / Bernier, L. / Chen, P. / Cho-Schultz, S. / Deal, J.G. / Dress, K. / Edwards, M. / Jalaie, M. ...Gallego, G.M. / Palmer, C. / Orr, S. / Bernier, L. / Chen, P. / Cho-Schultz, S. / Deal, J.G. / Dress, K. / Edwards, M. / Jalaie, M. / Johnson, E. / Kania, R. / Kath, J.C. / Lafontaine, J. / Ninkovic, S. / Sach, N. / Shen, H. / Anders, L. / Boras, B. / Cao, F. / Cianfrogna, J.A. / Cox, L. / Marroquin, L. / Pascual, B. / Petroski, M. / Quinlan, C. / Sacaan, A. / Wei, N. / Nair, S.K.
External linksJ. Med. Chem. / PubMed:41347260
MethodsX-ray diffraction
Resolution1.8 - 2.11 Å
Structure data

PDB-9pe7:
CDK6 to CDK4 active site surrogate in complex with compound 6
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-9pe8:
CDK6 to CDK4 active site surrogate in complex with PF-07220060
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-9pe9:
GSK3beta in complex with compound 6
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

Chemicals

PDB-1cif:
STRUCTURAL AND FUNCTIONAL EFFECTS OF MULTIPLE MUTATIONS AT DISTAL SITES IN CYTOCHROME C

ChemComp-HOH:
WATER

PDB-1az4:
ECORV ENDONUCLEASE, UNLIGANDED, FORM B, T93A MUTANT

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / Kinase / cell cycle / cancer / TRANSFERASE / TRANSFERASE-INHIBITOR complex

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