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3R4O

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/mmCIF3r4o.cif.gz Display(97.00 KB)
3r4o.cif
PDBx/mmJSONall3r4o.json.gz Display (Tree)(64.25 KB)
3r4o.json
no-atom3r4o-noatom.json.gz Display (Header)(12.90 KB)
3r4o-noatom.json
add only3r4o-plus.json.gz Display(1.31 KB)
3r4o-plus.json
PDBMLall3r4o.xml.gz Display(129.71 KB)
3r4o.xml
no-atom3r4o-noatom.xml.gz Display(27.70 KB)
3r4o-noatom.xml
ext-atom3r4o-extatom.xml.gz Display(77.31 KB)
3r4o-extatom.xml
PDBpdb3r4o.ent.gz Display(74.50 KB)
pdb3r4o.ent
RDF3r4o.rdf.gz Visualize(80.40 KB)
3r4o.rdf
Structure factorsr3r4osf.ent.gz Display(251.51 KB)
r3r4osf.ent
Biological unit (mmCIF format)3r4o-assembly1.cif.gz Display(46.15 KB)
3r4o-assembly1.cif (A)

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

3r4o-assembly2.cif.gz Display(45.71 KB)
3r4o-assembly2.cif (B)

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

3r4o-assembly3.cif.gz Display(87.19 KB)
3r4o-assembly3.cif (A,B)

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

Biological unit (PDB format)3r4o.pdb1.gz Display(36.34 KB)
3r4o.pdb1 (A)

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

3r4o.pdb2.gz Display(35.90 KB)
3r4o.pdb2 (B)

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

3r4o.pdb3.gz Display(69.39 KB)
3r4o.pdb3 (A,B)

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

Validation reportsPDF3r4o_validation.pdf.gz Display(1.04 MB)
3r4o_validation.pdf
PDF-full3r4o_full_validation.pdf.gz Display(1.05 MB)
3r4o_full_validation.pdf
mmCIF3r4o_validation.cif.gz Display(24.04 KB)
3r4o_validation.cif
XML3r4o_validation.xml.gz Display(18.11 KB)
3r4o_validation.xml
PNG3r4o_multipercentile_validation.png.gz Display(167.55 KB)
3r4o_multipercentile_validation.png
SVG3r4o_multipercentile_validation.svg.gz Display(977.00 B)
3r4o_multipercentile_validation.svg
EDMap2fo-fc (PDBx/mmCIF)3r4o_validation_2fo-fc_map_coef.cif.gz Display(132.02 KB)
3r4o_validation_2fo-fc_map_coef.cif
fo-fc (PDBx/mmCIF)3r4o_validation_fo-fc_map_coef.cif.gz Display(119.92 KB)
3r4o_validation_fo-fc_map_coef.cif
2fo-fc (MTZ)3r4o_validation_2fo-fc_map_coef.mtz Visualize(321.62 KB)
fo-fc (MTZ)3r4o_validation_fo-fc_map_coef.mtz Visualize(321.62 KB)

218853

PDB entries from 2024-04-24

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