Search by PDB author

DNA-DB1879 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB1879).
Descriptor:	2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide, DNA (5'-D(CPGPCPGPAPAPTPTPCPGPCPG)-3'), MAGNESIUM ION
Authors:	Ogbonna, E, Fang, Z, Wilson, D.W.
Deposit date:	2020-12-01
Release date:	2021-12-08
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (1.37 Å)
Cite:	Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines. Bioorg.Med.Chem., 68, 2022

NMR and Restrained Molecular Dynamics Determination of the Structure of an Aza-Benzimidazole Derivative Complex with the DNA Minor Groove of an -AAGATA- Sequence
Descriptor:	DNA (5'-D(CPCPAPAPGPAPTPAPG)-3'), DNA (5'-D(CPTPAPTPCPTPTPGPG)-3')
Authors:	Harika, N.K, Germann, M.W, Boykin, D.W.
Deposit date:	2017-08-24
Release date:	2018-01-31
Last modified:	2020-01-01
Method:	SOLUTION NMR
Cite:	First Structure of a Designed Minor Groove Binding Heterocyclic Cation that Specifically Recognizes Mixed DNA Base Pair Sequences. Chemistry, 23, 2017

DNA-DB818 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB818).
Descriptor:	1:(5'-D(CPGPCPGPAPAPTPTPCPGPCPG)-3'), 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, MAGNESIUM ION
Authors:	Ogbonna, E, Fang, Z, Wilson, W.D.
Deposit date:	2020-11-24
Release date:	2021-12-01
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (1.6 Å)
Cite:	Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines. Bioorg.Med.Chem., 68, 2022