2GYX
 
 | | Crystal structure of DB884- D(CGCGAATTCGCG)2 complex at 1.86 A resolution. | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-PHENYLENE)DIBENZENECARBOXIMIDAMIDE | | Authors: | Lee, M.P.H, Neidle, S. | | Deposit date: | 2006-05-10 | | Release date: | 2007-05-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Induced fit conformational changes of a "reversed amidine" heterocycle: optimized interactions in a DNA minor groove complex.
J.Am.Chem.Soc., 129, 2007
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2HRI
 | | A parallel stranded human telomeric quadruplex in complex with the porphyrin TMPyP4 | | Descriptor: | (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, 5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3', POTASSIUM ION | | Authors: | Parkinson, G.N, Ghosh, R, Neidle, S. | | Deposit date: | 2006-07-20 | | Release date: | 2007-05-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural basis for binding of porphyrin to human telomeres.
Biochemistry, 46, 2007
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2I2I
 | | Crystal structure of the DB293-D(CGCGAATTCGCG)2 complex. | | Descriptor: | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | | Authors: | Lee, M.P.H, Neidle, S. | | Deposit date: | 2006-08-16 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Crystal structure of the DB293-D(CGCGAATTCGCG)2 complex.
To be Published
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8XP8
 | | Crystal structure of d(ACGmCCGT/ACGGCGT) in complex with Echinomycin | | Descriptor: | 2-CARBOXYQUINOXALINE, DNA (5'-D(P*AP*CP*GP*(5CM)P*CP*GP*T)-3'), DNA (5'-D(P*AP*CP*GP*GP*CP*GP*T)-3'), ... | | Authors: | Hou, M.H, Lin, S.M, Neidle, H. | | Deposit date: | 2024-01-03 | | Release date: | 2024-05-29 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural basis of water-mediated cis Watson-Crick/Hoogsteen base-pair formation in non-CpG methylation.
Nucleic Acids Res., 52, 2024
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6L76
 | | Crystal structure of the Ni(II)(Chro)2-d(TTGGGCCGAA/TTCGGCCCAA) complex at 2.94 angstrom resolution | | Descriptor: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ... | | Authors: | Hou, M.H, Jhan, C.R, Satange, R.B, Lin, S.M. | | Deposit date: | 2019-10-31 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Targeting the ALS/FTD-associated A-DNA kink with anthracene-based metal complex causes DNA backbone straightening and groove contraction.
Nucleic Acids Res., 49, 2021
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9C46
 | | Right-left hybrid parallel G-quadruplex from SLC2A1 promoter | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (25-MER), POTASSIUM ION, ... | | Authors: | Xing, E.R, Yatsunyk, L.A. | | Deposit date: | 2024-06-03 | | Release date: | 2025-01-15 | | Last modified: | 2025-02-05 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Interaction of N-methylmesoporphyrin IX with a hybrid left-/right-handed G-quadruplex motif from the promoter of the SLC2A1 gene.
Nucleic Acids Res., 53, 2025
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5XEW
 | | Crystal structure of the [Ni2+-(chromomycin A3)2]-CCG repeats complex | | Descriptor: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ... | | Authors: | Tseng, W.H, Wu, P.C, Hou, M.H. | | Deposit date: | 2017-04-06 | | Release date: | 2017-06-21 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Induced-Fit Recognition of CCG Trinucleotide Repeats by a Nickel-Chromomycin Complex Resulting in Large-Scale DNA Deformation
Angew. Chem. Int. Ed. Engl., 56, 2017
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9JL7
 | | Crystal structure of Actinomycin D-Doxorubicin-d(AGCCGT)2 DNA ternary complex | | Descriptor: | Actinomycin D, CHLORIDE ION, DNA (5'-D(P*AP*CP*GP*GP*CP*T)-3'), ... | | Authors: | Li, H.J, Satange, R.B, Hou, M.H. | | Deposit date: | 2024-09-18 | | Release date: | 2025-03-12 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural and Functional Insights into Targeting GCCG Sites in the EGFR Promoter by Two DNA Intercalators to Inhibit Breast Cancer Metastasis.
J.Med.Chem., 68, 2025
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4PZQ
 | | Crystal Structure of CCG DNA repeats | | Descriptor: | COBALT (II) ION, DNA (5'-D(*TP*CP*CP*GP*CP*CP*GP*CP*CP*GP*A)-3') | | Authors: | Chen, Y.W, Hou, M.H. | | Deposit date: | 2014-03-31 | | Release date: | 2015-01-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural basis for the identification of an i-motif tetraplex core with a parallel-duplex junction as a structural motif in CCG triplet repeats
Angew.Chem.Int.Ed.Engl., 53, 2014
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5DWW
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5DWX
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7KLP
 | | Crystal structure of a three-tetrad, parallel, K+ stabilized human telomeric G-quadruplex | | Descriptor: | HEXAETHYLENE GLYCOL, POTASSIUM ION, telomeric DNA | | Authors: | Yatsunyk, L.A, Li, K.S, Chen, E.V. | | Deposit date: | 2020-10-30 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Water spines and networks in G-quadruplex structures.
Nucleic Acids Res., 49, 2021
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8V4T
 | | The Native DNA 16-mer sequence 5'-GCTGCGTTAACGCAGC-3 | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*CP*GP*TP*TP*AP*AP*CP*GP*CP*AP*GP*C)-3') | | Authors: | Terrell, J.R, Wilson, W.D. | | Deposit date: | 2023-11-29 | | Release date: | 2024-10-02 | | Last modified: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Alternative Approach to Sequence-Specific Recognition of DNA: Cooperative Stacking of Dication Dimers─Sensitivity to Compound Curvature, Aromatic Structure, and DNA Sequence.
Acs Chem.Biol., 20, 2025
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8VIU
 | | The DNA 16-mer sequence 5'-GCTGCGTTAACGCAGC-3' bound by a DB1992 stacked dimer | | Descriptor: | (2M)-2-[(5P)-5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]-1H-benzimidazole-6-carboximidamide, CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*CP*GP*TP*TP*AP*AP*CP*GP*CP*AP*GP*C)-3') | | Authors: | Terrell, J.R, Wilson, W.D. | | Deposit date: | 2024-01-05 | | Release date: | 2024-10-02 | | Last modified: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Alternative Approach to Sequence-Specific Recognition of DNA: Cooperative Stacking of Dication Dimers─Sensitivity to Compound Curvature, Aromatic Structure, and DNA Sequence.
Acs Chem.Biol., 20, 2025
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8WNB
 | | Crystal structure of d(ACGCCGT/ACGICGT) | | Descriptor: | DNA (5'-D(P*AP*CP*GP*CP*CP*GP*T)-3'), DNA (5'-D(P*AP*CP*GP*IP*CP*GP*T)-3') | | Authors: | Hou, M.H, Huang, H.T, Lin, S.M. | | Deposit date: | 2023-10-05 | | Release date: | 2024-05-29 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural basis of water-mediated cis Watson-Crick/Hoogsteen base-pair formation in non-CpG methylation.
Nucleic Acids Res., 52, 2024
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8TAA
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4E68
 | | Unphosphorylated STAT3B core protein binding to dsDNA | | Descriptor: | DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*CP*T)-3'), Signal transducer and activator of transcription 3 | | Authors: | Collie, G.W, Parkinson, G.N, Shah, R. | | Deposit date: | 2012-03-15 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.585 Å) | | Cite: | Observation of unphosphorylated STAT3 core protein binding to target dsDNA by PEMSA and X-ray crystallography.
Febs Lett., 587, 2013
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7DQ8
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7DQ0
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7BPV
 | | r(GUGGGCCGAC)/d(GTCGGCCCAC) hybrid duplex structure | | Descriptor: | DNA (5'-D(P*GP*TP*CP*GP*GP*CP*CP*CP*AP*C)-3'), RNA (5'-R(P*GP*UP*GP*GP*GP*CP*CP*GP*AP*C)-3'), SULFATE ION | | Authors: | Wang, S.C, Satange, R.B, Hou, M.H. | | Deposit date: | 2020-03-23 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.781 Å) | | Cite: | Targeting the ALS/FTD-associated A-DNA kink with anthracene-based metal complex causes DNA backbone straightening and groove contraction.
Nucleic Acids Res., 49, 2021
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6XT7
 | | Tel25 Hybrid Four-quartet G-quadruplex with K+ | | Descriptor: | DNA (25-MER), MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Yatsunyk, L.A, McCarthy, S.E. | | Deposit date: | 2020-07-17 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The first crystal structures of hybrid and parallel four-tetrad intramolecular G-quadruplexes.
Nucleic Acids Res., 50, 2022
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5ZT2
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7X6R
 | | Crystal structure of actinomycin D-echinomycin-d(AGCACGT/ACGGGCT) complex | | Descriptor: | 2-CARBOXYQUINOXALINE, Actinomycin D, COBALT (II) ION, ... | | Authors: | Kao, S.H, Satange, R.B, Hou, M.H. | | Deposit date: | 2022-03-08 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Staggered intercalation of DNA duplexes with base-pair modulation by two distinct drug molecules induces asymmetric backbone twisting and structure polymorphism.
Nucleic Acids Res., 50, 2022
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7X9F
 | | Crystal structure of actinomycin D-echinomycin-d(AGCGCGT/ACGCGCT) complex | | Descriptor: | 2-CARBOXYQUINOXALINE, DNA (5'-D(P*AP*CP*GP*CP*GP*CP*T)-3'), DNA (5'-D(P*AP*GP*CP*GP*CP*GP*T)-3'), ... | | Authors: | Kao, S.H, Satange, R.B, Hou, M.H. | | Deposit date: | 2022-03-15 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Staggered intercalation of DNA duplexes with base-pair modulation by two distinct drug molecules induces asymmetric backbone twisting and structure polymorphism.
Nucleic Acids Res., 50, 2022
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7X97
 | | Crystal structure of actinomycin D-echinomycin-d(AGCCCGT/ACGGGCT) complex | | Descriptor: | 2-CARBOXYQUINOXALINE, Actinomycin D, CHLORIDE ION, ... | | Authors: | Kao, S.H, Satange, R.B, Hou, M.H. | | Deposit date: | 2022-03-15 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Staggered intercalation of DNA duplexes with base-pair modulation by two distinct drug molecules induces asymmetric backbone twisting and structure polymorphism.
Nucleic Acids Res., 50, 2022
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