2026-05-30_00000231
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ligand
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9V89
Crystal structure of d(CGTTAACG)2 with a five-carbon linker containing quinoxaline-acridine asymmetric intercalator compound;
X-ray diffraction 1.27Å
DNA #1
8 bases
Raw Sequence ...
(DC)(DG)(DT)(DT)(DA)(DA)(DC)(DG)
Canonical Sequence ...
CGTTAACG
Non polymer #2
CO
InChI=1S/Co/q+2
InChI=1S/Co/q+2
SMILES: [Co+2]
[Co+2]
Non polymer #3
MPD
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
SMILES: C[C@@H](CC(C)(C)O)O
C[C@@H](CC(C)(C)O)O
Non polymer #4
W1H
InChI=1S/C27H25N5O/c33-27(25-18-30-23-14-6-7-15-24(23)32-25)29-17-9-1-8-16-28-26-19-10-2-4-12-21(19)31-22-13-5-3-11-20(22)26/h2-7,10-15,18H,1,8-9,16-17H2,(H,28,31)(H,29,33)
InChI=1S/C27H25N5O/c33-27(25-18-30-23-14-6-7-15-24(23)32-25)29-17-9-1-8-16-28-26-19-10-2-4-12-21(19)31-22-13-5-3-11-20(22)26/h2-7,10-15,18H,1,8-9,16-17H2,(H,28,31)(H,29,33)
SMILES: c1ccc2c(c1)c(c3ccccc3n2)NCCCCCNC(=O)c4cnc5ccccc5n4
c1ccc2c(c1)c(c3ccccc3n2)NCCCCCNC(=O)c4cnc5ccccc5n4
Biounit #1
homo-dimer
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Model
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