2025-09-13_00000182
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ligand
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9R1P
Crystal structure of STUB1 complexed with a compound molecule;
X-ray diffraction 2.29Å
Protein #1
140 residues (88% resolved)
Raw Sequence ...
GGGGGSPEKSPSAQELKEQGNRLFVGRKYPEAAACYGRAITRNPLVAVYYTNRALCYLKMQQHEQALADCRRALELDGQSVKAHFFLGQCQLEMESYDEAIANLQRAYSLAKEQRLNFGDDIPSALRIAKKKRWNSIEER
Canonical Sequence ...
GGGGGSPEKSPSAQELKEQGNRLFVGRKYPEAAACYGRAITRNPLVAVYYTNRALCYLKMQQHEQALADCRRALELDGQSVKAHFFLGQCQLEMESYDEAIANLQRAYSLAKEQRLNFGDDIPSALRIAKKKRWNSIEER
Non polymer #2
A1JBJ
InChI=1S/C26H21F3N8S/c1-37-24-21(15-32-37)23(31-14-16-5-4-10-30-13-16)35-22(36-24)17-6-2-8-19(11-17)33-25(38)34-20-9-3-7-18(12-20)26(27,28)29/h2-13,15H,14H2,1H3,(H,31,35,36)(H2,33,34,38)
InChI=1S/C26H21F3N8S/c1-37-24-21(15-32-37)23(31-14-16-5-4-10-30-13-16)35-22(36-24)17-6-2-8-19(11-17)33-25(38)34-20-9-3-7-18(12-20)26(27,28)29/h2-13,15H,14H2,1H3,(H,31,35,36)(H2,33,34,38)
SMILES: Cn1c2c(cn1)c(nc(n2)c3cccc(c3)NC(=S)Nc4cccc(c4)C(F)(F)F)NCc5cccnc5
Cn1c2c(cn1)c(nc(n2)c3cccc(c3)NC(=S)Nc4cccc(c4)C(F)(F)F)NCc5cccnc5
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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