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TitleStructural Basis of Activin Receptor-Like Kinase 2 (R206H) Inhibition by Bis-heteroaryl Pyrazole-Based Inhibitors for the Treatment of Fibrodysplasia Ossificans Progressiva Identified by the Integration of Ligand-Based and Structure-Based Drug Design Approaches.
Journal, issue, pagesAcs Omega, Vol. 5, Page 11411-11423, Year 2020
Publish dateApr 15, 2019 (structure data deposition date)
AuthorsSato, T. / Sekimata, K. / Sakai, N. / Watanabe, H. / Mishima-Tsumagari, C. / Taguri, T. / Matsumoto, T. / Fujii, Y. / Handa, N. / Tanaka, A. ...Sato, T. / Sekimata, K. / Sakai, N. / Watanabe, H. / Mishima-Tsumagari, C. / Taguri, T. / Matsumoto, T. / Fujii, Y. / Handa, N. / Tanaka, A. / Shirouzu, M. / Yokoyama, S. / Hashizume, Y. / Miyazono, K. / Koyama, H. / Honma, T.
External linksAcs Omega / PubMed:32478230
MethodsX-ray diffraction
Resolution1.75 Å
Structure data

PDB-6jux:
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-71807
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-C9U:
4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN/INHIBITOR / Kinase / SIGNALING PROTEIN-INHIBITOR complex

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