1EEL
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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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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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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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1M6F
| Strong Binding in the DNA Minor Groove by an Aromatic Diamidine With a Shape That Does Not Match the Curvature of the Groove | Descriptor: | 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Nguyen, B, Lee, M.P.H, Hamelberg, D, Joubert, A, Bailly, C, Brun, R, Neidle, S, Wilson, W.D. | Deposit date: | 2002-07-16 | Release date: | 2002-11-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Strong Binding in the DNA Minor Groove by an Aromatic Diamidine With a Shape That Does Not Match the Curvature of the Groove J.Am.Chem.Soc., 124, 2002
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3CDM
| Structural adaptation and conservation in quadruplex-drug recognition | Descriptor: | 2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, DNA (5'-D(*DT*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DG)-3'), POTASSIUM ION | Authors: | Parkinson, G.N, Neidle, S. | Deposit date: | 2008-02-27 | Release date: | 2008-09-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Topology conservation and loop flexibility in quadruplex-drug recognition: crystal structures of inter- and intramolecular telomeric DNA quadruplex-drug complexes J.Mol.Biol., 381, 2008
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3CE5
| A bimolecular parallel-stranded human telomeric quadruplex in complex with a 3,6,9-trisubstituted acridine molecule BRACO19 | Descriptor: | 9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine, DNA (5'-D(*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DT)-3'), POTASSIUM ION | Authors: | Campbell, N.H, Parkinson, G.N, Reszka, A.P, Neidle, S. | Deposit date: | 2008-02-28 | Release date: | 2008-05-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of DNA quadruplex recognition by an acridine drug. J.Am.Chem.Soc., 130, 2008
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3CCO
| Structural adaptation and conservation in quadruplex-drug recognition | Descriptor: | 2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, DNA (5'-D(*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DT)-3'), POTASSIUM ION, ... | Authors: | Parkinson, G.N, Neidle, S. | Deposit date: | 2008-02-26 | Release date: | 2008-09-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Topology conservation and loop flexibility in quadruplex-drug recognition: crystal structures of inter- and intramolecular telomeric DNA quadruplex-drug complexes J.Mol.Biol., 381, 2008
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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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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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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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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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2NLM
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3NYP
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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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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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4KWX
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8XPA
| Crystal structure of d(ACGmCCGT/ACGGCGT) | Descriptor: | 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'), MAGNESIUM ION, ... | Authors: | Hou, M.H, Lin, S.M, Neidle, S. | Deposit date: | 2024-01-03 | Release date: | 2024-05-29 | Last modified: | 2024-08-28 | Method: | X-RAY DIFFRACTION (2 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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8XP9
| Crystal structure of d(ACGCCGT/ACGGCGT) | Descriptor: | DNA (5'-D(P*AP*CP*GP*CP*CP*GP*T)-3'), DNA (5'-D(P*AP*CP*GP*GP*CP*GP*T)-3') | Authors: | Hou, M.H, Lin, S.M, Lin, Y.J, Neidle, S. | Deposit date: | 2024-01-03 | Release date: | 2024-05-29 | Last modified: | 2024-08-28 | Method: | X-RAY DIFFRACTION (2.34 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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8XPB
| Crystal structure of d(ACGCCGT/ACGGCGT) in complex with Echinomycin | Descriptor: | 2-CARBOXYQUINOXALINE, DNA (5'-D(P*AP*CP*GP*CP*CP*GP*T)-3'), DNA (5'-D(P*AP*CP*GP*GP*CP*GP*T)-3'), ... | Authors: | Hou, M.H, Huang, H.T, Lin, S.M, Neidle, S. | Deposit date: | 2024-01-03 | Release date: | 2024-05-29 | Last modified: | 2024-08-28 | Method: | X-RAY DIFFRACTION (2 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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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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102D
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1KF1
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