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TitleSmall Molecules Co-targeting CKI alpha and the Transcriptional Kinases CDK7/9 Control AML in Preclinical Models.
Journal, issue, pagesCell, Vol. 175, Page 171-185.e25, Year 2018
Publish dateJul 3, 2018 (structure data deposition date)
AuthorsMinzel, W. / Venkatachalam, A. / Fink, A. / Hung, E. / Brachya, G. / Burstain, I. / Shaham, M. / Rivlin, A. / Omer, I. / Zinger, A. ...Minzel, W. / Venkatachalam, A. / Fink, A. / Hung, E. / Brachya, G. / Burstain, I. / Shaham, M. / Rivlin, A. / Omer, I. / Zinger, A. / Elias, S. / Winter, E. / Erdman, P.E. / Sullivan, R.W. / Fung, L. / Mercurio, F. / Li, D. / Vacca, J. / Kaushansky, N. / Shlush, L. / Oren, M. / Levine, R. / Pikarsky, E. / Snir-Alkalay, I. / Ben-Neriah, Y.
External linksCell / PubMed:30146162
MethodsX-ray diffraction
Resolution1.59 - 3.17 Å
Structure data

PDB-6gzd:
Crystal structure of Human CSNK1A1 with A86
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

PDB-6gzh:
Crystal Structure of Human CDK9/cyclinT1 with A86
Method: X-RAY DIFFRACTION / Resolution: 3.17 Å

PDB-6gzm:
Crystal Structure of Human CKIdelta with A86
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

Chemicals

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-TCE:
3,3',3''-phosphanetriyltripropanoic acid

ChemComp-LCI:
[4-[[4-[5-(cyclopropylmethyl)-1-methyl-pyrazol-4-yl]-5-fluoranyl-pyrimidin-2-yl]amino]cyclohexyl]azanium

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

ChemComp-CIT:
CITRIC ACID

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / CKIa / Casein kinase / Kinase inhibitor / CDK9 / A86

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