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TitleStructure-based drug design of a highly potent CDK1,2,4,6 inhibitor with novel macrocyclic quinoxalin-2-one structure
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 5122-5126, Year 2006
Publish dateJun 17, 2006 (structure data deposition date)
AuthorsKawanishi, N. / Sugimoto, T. / Shibata, J. / Nakamura, K. / Masutani, K. / Ikuta, M. / Hirai, H.
External linksBioorg. Med. Chem. Lett. / PubMed:16876403
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-2ds1:
Human cyclin dependent kinase 2 complexed with the CDK4 inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-1CD:
(13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / protein kinase / cell cycle / inhibition

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