2026-05-30_00000230
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ligand
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9V88
Crystal structure of d(CGTTAACG)2 with a four-carbon linker containing quinoxaline-acridine asymmetric intercalator compound;
X-ray diffraction 1.92Å
DNA #1
8 bases
Raw Sequence ...
(DC)(DG)(DT)(DT)(DA)(DA)(DC)(DG)
Canonical Sequence ...
CGTTAACG
Non polymer #2
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Non polymer #3
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #4
XAU
InChI=1S/C26H23N5O/c32-26(24-17-29-22-13-5-6-14-23(22)31-24)28-16-8-7-15-27-25-18-9-1-3-11-20(18)30-21-12-4-2-10-19(21)25/h1-6,9-14,17H,7-8,15-16H2,(H,27,30)(H,28,32)
InChI=1S/C26H23N5O/c32-26(24-17-29-22-13-5-6-14-23(22)31-24)28-16-8-7-15-27-25-18-9-1-3-11-20(18)30-21-12-4-2-10-19(21)25/h1-6,9-14,17H,7-8,15-16H2,(H,27,30)(H,28,32)
SMILES: c1ccc2c(c1)c(c3ccccc3n2)NCCCCNC(=O)c4cnc5ccccc5n4
c1ccc2c(c1)c(c3ccccc3n2)NCCCCNC(=O)c4cnc5ccccc5n4
Biounit #1
homo-dimer
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Model
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