453D
| 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-BENZIMIDAZOLE COMPLEX | Descriptor: | 4-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE-5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY-BENZENE], DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Neidle, S. | Deposit date: | 1999-02-18 | Release date: | 2000-05-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Symmetric bis-benzimidazoles, a new class of sequence-selective DNA-binding molecules J.Chem.Soc.,Chem.Commun., 1999
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2I5A
| Crystal structure of a DB1055-D(CGCGAATTCGCG)2 complex | Descriptor: | 2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | Authors: | Neidle, S, Lee, M.P.H. | Deposit date: | 2006-08-24 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of a DB1055-D(CGCGAATTCGCG)2 complex To be Published
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1EEL
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1EM0
| COMPLEX OF D(CCTAGG) WITH TETRA-[N-METHYL-PYRIDYL] PORPHYRIN | Descriptor: | DNA (5'-D(*(CBR)P*CP*TP*AP*GP*G)-3'), MAGNESIUM ION, TETRA[N-METHYL-PYRIDYL] PORPHYRIN-NICKEL | Authors: | Neidle, S, Sanderson, M, Bennett, M, Krah, A, Wien, F, Garman, E, McKenna, R. | Deposit date: | 2000-03-14 | Release date: | 2000-08-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | A DNA-porphyrin minor-groove complex at atomic resolution: the structural consequences of porphyrin ruffling. Proc.Natl.Acad.Sci.USA, 97, 2000
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2GVR
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109D
| VARIABILITY IN DNA MINOR GROOVE WIDTH RECOGNISED BY LIGAND BINDING: THE CRYSTAL STRUCTURE OF A BIS-BENZIMIDAZOLE COMPOUND BOUND TO THE DNA DUPLEX D(CGCGAATTCGCG)2 | Descriptor: | 5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Czarny, A, Boykin, D.W, Wood, A.A, Nunn, C.M, Neidle, S, Zhao, M, Wilson, W.D. | Deposit date: | 1995-02-15 | Release date: | 1995-05-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Variability in DNA minor groove width recognised by ligand binding: the crystal structure of a bis-benzimidazole compound bound to the DNA duplex d(CGCGAATTCGCG)2. Nucleic Acids Res., 23, 1995
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166D
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4WO2
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4WO3
| THE SECOND C-KIT DNA QUADRUPLEX CRYSTAL STRUCTURE | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*CP*TP*GP*GP*GP*AP*GP*GP*AP*GP*GP*G)-3'), POTASSIUM ION | Authors: | Wei, D, Neidle, S. | Deposit date: | 2014-10-15 | Release date: | 2014-10-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | THE SECOND C-KIT1 DNA QUADRUPLEX CRYSTAL STRUCTURE TO BE PUBLISHED
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102D
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1VZK
| A Thiophene Based Diamidine Forms a "Super" AT Binding Minor Groove Agent | Descriptor: | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP *CP*G)-3', MAGNESIUM ION | Authors: | Mallena, S, Lee, M.P.H, Bailly, C, Neidle, S, Kumar, A, Boykin, D.W, Wilson, W.D. | Deposit date: | 2004-05-20 | Release date: | 2004-10-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Thiophene-Based Diamidine Forms a "Super" at Binding Minor Groove Agent J.Am.Chem.Soc., 142, 2004
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2O3M
| Monomeric G-DNA tetraplex from human C-kit promoter | Descriptor: | 5'-D(*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*CP*TP*GP*GP*GP*AP*GP*GP*AP*GP*GP*G)-3' | Authors: | Phan, A.T, Kuryavyi, V.V, Burge, S, Neidle, S, Patel, D.J. | Deposit date: | 2006-12-01 | Release date: | 2007-05-22 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structure of an unprecedented G-quadruplex scaffold in the human c-kit promoter. J.Am.Chem.Soc., 129, 2007
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4KWX
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2NLM
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303D
| META-HYDROXY ANALOGUE OF HOECHST 33258 ('HYDROXYL OUT' CONFORMATION) BOUND TO D(CGCGAATTCGCG)2 | Descriptor: | 3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-BENZIMIDAZOL-2-YL]-PHENOL, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Clark, G.R, Squire, C.J, Gray, E.J, Leupin, W, Neidle, S. | Deposit date: | 1996-06-26 | Release date: | 1997-01-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Designer DNA-binding drugs: the crystal structure of a meta-hydroxy analogue of Hoechst 33258 bound to d(CGCGAATTCGCG)2. Nucleic Acids Res., 24, 1996
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360D
| STRUCTURE OF 2,5-BIS{[4-(N-ETHYLAMIDINO)PHENYL]}FURAN COMPLEXED TO 5'-D(CPGPCPGPAPAPTPTPCPGPCPG)-3'. A MINOR GROOVE DRUG COMPLEX, SHOWING PATTERNS OF GROOVE HYDRATION | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium | Authors: | Guerri, A, Simpson, I.J, Neidle, S. | Deposit date: | 1997-10-29 | Release date: | 1998-07-16 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Visualisation of extensive water ribbons and networks in a DNA minor-groove drug complex. Nucleic Acids Res., 26, 1998
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3MIJ
| Crystal structure of a telomeric RNA G-quadruplex complexed with an acridine-based ligand. | Descriptor: | N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide], POTASSIUM ION, RNA (5'-R(*UP*AP*GP*GP*GP*UP*UP*AP*GP*GP*GP*U)-3') | Authors: | Collie, G.W, Neidle, S, Parkinson, G.N. | Deposit date: | 2010-04-10 | Release date: | 2011-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of telomeric RNA quadruplex-acridine ligand recognition. J.Am.Chem.Soc., 133, 2011
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3QCR
| Incomplete structural model of a human telomeric DNA quadruplex-acridine complex. | Descriptor: | Human telomeric repeat deoxyribonucleic acid, N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide], POTASSIUM ION | Authors: | Collie, G.W, Neidle, S, Parkinson, G.N. | Deposit date: | 2011-01-17 | Release date: | 2011-02-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of telomeric RNA quadruplex-acridine ligand recognition. J.Am.Chem.Soc., 133, 2011
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1PRP
| CRYSTAL STRUCTURE OF D(CGCGAATTCGCG) COMPLEXED WITH PROPAMIDINE, A SHORT-CHAIN HOMOLOGUE OF THE DRUG PENTAMIDIN | Descriptor: | 1,3-BIS(AMIDINOPHENOXY)PROPANE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Nunn, C.M, Jenkins, T.C, Neidle, S. | Deposit date: | 1993-07-23 | Release date: | 1994-01-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of d(CGCGAATTCGCG) complexed with propamidine, a short-chain homologue of the drug pentamidine. Biochemistry, 32, 1993
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4H29
| B-raf dimer DNA quadruplex | Descriptor: | DNA (5'-D(*GP*GP*GP*CP*GP*GP*GP*GP*AP*GP*GP*GP*GP*GP*AP*AP*GP*GP*GP*A)-3'), POTASSIUM ION | Authors: | Wei, D, Parkinson, G, Neidle, S. | Deposit date: | 2012-09-12 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | Crystal Structure of a Promoter Sequence in the B-raf Gene Reveals an Intertwined Dimer Quadruplex. J.Am.Chem.Soc., 135, 2013
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1K8P
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1KF1
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3IBK
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3OIE
| Crystal structure of the DB1880-D(CGCGAATTCGCG)2 complex | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, N',N''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide | Authors: | Lin, S, Neidle, S, Campbell, N. | Deposit date: | 2010-08-19 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the DB1880-D(CGCGAATTCGCG)2 complex To be Published
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1JRN
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