1EEL
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453D
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![BU of 453d by Molmil](/molmil-images/mine/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
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![BU of 2i5a by Molmil](/molmil-images/mine/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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1EM0
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![BU of 1em0 by Molmil](/molmil-images/mine/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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1VZK
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![BU of 1vzk by Molmil](/molmil-images/mine/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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3MIJ
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![BU of 3mij by Molmil](/molmil-images/mine/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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2GW0
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![BU of 2gw0 by Molmil](/molmil-images/mine/2gw0) | A D(TGGGGT)- sodium and calcium complex. | Descriptor: | 5'-D(*TP*GP*GP*GP*GP*T)-3', CALCIUM ION, SODIUM ION | Authors: | Lee, M.P.H, Parkinson, G.N, Neidle, S. | Deposit date: | 2006-05-03 | Release date: | 2007-05-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Observation of the coexistence of sodium and calcium ions in a DNA G-quadruplex ion channel. J.Am.Chem.Soc., 129, 2007
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4WO2
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4KWX
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4WO3
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![BU of 4wo3 by Molmil](/molmil-images/mine/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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1FTD
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![BU of 1ftd by Molmil](/molmil-images/mine/1ftd) | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-SYMMETRIC BIS-BENZIMIDAZOLE COMPLEX | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, [3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-2-YL}-PHENOXY)-PROPYL]-DIMETHYL-AMINE | Authors: | Mann, J, Baron, A, Opoku-Boahen, Y, Johansson, E, Parkinson, G, Kelland, L.R, Neidle, S. | Deposit date: | 2000-09-12 | Release date: | 2001-02-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new class of symmetric bisbenzimidazole-based DNA minor groove-binding agents showing antitumor activity. J.Med.Chem., 44, 2001
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1FMS
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![BU of 1fms by Molmil](/molmil-images/mine/1fms) | Structure of complex between cyclohexyl-bis-furamidine and d(CGCGAATTCGCG) | Descriptor: | 2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURAN, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | Authors: | Simpson, I.J, Lee, M, Kumar, A, Boykin, D.W, Neidle, S. | Deposit date: | 2000-08-18 | Release date: | 2000-09-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | DNA minor groove interactions and the biological activity of 2,5-bis-[4-(N-alkylamidino)phenyl] furans Bioorg.Med.Chem.Lett., 10, 2000
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2NLM
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2O3M
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![BU of 2o3m by Molmil](/molmil-images/mine/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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4DA3
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![BU of 4da3 by Molmil](/molmil-images/mine/4da3) | Crystal structure of an intramolecular human telomeric DNA G-quadruplex 21-mer bound by the naphthalene diimide compound MM41. | Descriptor: | 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, DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION | Authors: | Collie, G.W, Neidle, S. | Deposit date: | 2012-01-12 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design and evaluation of naphthalene diimide g-quadruplex ligands as telomere targeting agents in pancreatic cancer cells. J.Med.Chem., 56, 2013
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4DAQ
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![BU of 4daq by Molmil](/molmil-images/mine/4daq) | Crystal structure of an intramolecular human telomeric DNA G-quadruplex 21-mer bound by the naphthalene diimide compound BMSG-SH-3 | Descriptor: | 2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION | Authors: | Collie, G.W, Neidle, S. | Deposit date: | 2012-01-13 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.754 Å) | Cite: | Structure-based design and evaluation of naphthalene diimide g-quadruplex ligands as telomere targeting agents in pancreatic cancer cells. J.Med.Chem., 56, 2013
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1FMQ
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![BU of 1fmq by Molmil](/molmil-images/mine/1fmq) | Cyclo-butyl-bis-furamidine complexed with dCGCGAATTCGCG | Descriptor: | 2,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURAN, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | Authors: | Simpson, I.J, Lee, M, Kumar, A, Boykin, D.W, Neidle, S. | Deposit date: | 2000-08-18 | Release date: | 2000-09-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DNA minor groove interactions and the biological activity of 2,5-bis-[4-(N-alkylamidino)phenyl] furans Bioorg.Med.Chem.Lett., 10, 2000
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3IBK
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3QCR
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![BU of 3qcr by Molmil](/molmil-images/mine/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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4H29
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![BU of 4h29 by Molmil](/molmil-images/mine/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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459D
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![BU of 459d by Molmil](/molmil-images/mine/459d) | DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG | Descriptor: | 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*(CBR)P*AP*TP*AP*TP*TP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*AP*TP*GP*CP*G)-3') | Authors: | Aymami, J, Nunn, C.M, Neidle, S. | Deposit date: | 1999-03-10 | Release date: | 1999-06-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | DNA minor groove recognition of a non-self-complementary AT-rich sequence by a tris-benzimidazole ligand. Nucleic Acids Res., 27, 1999
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1QBG
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![BU of 1qbg by Molmil](/molmil-images/mine/1qbg) | CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | Authors: | Skelly, J.V, Sanderson, M.R, Suter, D.A, Baumann, U, Gregory, D.S, Bennett, M, Hobbs, S.M, Neidle, S. | Deposit date: | 1999-04-20 | Release date: | 2000-04-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of human DT-diaphorase: a model for interaction with the cytotoxic prodrug 5-(aziridin-1-yl)-2,4-dinitrobenzamide (CB1954). J.Med.Chem., 42, 1999
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1PRP
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![BU of 1prp by Molmil](/molmil-images/mine/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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1KF1
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![BU of 1kf1 by Molmil](/molmil-images/mine/1kf1) | |
3OIE
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![BU of 3oie by Molmil](/molmil-images/mine/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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