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TitleTargeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 4978-4996, Year 2020
Publish dateOct 18, 2019 (structure data deposition date)
AuthorsEnsan, D. / Smil, D. / Zepeda-Velazquez, C.A. / Panagopoulos, D. / Wong, J.F. / Williams, E.P. / Adamson, R. / Bullock, A.N. / Kiyota, T. / Aman, A. ...Ensan, D. / Smil, D. / Zepeda-Velazquez, C.A. / Panagopoulos, D. / Wong, J.F. / Williams, E.P. / Adamson, R. / Bullock, A.N. / Kiyota, T. / Aman, A. / Roberts, O.G. / Edwards, A.M. / O'Meara, J.A. / Isaac, M.B. / Al-Awar, R.
External linksJ. Med. Chem. / PubMed:32369358
MethodsX-ray diffraction
Resolution2.09 - 2.56 Å
Structure data

PDB-6t6d:
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2149
Method: X-RAY DIFFRACTION / Resolution: 2.56 Å

PDB-8r7g:
Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

Chemicals

ChemComp-MM8:
2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER


ChemComp, No image

ChemComp-YEE:
Unknown entry

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / KINASE / BMP / INHIBITOR / SIGNALLING / ALK2 / ACVR1 / M4K2234

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