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Structure paper

TitleValidation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Journal, issue, pagesBlood Cancer J, Vol. 12, Page 64-64, Year 2022
Publish dateJul 29, 2021 (structure data deposition date)
AuthorsCanovas Nunes, S. / De Vita, S. / Anighoro, A. / Autelitano, F. / Beaumont, E. / Klingbeil, P. / McGuinness, M. / Duvert, B. / Harris, C. / Yang, L. ...Canovas Nunes, S. / De Vita, S. / Anighoro, A. / Autelitano, F. / Beaumont, E. / Klingbeil, P. / McGuinness, M. / Duvert, B. / Harris, C. / Yang, L. / Pokharel, S.P. / Chen, C.W. / Ermann, M. / Williams, D.A. / Xu, H.
External linksBlood Cancer J / PubMed:35422065
MethodsX-ray diffraction
Resolution1.49 - 2.05 Å
Structure data

PDB-7pac:
The crystal structure of PDE6D in the apo state
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-7pad:
The crystal structure of DW-0254 in complex with PDE6D
Method: X-RAY DIFFRACTION / Resolution: 1.49 Å

PDB-7pae:
The crystal structure of Deltarasin in complex with PDE6D
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-NI:
NICKEL (II) ION

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

ChemComp-O7W:
~{N}-[(4-ethylphenyl)methyl]-3-[5-[2-(1~{H}-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-~{N}-methyl-propanamide

ChemComp-O7T:
deltarasin

ChemComp-ACY:
ACETIC ACID

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / inhibitor / complex

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