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Structure paper

TitleDiscovery of potent and selective CDK8 inhibitors through FBDD approach
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 27, Page 4488-4492, Year 2017
Publish dateJun 7, 2017 (structure data deposition date)
AuthorsHan, X. / Jiang, M. / Zhou, C. / Zhou, Z. / Xu, Z. / Wang, L. / Mayweg, A.V. / Niu, R. / Jin, T.G. / Yang, S.
External linksBioorg. Med. Chem. Lett. / PubMed:28802632
MethodsX-ray diffraction
Resolution2.04 - 2.3 Å
Structure data

PDB-5xqx:
Human CDK8-CYCC in complex with compound 4: N-methyl-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-5xs2:
CDK8-CYCC IN COMPLEX WITH COMPOUND 17:3-chloro-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-8CC:
N-methyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide

ChemComp-HOH:
WATER

ChemComp-8D6:
3-chloranyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / CDK8 / CYCLIN C / MEDIATOR COMPLEX

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