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3R4N

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/mmCIF3r4n.cif.gz Display(106.44 KB)
3r4n.cif
PDBx/mmJSONall3r4n.json.gz Display (Tree)(70.10 KB)
3r4n.json
no-atom3r4n-noatom.json.gz Display (Header)(13.30 KB)
3r4n-noatom.json
add only3r4n-plus.json.gz Display(1.23 KB)
3r4n-plus.json
PDBMLall3r4n.xml.gz Display(143.89 KB)
3r4n.xml
no-atom3r4n-noatom.xml.gz Display(29.02 KB)
3r4n-noatom.xml
ext-atom3r4n-extatom.xml.gz Display(86.06 KB)
3r4n-extatom.xml
PDBpdb3r4n.ent.gz Display(81.63 KB)
pdb3r4n.ent
RDF3r4n.rdf.gz Visualize(81.84 KB)
3r4n.rdf
Structure factorsr3r4nsf.ent.gz Display(1.19 MB)
r3r4nsf.ent
Biological unit (mmCIF format)3r4n-assembly1.cif.gz Display(52.45 KB)
3r4n-assembly1.cif (A)

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

3r4n-assembly2.cif.gz Display(50.71 KB)
3r4n-assembly2.cif (B)

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

3r4n-assembly3.cif.gz Display(98.18 KB)
3r4n-assembly3.cif (A,B)

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

Biological unit (PDB format)3r4n.pdb1.gz Display(40.54 KB)
3r4n.pdb1 (A)

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

3r4n.pdb2.gz Display(39.36 KB)
3r4n.pdb2 (B)

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

3r4n.pdb3.gz Display(77.28 KB)
3r4n.pdb3 (A,B)

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

Validation reportsPDF3r4n_validation.pdf.gz Display(1.07 MB)
3r4n_validation.pdf
PDF-full3r4n_full_validation.pdf.gz Display(1.07 MB)
3r4n_full_validation.pdf
mmCIF3r4n_validation.cif.gz Display(29.87 KB)
3r4n_validation.cif
XML3r4n_validation.xml.gz Display(21.09 KB)
3r4n_validation.xml
PNG3r4n_multipercentile_validation.png.gz Display(163.10 KB)
3r4n_multipercentile_validation.png
SVG3r4n_multipercentile_validation.svg.gz Display(974.00 B)
3r4n_multipercentile_validation.svg
EDMap2fo-fc (PDBx/mmCIF)3r4n_validation_2fo-fc_map_coef.cif.gz Display(291.27 KB)
3r4n_validation_2fo-fc_map_coef.cif
fo-fc (PDBx/mmCIF)3r4n_validation_fo-fc_map_coef.cif.gz Display(282.35 KB)
3r4n_validation_fo-fc_map_coef.cif
2fo-fc (MTZ)3r4n_validation_2fo-fc_map_coef.mtz Visualize(708.83 KB)
fo-fc (MTZ)3r4n_validation_fo-fc_map_coef.mtz Visualize(708.83 KB)

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PDB entries from 2024-07-24

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