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7G3I

Crystal Structure of rat Autotaxin in complex with (6-methylsulfonyl-1,6-diazaspiro[3.3]heptan-1-yl)-[2-[[3-propan-2-yl-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone, i.e. SMILES CC(C)c1cc(cc(c1)OC(F)(F)F)CNc1ncc(cn1)C(=O)N1CCC21CN(C2)S(=O)(=O)C with IC50=0.018213 microM

Resources
File formatFile name (file size)
PDBx/mmCIF7g3i.cif.gz Display(199.74 KB)
7g3i.cif
PDBx/mmJSONall7g3i.json.gz Display (Tree)(135.03 KB)
7g3i.json
no-atom7g3i-noatom.json.gz Display (Header)(27.79 KB)
7g3i-noatom.json
add only7g3i-plus.json.gz Display(1.94 KB)
7g3i-plus.json
PDBMLall7g3i.xml.gz Display(267.08 KB)
7g3i.xml
no-atom7g3i-noatom.xml.gz Display(52.81 KB)
7g3i-noatom.xml
ext-atom7g3i-extatom.xml.gz Display(162.17 KB)
7g3i-extatom.xml
pdb_nextgenallpdb_00007g3i_xyz-enrich.cif.gz Display(218.86 KB)
pdb_00007g3i_xyz-enrich.cif
no-atompdb_00007g3i_xyz-no-atom-enrich.xml.gz Display(62.93 KB)
pdb_00007g3i_xyz-no-atom-enrich.xml
ng-only7g3i-plus.json.gz Display(4.71 KB)
7g3i-plus.json
PDBpdb7g3i.ent.gz Display(152.38 KB)
pdb7g3i.ent
RDF7g3i.rdf.gz Visualize(147.73 KB)
7g3i.rdf
Structure factorsr7g3isf.ent.gz Display(10.49 MB)
r7g3isf.ent
Biological unit (mmCIF format)7g3i-assembly1.cif.gz Display(185.63 KB)
7g3i-assembly1.cif (A)

*author and software defined assembly, 1 molecule(s) (monomeric)

Biological unit (PDB format)7g3i.pdb1.gz Display(145.36 KB)
7g3i.pdb1 (A)

*author and software defined assembly, 1 molecule(s) (monomeric)

Validation reportsPDF7g3i_validation.pdf.gz Display(1.08 MB)
7g3i_validation.pdf
PDF-full7g3i_full_validation.pdf.gz Display(1.09 MB)
7g3i_full_validation.pdf
mmCIF7g3i_validation.cif.gz Display(56.44 KB)
7g3i_validation.cif
XML7g3i_validation.xml.gz Display(39.61 KB)
7g3i_validation.xml
PNG7g3i_multipercentile_validation.png.gz Display(168.84 KB)
7g3i_multipercentile_validation.png
SVG7g3i_multipercentile_validation.svg.gz Display(975.00 B)
7g3i_multipercentile_validation.svg
EDMap2fo-fc (PDBx/mmCIF)7g3i_validation_2fo-fc_map_coef.cif.gz Display(1.03 MB)
7g3i_validation_2fo-fc_map_coef.cif
fo-fc (PDBx/mmCIF)7g3i_validation_fo-fc_map_coef.cif.gz Display(1.03 MB)
7g3i_validation_fo-fc_map_coef.cif
2fo-fc (MTZ)7g3i_validation_2fo-fc_map_coef.mtz Visualize(1.82 MB)
fo-fc (MTZ)7g3i_validation_fo-fc_map_coef.mtz Visualize(1.82 MB)

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PDB entries from 2026-01-28

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