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Structure paper

TitleIndoloxytriazines as binding molecules for the JAK2 JH2 pseudokinase domain and its V617F variant
Journal, issue, pagesTetrahedron Lett., Vol. 77, Page 153248-, Year 2021
Publish dateAug 31, 2020 (structure data deposition date)
AuthorsNewton, A.S. / Liosi, M.E. / Henry, S.P. / Deiana, L. / Faver, J.C. / Krimmer, S.G. / Puleo, D.E. / Schlessinger, J. / Jorgensen, W.L.
External linksTetrahedron Lett. / Search PubMed
MethodsX-ray diffraction
Resolution1.85941610301 - 2.16127225177 Å
Structure data

PDB-7jyo:
JAK2 JH2 in complex with JAK064
Method: X-RAY DIFFRACTION / Resolution: 2.16127225177 Å

PDB-7jyq:
JAK2 JH2 in complex with JAK020
Method: X-RAY DIFFRACTION / Resolution: 1.85941610301 Å

Chemicals

ChemComp-VPS:
3-({4-amino-6-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}oxy)benzoic acid

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-VPJ:
N~2~-(4-fluorophenyl)-6-{[(5-{[(oxolan-2-yl)methyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / PSEUDOKINASE DOMAIN / INHIBITOR / COMPLEX / TRANSFERASE / TRANSFERASE-INHIBITOR COMPLEX

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