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3U0U
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Crystal structure of the DB1883-D(CGCGAATTCGCG)2 complex at 1.24 A resolution
分子名称: 2-(4'-carbamimidoylbiphenyl-4-yl)-1H-indole-6-carboximidamide, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION
著者Wei, D.G, Neidle, S.
登録日2011-09-29
公開日2012-09-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Small-molecule binding to the DNA minor groove is mediated by a conserved water cluster.
J.Am.Chem.Soc., 135, 2013
3U2N
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BU of 3u2n by Molmil
Crystal structure of DNA(CGCGAATTCGCG)2 at 1.25 angstroms
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION
著者Wei, D.G, Neidle, S.
登録日2011-10-04
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Small-molecule binding to the DNA minor groove is mediated by a conserved water cluster.
J.Am.Chem.Soc., 135, 2013
3UYH
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BU of 3uyh by Molmil
Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide compound, MM41
分子名称: 4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, POTASSIUM ION, human telomeric DNA sequence
著者Collie, G.W, Neidle, S.
登録日2011-12-06
公開日2013-01-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based design and evaluation of naphthalene diimide g-quadruplex ligands as telomere targeting agents in pancreatic cancer cells.
J.Med.Chem., 56, 2013
1DNM
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BU of 1dnm by Molmil
CRYSTAL STRUCTURE AND SEQUENCE-DEPENDENT CONFORMATION OF THE A.G MIS-PAIRED OLIGONUCLEOTIDE D(CGCAAGCTGGCG)
分子名称: DNA (5'-D(*CP*GP*CP*AP*AP*GP*CP*TP*GP*GP*CP*G)-3')
著者Webster, G.D, Sanderson, M.R, Skelly, J.V, Neidle, S, Swann, P.F, Li, B.F, Tickle, I.J.
登録日1990-06-22
公開日1991-07-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure and sequence-dependent conformation of the A.G mispaired oligonucleotide d(CGCAAGCTGGCG).
Proc.Natl.Acad.Sci.USA, 87, 1990
1D65
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BU of 1d65 by Molmil
MOLECULAR STRUCTURE OF THE B-DNA DODECAMER D(CGCAAATTTGCG)2; AN EXAMINATION OF PROPELLER TWIST AND MINOR-GROOVE WATER STRUCTURE AT 2.2 ANGSTROMS RESOLUTION
分子名称: DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
著者Edwards, K.J, Brown, D.G, Spink, N, Neidle, S.
登録日1992-03-02
公開日1993-01-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular structure of the B-DNA dodecamer d(CGCAAATTTGCG)2. An examination of propeller twist and minor-groove water structure at 2.2 A resolution.
J.Mol.Biol., 226, 1992
1DS7
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BU of 1ds7 by Molmil
A MINOR FMN-DEPENDENT NITROREDUCTASE FROM ESCHERICHIA COLI B
分子名称: FLAVIN MONONUCLEOTIDE, FMN-DEPENDENT NITROREDUCTASE
著者Parkinson, G, Skelly, J, Neidle, S.
登録日2000-01-07
公開日2000-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal structure of FMN-dependent nitroreductase from Escherichia coli B: a prodrug-activating enzyme.
J.Med.Chem., 43, 2000
1D80
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BU of 1d80 by Molmil
CRYSTAL STRUCTURE OF AN OLIGONUCLEOTIDE DUPLEX CONTAINING G.G BASE-PAIRS: THE INFLUENCE OF MISPAIRING ON DNA BACKBONE CONFORMATION
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*GP*GP*CP*G)-3')
著者Skelly, J.V, Edwards, K.J, Jenkins, T.C, Neidle, S.
登録日1992-06-17
公開日1993-07-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of an oligonucleotide duplex containing G.G base pairs: influence of mispairing on DNA backbone conformation.
Proc.Natl.Acad.Sci.USA, 90, 1993
1D64
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CRYSTAL STRUCTURE OF A PENTAMIDINE-OLIGONUCLEOTIDE COMPLEX: IMPLICATIONS FOR DNA-BINDING PROPERTIES
分子名称: 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Edwards, K.J, Jenkins, T.C, Neidle, S.
登録日1992-03-02
公開日1993-01-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a pentamidine-oligonucleotide complex: implications for DNA-binding properties.
Biochemistry, 31, 1992
261D
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BU of 261d by Molmil
CRYSTAL STRUCTURE OF THE DNA DECAMER D(CGCAATTGCG) COMPLEXED WITH THE MINOR GROOVE BINDING DRUG NETROPSIN
分子名称: DNA (5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3'), NETROPSIN
著者Nunn, C.M, Garman, E, Neidle, S.
登録日1996-11-08
公開日1997-04-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the DNA decamer d(CGCAATTGCG) complexed with the minor groove binding drug netropsin.
Biochemistry, 36, 1997
237D
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BU of 237d by Molmil
CRYSTAL STRUCTURE OF A DNA DECAMER SHOWING A NOVEL PSEUDO FOUR-WAY HELIX-HELIX JUNCTION
分子名称: DNA (5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3')
著者Spink, N, Nunn, C.M, Vojtechovsky, J, Berman, H.M, Neidle, S.
登録日1995-09-28
公開日1996-03-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a DNA decamer showing a novel pseudo four-way helix-helix junction.
Proc.Natl.Acad.Sci.USA, 92, 1995
252D
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BU of 252d by Molmil
CRYSTAL STRUCTURE OF THE B-DNA DECAMER D(CGCAATTGCG)2; SEQUENCE-DEPENDENT CROSSED HELIX PACKING
分子名称: DNA (5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3')
著者Wood, A.A, Nunn, C.M, Trent, J.O, Neidle, S.
登録日1996-03-07
公開日1996-04-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Sequence-dependent crossed helix packing in the crystal structure of a B-DNA decamer yields a detailed model for the Holliday junction.
J.Mol.Biol., 269, 1997
281D
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BU of 281d by Molmil
CRYSTAL STRUCTURE OF THE A-DNA OCTAMER D(GGCATGCC)
分子名称: DNA (5'-D(*GP*GP*CP*AP*TP*GP*CP*C)-3')
著者Nunn, C.M, Neidle, S.
登録日1996-08-23
公開日1996-09-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure of the A-DNA octamer d(GGCATGCC).
Acta Crystallogr.,Sect.D, 53, 1997
296D
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BU of 296d by Molmil
SEQUENCE-DEPENDENT EFFECTS IN DRUG-DNA INTERACTION: THE CRYSTAL STRUCTURE OF HOECHST 33258 BOUND TO THE D(CGCAAATTTGCG)2 DUPLEX
分子名称: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
著者Spink, N, Brown, D.G, Skelly, J.V, Neidle, S.
登録日1994-07-21
公開日1996-12-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sequence-dependent effects in drug-DNA interaction: the crystal structure of Hoechst 33258 bound to the d(CGCAAATTTGCG)2 duplex.
Nucleic Acids Res., 22, 1994
2AVJ
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BU of 2avj by Molmil
G4(Br)UTTG4 dimeric quadruplex
分子名称: 5'-D(*GP*GP*GP*GP*(BRU)P*TP*TP*GP*GP*GP*G)-3', CACODYLATE ION, POTASSIUM ION
著者Hazel, P, Parkinson, G.N, Neidle, S.
登録日2005-08-30
公開日2006-03-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Topology variation and loop structural homology in crystal and simulated structures of a bimolecular DNA quadruplex.
J.Am.Chem.Soc., 128, 2006
2B3E
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BU of 2b3e by Molmil
Crystal structure of DB819-D(CGCGAATTCGCG)2 complex.
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE, MAGNESIUM ION
著者Campbell, N.H, Evans, D.A, Lee, M.P, Parkinson, G.N, Neidle, S.
登録日2005-09-20
公開日2005-11-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Targeting the DNA minor groove with fused ring dicationic compounds: Comparison of in silico screening and a high-resolution crystal structure.
Bioorg.Med.Chem.Lett., 16, 2006
295D
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BU of 295d by Molmil
CRYSTAL AND SOLUTION STRUCTURES OF THE OLIGONUCLEOTIDE D(ATGCGCAT)2: A COMBINED X-RAY AND NMR STUDY
分子名称: DNA (5'-D(*AP*TP*GP*CP*GP*CP*AP*T)-3')
著者Clark, G.R, Brown, D.G, Sanderson, M.R, Chwalinski, T, Neidle, S, Veal, J.M, Jones, R.L, Wilson, W.D, Zon, G, Garman, E, Stuart, D.I.
登録日1991-05-28
公開日1996-12-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal and solution structures of the oligonucleotide d(ATGCGCAT)2: a combined X-ray and NMR study.
Nucleic Acids Res., 18, 1990
2AVH
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G4T3G4 dimeric quadruplex structure
分子名称: 5'-D(*GP*GP*GP*GP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
著者Hazel, P, Parkinson, G.N, Neidle, S.
登録日2005-08-30
公開日2006-03-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Topology variation and loop structural homology in crystal and simulated structures of a bimolecular DNA quadruplex.
J.Am.Chem.Soc., 128, 2006
2B0K
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BU of 2b0k by Molmil
Crystal structure of the DB921-D(CGCGAATTCGCG)2 complex.
分子名称: 2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-AMIDINE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION
著者Miao, Y, Lee, M.P, Parkinson, G.N, Batista-Parra, A, Ismail, M.A, Neidle, S, Boykin, D.W, Wilson, W.D.
登録日2005-09-14
公開日2005-11-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Out-of-Shape DNA Minor Groove Binders: Induced Fit Interactions of Heterocyclic Dications with the DNA Minor Groove.
Biochemistry, 44, 2005
2GWE
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BU of 2gwe by Molmil
Crystal structure of D(G4T4G4) with six quadruplexes in the asymmetric unit.
分子名称: 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
著者Lee, M.P.H, Haider, S, Parkinson, G.N, Neidle, S.
登録日2006-05-04
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of D(G4T4G4) with four and six quadruplexes in the asymmetric unit.
To be Published
2GWQ
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Crystal structure of D(G4T4G4) with four quadruplexes in the asymmetric unit.
分子名称: 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
著者Lee, M.P.H, Parkinson, G.N, Neidle, S.
登録日2006-05-05
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of D(G4T4G4) with four and six quadruplexes in the asymmetric unit.
To be Published
2DBE
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BU of 2dbe by Molmil
CRYSTAL STRUCTURE OF A BERENIL-DODECANUCLEOTIDE COMPLEX: THE ROLE OF WATER IN SEQUENCE-SPECIFIC LIGAND BINDING
分子名称: BERENIL, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Brown, D.G, Sanderson, M.R, Skelly, J.V, Jenkins, T.C, Brown, T, Garman, E, Stuart, D.I, Neidle, S.
登録日1990-03-19
公開日1991-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a berenil-dodecanucleotide complex: the role of water in sequence-specific ligand binding.
EMBO J., 9, 1990
2GW0
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BU of 2gw0 by Molmil
A D(TGGGGT)- sodium and calcium complex.
分子名称: 5'-D(*TP*GP*GP*GP*GP*T)-3', CALCIUM ION, SODIUM ION
著者Lee, M.P.H, Parkinson, G.N, Neidle, S.
登録日2006-05-03
公開日2007-05-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Observation of the coexistence of sodium and calcium ions in a DNA G-quadruplex ion channel.
J.Am.Chem.Soc., 129, 2007
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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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

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