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3R4P

Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide

Resources
File formatFile name (file size)
PDBx/mmCIF3r4p.cif.gz Display(109.66 KB)
3r4p.cif
PDBx/mmJSONall3r4p.json.gz Display (Tree)(73.12 KB)
3r4p.json
no-atom3r4p-noatom.json.gz Display (Header)(14.08 KB)
3r4p-noatom.json
add only3r4p-plus.json.gz Display(1.33 KB)
3r4p-plus.json
PDBMLall3r4p.xml.gz Display(148.97 KB)
3r4p.xml
no-atom3r4p-noatom.xml.gz Display(30.98 KB)
3r4p-noatom.xml
ext-atom3r4p-extatom.xml.gz Display(88.62 KB)
3r4p-extatom.xml
PDBpdb3r4p.ent.gz Display(84.61 KB)
pdb3r4p.ent
RDF3r4p.rdf.gz Visualize(86.77 KB)
3r4p.rdf
Structure factorsr3r4psf.ent.gz Display(1.42 MB)
r3r4psf.ent
Biological unit (mmCIF format)3r4p-assembly1.cif.gz Display(53.32 KB)
3r4p-assembly1.cif (A)

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

3r4p-assembly2.cif.gz Display(51.95 KB)
3r4p-assembly2.cif (B)

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

3r4p-assembly3.cif.gz Display(100.36 KB)
3r4p-assembly3.cif (A,B)

*software defined assembly, 2 molecule(s) (dimeric)

Biological unit (PDB format)3r4p.pdb1.gz Display(41.79 KB)
3r4p.pdb1 (A)

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

3r4p.pdb2.gz Display(40.91 KB)
3r4p.pdb2 (B)

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

3r4p.pdb3.gz Display(79.69 KB)
3r4p.pdb3 (A,B)

*software defined assembly, 2 molecule(s) (dimeric)

Validation reportsPDF3r4p_validation.pdf.gz Display(1.08 MB)
3r4p_validation.pdf
PDF-full3r4p_full_validation.pdf.gz Display(1.08 MB)
3r4p_full_validation.pdf
mmCIF3r4p_validation.cif.gz Display(31.98 KB)
3r4p_validation.cif
XML3r4p_validation.xml.gz Display(22.06 KB)
3r4p_validation.xml
PNG3r4p_multipercentile_validation.png.gz Display(167.25 KB)
3r4p_multipercentile_validation.png
SVG3r4p_multipercentile_validation.svg.gz Display(976.00 B)
3r4p_multipercentile_validation.svg
EDMap2fo-fc (PDBx/mmCIF)3r4p_validation_2fo-fc_map_coef.cif.gz Display(474.49 KB)
3r4p_validation_2fo-fc_map_coef.cif
fo-fc (PDBx/mmCIF)3r4p_validation_fo-fc_map_coef.cif.gz Display(456.51 KB)
3r4p_validation_fo-fc_map_coef.cif
2fo-fc (MTZ)3r4p_validation_2fo-fc_map_coef.mtz Visualize(1.12 MB)
fo-fc (MTZ)3r4p_validation_fo-fc_map_coef.mtz Visualize(1.12 MB)

219140

PDB entries from 2024-05-01

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