2025-11-22_00000105
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ligand
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9KNB
NSD2-PWWP1 domain bound with compound 9;
X-ray diffraction 1.84Å
Protein #1
133 residues (94% resolved)
Raw Sequence ...
LLKYNVGDLVWSKVSGYPWWPCMVSADPLLHSYTKLKGQKKSARQYHVQFFGDAPERAWIFEKSLVAFEGEGQFEKLCQESAKQAPTKAEKIKLLKPISGKLRAQWEMGIVQAEEAASMSVEERKAKFTFLYV
Canonical Sequence ...
LLKYNVGDLVWSKVSGYPWWPCMVSADPLLHSYTKLKGQKKSARQYHVQFFGDAPERAWIFEKSLVAFEGEGQFEKLCQESAKQAPTKAEKIKLLKPISGKLRAQWEMGIVQAEEAASMSVEERKAKFTFLYV
Non polymer #2
A1EF7
InChI=1S/C14H13NO2Se/c1-17-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)18/h2-9,18H,1H3,(H,15,16)
InChI=1S/C14H13NO2Se/c1-17-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)18/h2-9,18H,1H3,(H,15,16)
SMILES: COc1ccccc1NC(=O)c2ccccc2[SeH]
COc1ccccc1NC(=O)c2ccccc2[SeH]
Non polymer #3
EPE
InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
SMILES: C1CN(CCN1CCO)CCS(=O)(=O)O
C1CN(CCN1CCO)CCS(=O)(=O)O
Biounit #1
monomer
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Model
Reference
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