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6H3K

Introduction of a methyl group curbs metabolism of pyrido[3,4-d]pyrimidine MPS1 inhibitors and enables the discovery of the Phase 1 clinical candidate BOS172722.

Resources
File formatFile name (file size)
PDBx/mmCIF6h3k.cif.gz Display(123.41 KB)
6h3k.cif
PDBx/mmJSONall6h3k.json.gz Display (Tree)(89.65 KB)
6h3k.json
no-atom6h3k-noatom.json.gz Display (Header)(16.17 KB)
6h3k-noatom.json
add only6h3k-plus.json.gz Display(906.00 B)
6h3k-plus.json
PDBMLall6h3k.xml.gz Display(164.98 KB)
6h3k.xml
no-atom6h3k-noatom.xml.gz Display(27.47 KB)
6h3k-noatom.xml
ext-atom6h3k-extatom.xml.gz Display(47.98 KB)
6h3k-extatom.xml
PDBpdb6h3k.ent.gz Display(94.44 KB)
pdb6h3k.ent
RDF6h3k.rdf.gz Visualize(80.58 KB)
6h3k.rdf
Structure factorsr6h3ksf.ent.gz Display(539.84 KB)
r6h3ksf.ent
Biological unit (mmCIF format)6h3k-assembly1.cif.gz Display(110.94 KB)
6h3k-assembly1.cif (A)

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

Biological unit (PDB format)6h3k.pdb1.gz Display(88.95 KB)
6h3k.pdb1 (A)

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

Validation reportsPDF6h3k_validation.pdf.gz Display(934.57 KB)
6h3k_validation.pdf
PDF-full6h3k_full_validation.pdf.gz Display(935.99 KB)
6h3k_full_validation.pdf
mmCIF6h3k_validation.cif.gz Display(15.75 KB)
6h3k_validation.cif
XML6h3k_validation.xml.gz Display(11.95 KB)
6h3k_validation.xml
PNG6h3k_multipercentile_validation.png.gz Display(171.81 KB)
6h3k_multipercentile_validation.png
SVG6h3k_multipercentile_validation.svg.gz Display(976.00 B)
6h3k_multipercentile_validation.svg
EDMap2fo-fc (PDBx/mmCIF)6h3k_validation_2fo-fc_map_coef.cif.gz Display(241.88 KB)
6h3k_validation_2fo-fc_map_coef.cif
fo-fc (PDBx/mmCIF)6h3k_validation_fo-fc_map_coef.cif.gz Display(241.72 KB)
6h3k_validation_fo-fc_map_coef.cif
2fo-fc (MTZ)6h3k_validation_2fo-fc_map_coef.mtz Visualize(380.59 KB)
fo-fc (MTZ)6h3k_validation_fo-fc_map_coef.mtz Visualize(380.59 KB)

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PDB entries from 2024-07-17

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