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2GYX
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BU of 2gyx by Molmil
Crystal structure of DB884- D(CGCGAATTCGCG)2 complex at 1.86 A resolution.
分子名称: 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
著者Lee, M.P.H, Neidle, S.
登録日2006-05-10
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Induced fit conformational changes of a "reversed amidine" heterocycle: optimized interactions in a DNA minor groove complex.
J.Am.Chem.Soc., 129, 2007
2HRI
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BU of 2hri by Molmil
A parallel stranded human telomeric quadruplex in complex with the porphyrin TMPyP4
分子名称: (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
著者Parkinson, G.N, Ghosh, R, Neidle, S.
登録日2006-07-20
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural basis for binding of porphyrin to human telomeres.
Biochemistry, 46, 2007
2I2I
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BU of 2i2i by Molmil
Crystal structure of the DB293-D(CGCGAATTCGCG)2 complex.
分子名称: 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
著者Lee, M.P.H, Neidle, S.
登録日2006-08-16
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of the DB293-D(CGCGAATTCGCG)2 complex.
To be Published
8XP8
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BU of 8xp8 by Molmil
Crystal structure of d(ACGmCCGT/ACGGCGT) in complex with Echinomycin
分子名称: 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'), ...
著者Hou, M.H, Lin, S.M, Neidle, H.
登録日2024-01-03
公開日2024-05-29
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural basis of water-mediated cis Watson-Crick/Hoogsteen base-pair formation in non-CpG methylation.
Nucleic Acids Res., 52, 2024
6L76
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BU of 6l76 by Molmil
Crystal structure of the Ni(II)(Chro)2-d(TTGGGCCGAA/TTCGGCCCAA) complex at 2.94 angstrom resolution
分子名称: (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, ...
著者Hou, M.H, Jhan, C.R, Satange, R.B, Lin, S.M.
登録日2019-10-31
公開日2021-01-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献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
9C46
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BU of 9c46 by Molmil
Right-left hybrid parallel G-quadruplex from SLC2A1 promoter
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (25-MER), POTASSIUM ION, ...
著者Xing, E.R, Yatsunyk, L.A.
登録日2024-06-03
公開日2025-01-15
最終更新日2025-02-05
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献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
5XEW
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BU of 5xew by Molmil
Crystal structure of the [Ni2+-(chromomycin A3)2]-CCG repeats complex
分子名称: (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, ...
著者Tseng, W.H, Wu, P.C, Hou, M.H.
登録日2017-04-06
公開日2017-06-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献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
9JL7
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BU of 9jl7 by Molmil
Crystal structure of Actinomycin D-Doxorubicin-d(AGCCGT)2 DNA ternary complex
分子名称: Actinomycin D, CHLORIDE ION, DNA (5'-D(P*AP*CP*GP*GP*CP*T)-3'), ...
著者Li, H.J, Satange, R.B, Hou, M.H.
登録日2024-09-18
公開日2025-03-12
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献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
4PZQ
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BU of 4pzq by Molmil
Crystal Structure of CCG DNA repeats
分子名称: COBALT (II) ION, DNA (5'-D(*TP*CP*CP*GP*CP*CP*GP*CP*CP*GP*A)-3')
著者Chen, Y.W, Hou, M.H.
登録日2014-03-31
公開日2015-01-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献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
5DWW
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BU of 5dww by Molmil
Structural Insights into the Quadruplex-Duplex 3' Interface formed from a Telomeric Repeat - TTLOOP
分子名称: DNA (25-MER), DNA (5'-D(*TP*AP*AP*CP*GP*CP*TP*A)-3'), POTASSIUM ION
著者Russo Krauss, I, Parkinson, G.N.
登録日2015-09-23
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural Insights into the Quadruplex-Duplex 3' Interface Formed from a Telomeric Repeat: A Potential Molecular Target.
J.Am.Chem.Soc., 138, 2016
5DWX
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BU of 5dwx by Molmil
Structural Insights into the Quadruplex-Duplex 3' Interface formed from a Telomeric Repeat - TLOOP
分子名称: DNA (24-MER), DNA complementary strand, POTASSIUM ION
著者Parkinson, G.N, Russo Krauss, I.
登録日2015-09-23
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural Insights into the Quadruplex-Duplex 3' Interface Formed from a Telomeric Repeat: A Potential Molecular Target.
J.Am.Chem.Soc., 138, 2016
7KLP
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BU of 7klp by Molmil
Crystal structure of a three-tetrad, parallel, K+ stabilized human telomeric G-quadruplex
分子名称: HEXAETHYLENE GLYCOL, POTASSIUM ION, telomeric DNA
著者Yatsunyk, L.A, Li, K.S, Chen, E.V.
登録日2020-10-30
公開日2020-12-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Water spines and networks in G-quadruplex structures.
Nucleic Acids Res., 49, 2021
8V4T
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BU of 8v4t by Molmil
The Native DNA 16-mer sequence 5'-GCTGCGTTAACGCAGC-3
分子名称: CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*CP*GP*TP*TP*AP*AP*CP*GP*CP*AP*GP*C)-3')
著者Terrell, J.R, Wilson, W.D.
登録日2023-11-29
公開日2024-10-02
最終更新日2025-03-05
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献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
8VIU
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BU of 8viu by Molmil
The DNA 16-mer sequence 5'-GCTGCGTTAACGCAGC-3' bound by a DB1992 stacked dimer
分子名称: (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')
著者Terrell, J.R, Wilson, W.D.
登録日2024-01-05
公開日2024-10-02
最終更新日2025-03-05
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献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
8WNB
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BU of 8wnb by Molmil
Crystal structure of d(ACGCCGT/ACGICGT)
分子名称: DNA (5'-D(P*AP*CP*GP*CP*CP*GP*T)-3'), DNA (5'-D(P*AP*CP*GP*IP*CP*GP*T)-3')
著者Hou, M.H, Huang, H.T, Lin, S.M.
登録日2023-10-05
公開日2024-05-29
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural basis of water-mediated cis Watson-Crick/Hoogsteen base-pair formation in non-CpG methylation.
Nucleic Acids Res., 52, 2024
8TAA
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BU of 8taa by Molmil
Right-left hybrid parallel G-quadruplex in complex with N-methyl mesoporphyrin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (25-MER), N-METHYLMESOPORPHYRIN, ...
著者Seth, P.C, Yatsunyk, L.A.
登録日2023-06-27
公開日2024-07-03
最終更新日2025-02-05
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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
4E68
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BU of 4e68 by Molmil
Unphosphorylated STAT3B core protein binding to dsDNA
分子名称: 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
著者Collie, G.W, Parkinson, G.N, Shah, R.
登録日2012-03-15
公開日2013-03-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.585 Å)
主引用文献Observation of unphosphorylated STAT3 core protein binding to target dsDNA by PEMSA and X-ray crystallography.
Febs Lett., 587, 2013
7DQ8
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BU of 7dq8 by Molmil
Crystal structure of actinomycin D-echinomycin-d(ACGCGCT/AGCTCGT) complex
分子名称: 2-CARBOXYQUINOXALINE, Actinomycin D, DNA (5'-D(P*AP*CP*GP*CP*GP*CP*T)-3'), ...
著者Satange, R.B, Hou, M.H.
登録日2020-12-22
公開日2021-12-29
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Synergistic binding of actinomycin D and echinomycin to DNA mismatch sites and their combined anti-tumour effects.
Nucleic Acids Res., 2023
7DQ0
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BU of 7dq0 by Molmil
Crystal structure of actinomycin D-echinomycin-d(ACGTGCT/AGCTCGT) complex
分子名称: 2-CARBOXYQUINOXALINE, Actinomycin D, CHLORIDE ION, ...
著者Satange, R.B, Hou, M.H.
登録日2020-12-22
公開日2021-12-29
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synergistic binding of actinomycin D and echinomycin to DNA mismatch sites and their combined anti-tumour effects.
Nucleic Acids Res., 2023
7BPV
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BU of 7bpv by Molmil
r(GUGGGCCGAC)/d(GTCGGCCCAC) hybrid duplex structure
分子名称: 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
著者Wang, S.C, Satange, R.B, Hou, M.H.
登録日2020-03-23
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.781 Å)
主引用文献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
6XT7
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BU of 6xt7 by Molmil
Tel25 Hybrid Four-quartet G-quadruplex with K+
分子名称: DNA (25-MER), MAGNESIUM ION, POTASSIUM ION, ...
著者Yatsunyk, L.A, McCarthy, S.E.
登録日2020-07-17
公開日2020-12-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献The first crystal structures of hybrid and parallel four-tetrad intramolecular G-quadruplexes.
Nucleic Acids Res., 50, 2022
5ZT2
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BU of 5zt2 by Molmil
Crystal structure of CCG DNA repeats at 1.66 angstrom resolution
分子名称: COBALT (II) ION, DNA (5'-D(*TP*CP*CP*GP*CP*CP*GP*CP*CP*GP*A)-3')
著者Hou, M.H, Wu, P.C, Satange, R.B, Chen, Y.W.
登録日2018-05-01
公開日2019-05-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.66002166 Å)
主引用文献Crystallographic analysis of conformational change in CCG repeats into i-motif and unusual DNA duplex in presence and absence of CoII(Chro)2 complex
To Be Published
7X6R
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BU of 7x6r by Molmil
Crystal structure of actinomycin D-echinomycin-d(AGCACGT/ACGGGCT) complex
分子名称: 2-CARBOXYQUINOXALINE, Actinomycin D, COBALT (II) ION, ...
著者Kao, S.H, Satange, R.B, Hou, M.H.
登録日2022-03-08
公開日2022-12-14
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献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
7X9F
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BU of 7x9f by Molmil
Crystal structure of actinomycin D-echinomycin-d(AGCGCGT/ACGCGCT) complex
分子名称: 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'), ...
著者Kao, S.H, Satange, R.B, Hou, M.H.
登録日2022-03-15
公開日2022-12-14
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献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
7X97
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BU of 7x97 by Molmil
Crystal structure of actinomycin D-echinomycin-d(AGCCCGT/ACGGGCT) complex
分子名称: 2-CARBOXYQUINOXALINE, Actinomycin D, CHLORIDE ION, ...
著者Kao, S.H, Satange, R.B, Hou, M.H.
登録日2022-03-15
公開日2022-12-14
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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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