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Structure paper

TitleX-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Journal, issue, pagesAcs Bio Med Chem Au, Vol. 3, Page 335-348, Year 2023
Publish dateAug 31, 2022 (structure data deposition date)
AuthorsOgbonna, E.N. / Paul, A. / Farahat, A.A. / Terrell, J.R. / Mineva, E. / Ogbonna, V. / Boykin, D.W. / Wilson, W.D.
External linksAcs Bio Med Chem Au / PubMed:37599788
MethodsX-ray diffraction
Resolution1.08 - 2.23 Å
Structure data

PDB-8ec1:
5'-CGCGAATTCGCG-3' and benzimidazole diamidine (DB1476) comlpex with ligand orientation I
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-8ed6:
5'-CGCGAATTCGCG-3' and benzimidazole diamidine (DB1476) complex with ligand orientation II
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-8eda:
An alternating AT dodecamer benzimidazole (DB1476) complex
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-8edb:
5'-CGCGAATTCGCG-3' and an AT-specific binder (DB1884) complex
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-8f1s:
A benzimidazole (DB1476) sequence-specific recognition of 5'-CGCAAAAAAGCG-3' in A-orientation
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-8f1v:
A benzimidazole (DB1476) sequence-specific recognition of 5'-CGCAAAAAAGCG-3' in B-orientation
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-8f20:
Structure of an A-tract B-DNA Dodecamer: 5'-CGCAAAAAAGCG-3
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

PDB-8f2w:
Structure of a B-Form Dodecamer: 5'-CGCGAATTCGCG-3
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-8f2y:
Structure of an alternating AT dodecamer: 5'-CGCGATATCGCG-3
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-8f94:
Structure of an alternating AT 16-mer: 5'-GCTGGATATATCCAGC-3
Method: X-RAY DIFFRACTION / Resolution: 1.08 Å

PDB-8fb4:
Structure of an alternating AT 16-mer bound by diamidine DB1476: 5'-GCTGGATATATCCAGC-3
Method: X-RAY DIFFRACTION / Resolution: 1.49 Å

PDB-8fdp:
The native structure of a dodecamer: 5'-CGCAAATTTGCG-3
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-8fdq:
An AT-specific DNA 5-CGCAAATTTCGC-3' with benzimidazole (DB1476) complex
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

PDB-8fdr:
Structure of a dodecamer complex: 5'-CGCGAAAAGCCG-3-DB1476
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-WFB:
4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide)

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-884:
4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide

ChemComp-CA:
Unknown entry

Source
  • homo (humans)
  • homo sapiens (human)
  • dna molecule (others)
KeywordsDNA / B-DNA / MINOR GROOVE / SMALL MOLECULE / Minor groove binder / sequence recognition / AT sequence

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