2025-10-18_00000332
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ligand
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9OGW
Identification of ligands for E3 ligases using fragment-based methods;
X-ray diffraction 1.80Å
Protein #1
318 residues (98% resolved)
Raw Sequence ...
VAPWGRQWEEARALGRAVRMLQRLEEQCVDPRLSVSPPSLRDLLPRTAQLLREVAHSRRAAGGGGPGGPGGSGDFLLIYLANLEAKSRQVAALLPPRGRRSANDELFRAGSRLRRQLAKLAIIFSHMHAELHALFPGGKYCGHMYQLTKAPAHTFWRESCGARCVLPWAEFESLLGTCHPVEPGCTALALRTTIDLTCSGHVSIFEFDVFTRLFQPWPTLLKNWQLLAVNHPGYMAFLTYDEVQERLQACRDKPGSYIFRPSCTRLGQWAIGYVSSDGSILQTIPANKPLSQVLLEGQKDGFYLYPDGKTHNPDLTEL
Canonical Sequence ...
VAPWGRQWEEARALGRAVRMLQRLEEQCVDPRLSVSPPSLRDLLPRTAQLLREVAHSRRAAGGGGPGGPGGSGDFLLIYLANLEAKSRQVAALLPPRGRRSANDELFRAGSRLRRQLAKLAIIFSHMHAELHALFPGGKYCGHMYQLTKAPAHTFWRESCGARCVLPWAEFESLLGTCHPVEPGCTALALRTTIDLTCSGHVSIFEFDVFTRLFQPWPTLLKNWQLLAVNHPGYMAFLTYDEVQERLQACRDKPGSYIFRPSCTRLGQWAIGYVSSDGSILQTIPANKPLSQVLLEGQKDGFYLYPDGKTHNPDLTEL
Non polymer #2
A1CA8
InChI=1S/C12H11NO2S/c14-12(15)10-3-1-2-4-11(10)13-7-9-5-6-16-8-9/h1-6,8,13H,7H2,(H,14,15)
InChI=1S/C12H11NO2S/c14-12(15)10-3-1-2-4-11(10)13-7-9-5-6-16-8-9/h1-6,8,13H,7H2,(H,14,15)
SMILES: c1ccc(c(c1)C(=O)O)NCc2ccsc2
c1ccc(c(c1)C(=O)O)NCc2ccsc2
Biounit #1
monomer
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Model
Reference
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