PDB Entry - 7G4J (pdb_00007g4j)

(Status - Released)

Summary information:

Title: Crystal Structure of rat Autotaxin in complex with 4-[rac-(E)-3-oxo-3-[rac-(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl]prop-1-enyl]benzonitrile, i.e. SMILES C1C[C@@H]2[C@H](CCN1C(=O)/C=C/c1ccc(cc1)C#N)CN(C2)C(=O)c1ccc2c(c1)N=NN2 with IC50=0.193037 microM

PDB DOI: https://doi.org/10.2210/pdb7g4j/pdb

Entry authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.

Initial deposition on: 5 June 2023

Initial release on: 18 December 2024

Latest revision on: 18 December 2024

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Structure coordinates (PDBx/mmCIF)

Structure coordinates (PDB)

Structure coordinates (PDBML)

X-ray diffraction data (PDBx/mmCIF)

Validation report (XML)

Validation report (PDF)

Validation report (mmCIF)

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