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Structure paper

TitleDesign, Synthesis, and Biological Implications of Autotaxin inhibitors with a Three-Point lock binding mode.
Journal, issue, pagesBioorg. Med. Chem., Vol. 124, Page 118181-118181, Year 2025
Publish dateJun 25, 2024 (structure data deposition date)
AuthorsDesroy, N. / Borza, R. / Heiermann, J. / Triballeau, N. / Joncour, A. / Bienvenu, N. / Hengeveld, W.J. / Springer, J. / Galien, R. / Joosten, R.P. ...Desroy, N. / Borza, R. / Heiermann, J. / Triballeau, N. / Joncour, A. / Bienvenu, N. / Hengeveld, W.J. / Springer, J. / Galien, R. / Joosten, R.P. / Perrakis, A. / Heckmann, B.
External linksBioorg. Med. Chem. / PubMed:40233422
MethodsX-ray diffraction
Resolution1.95 - 2.9 Å
Structure data

PDB-9ftn:
Crystal Structure of Autotaxin (ENPP2) with Type VI Inhibitor, a Novel Class of Inhibitors with Three-Point Lock Binding Mode
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-9fxu:
Crystal Structure of Autotaxin (ENPP2) with Type VI Inhibitor, a Novel Class of Inhibitors with Three-Point Lock Binding Mode
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-9fxw:
Crystal Structure of Autotaxin (ENPP2) with Type VI Inhibitor, a Novel Class of Inhibitors with Three-Point Lock Binding Mode
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-9fxy:
Crystal Structure of Autotaxin (ENPP2) with Type IV Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-IOD:
IODIDE ION

PDB-1ig5:
BOVINE CALBINDIN D9K BINDING MG2+

ChemComp-SCN:
THIOCYANATE ION

ChemComp-HOH:
WATER

PDB-1igz:
Crystal Structure of Linoleic acid Bound in the Cyclooxygenase Channel of Prostaglandin Endoperoxide H Synthase-1.

ChemComp-GOL:
GLYCEROL

PDB-1ig0:
Crystal Structure of yeast Thiamin Pyrophosphokinase

PDB-1ig1:
1.8A X-Ray structure of ternary complex of a catalytic domain of death-associated protein kinase with ATP analogue and Mn.

ChemComp-PO4:
PHOSPHATE ION

Source
  • rattus norvegicus (Norway rat)
KeywordsHYDROLASE / Type VI / Inhibitor / Complex / Ectonucleotide Pyrophosphatase/Phosphodiesterase 2 / lysophospholipase D (lysoPLD) / lysophosphatidic acid (LPA)

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