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2I5A
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BU of 2i5a by Molmil
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
453D
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BU of 453d by Molmil
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
1EEL
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BU of 1eel by Molmil
STRUCTURE OF A COMPLEX BETWEEN THE DNA SEQUENCE DCGCGAATTCGCG AND BIS[PIPERIDINO-ETHYL]-FURAMIDINE
Descriptor: 2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-5-YLAMINO-1-AMINOMETHYL]-PHEN-1-YL]FURAN, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'
Authors:Neidle, S, Simpson, I.J.
Deposit date:2000-02-01
Release date:2000-02-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A thermodynamic and structural analysis of DNA minor-groove complex formation.
J.Mol.Biol., 300, 2000
1EM0
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BU of 1em0 by Molmil
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
2GVR
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BU of 2gvr by Molmil
Crystal structure of the berenil-D(CGCGAATTCGCG)2 complex at 1.65 A resolution.
Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BERENIL, MAGNESIUM ION
Authors:Lee, M.P.H, Parkinson, G.N, Neidle, S.
Deposit date:2006-05-03
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the berenil-D(CGCGAATTCGCG)2 complex at 1.65 A resolution.
To be Published
4WO2
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BU of 4wo2 by Molmil
CRYSTAL STRUCTURE OF HUMAN NATIVE CKIT PROTO-ONCOGENE PROMOTER QUADRUPLEX DNA
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, parkinson, g.n, neidle, s.
Deposit date:2014-10-15
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:CRYSTAL STRUCTURE OF HUMAN NATIVE CKIT-1 PROTO-ONCOGENE PROMOTER QUADRUPLEX DNA
TO BE PUBLISHED
4WO3
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BU of 4wo3 by Molmil
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
1PRP
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BU of 1prp by Molmil
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
3MIJ
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BU of 3mij by Molmil
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
2KQH
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BU of 2kqh by Molmil
A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics
Descriptor: 5'-D(*CP*GP*GP*GP*CP*GP*GP*GP*CP*GP*CP*GP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3', POTASSIUM ION
Authors:Hsu, S.-T.D, Varnai, P, Bugaut, A, Reszka, A.P, Neidle, S, Balasubramanian, S.
Deposit date:2009-11-05
Release date:2009-11-24
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics
J.Am.Chem.Soc., 131, 2009
2KQG
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BU of 2kqg by Molmil
A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics
Descriptor: 5'-D(*CP*GP*GP*GP*CP*GP*GP*GP*CP*AP*CP*GP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3', POTASSIUM ION
Authors:Hsu, S.-T.D, Varnai, P, Bugaut, A, Reszka, A.P, Neidle, S, Balasubramanian, S.
Deposit date:2009-11-05
Release date:2009-11-24
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics
J.Am.Chem.Soc., 131, 2009
3QCR
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BU of 3qcr by Molmil
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
1OOQ
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BU of 1ooq by Molmil
Nitroreductase from e-coli in complex with the inhibitor dicoumarol
Descriptor: BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase
Authors:Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S.
Deposit date:2003-03-04
Release date:2003-04-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form
J.Med.Chem., 46, 2003
109D
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BU of 109d by Molmil
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
166D
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BU of 166d by Molmil
DRUG-DNA MINOR GROOVE RECOGNITION: CRYSTAL STRUCTURE OF GAMMA-OXAPENTAMIDINE COMPLEXED WITH D(CGCGAATTCGCG)2
Descriptor: 1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTANE, 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:1994-03-17
Release date:1994-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of gamma-oxapentamidine complexed with d(CGCGAATTCGCG)2. The effects of drug structural change on DNA minor-groove recognition.
Eur.J.Biochem., 226, 1994
1QBG
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BU of 1qbg by Molmil
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
1D63
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BU of 1d63 by Molmil
CRYSTAL STRUCTURE OF A BERENIL-D(CGCAAATTTGCG) COMPLEX; AN EXAMPLE OF DRUG-DNA RECOGNITION BASED ON SEQUENCE-DEPENDENT STRUCTURAL FEATURES
Descriptor: BERENIL, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Brown, D.G, Sanderson, M.R, Garman, E, Neidle, S.
Deposit date:1992-03-02
Release date:1993-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a berenil-d(CGCAAATTTGCG) complex. An example of drug-DNA recognition based on sequence-dependent structural features.
J.Mol.Biol., 226, 1992
4H29
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BU of 4h29 by Molmil
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
4KWX
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BU of 4kwx by Molmil
Linear structure of the Holliday junction sequence (TCGGCGCCGA)
Descriptor: 5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3', MAGNESIUM ION
Authors:Skamrova, G, Laponogov, I, Campbell, N, Neidle, S.
Deposit date:2013-05-24
Release date:2014-11-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Linear structure of the Holliday junction sequence (TCGGCGCCGA)
To be Published
2O3M
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BU of 2o3m by Molmil
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
3OIE
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BU of 3oie by Molmil
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
1K8P
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BU of 1k8p by Molmil
Structure of the Human G-quadruplex reveals a novel topology
Descriptor: 5'-D(*(BRU)P*AP*GP*GP*GP*(BRU)P*TP*AP*GP*GP*GP*T)-3', POTASSIUM ION, SODIUM ION
Authors:Parkinson, G.N, Lee, M.P.H, Neidle, S.
Deposit date:2001-10-25
Release date:2002-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of parallel quadruplexes from human telomeric DNA.
Nature, 417, 2002
1KF1
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BU of 1kf1 by Molmil
Structure and Packing of Human Telomeric DNA
Descriptor: 5'-D(*AP*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:Parkinson, G.N, Lee, M.P.H, Neidle, S.
Deposit date:2001-11-19
Release date:2002-05-31
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of parallel quadruplexes from human telomeric DNA.
Nature, 417, 2002
3IBK
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BU of 3ibk by Molmil
Crystal structure of a telomeric RNA quadruplex
Descriptor: POTASSIUM ION, RNA (5'-R(*(5BU)P*AP*GP*GP*GP*UP*UP*AP*GP*GP*GP*U)-3')
Authors:Collie, G.W, Neidle, S, Parkinson, G.N.
Deposit date:2009-07-16
Release date:2010-05-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A crystallographic and modelling study of a human telomeric RNA (TERRA) quadruplex
Nucleic Acids Res., 38, 2010
102D
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BU of 102d by Molmil
SEQUENCE-DEPENDENT DRUG BINDING TO THE MINOR GROOVE OF DNA: THE CRYSTAL STRUCTURE OF THE DNA DODECAMER D(CGCAAATTTGCG)2 COMPLEXED WITH PROPAMIDINE
Descriptor: 1,3-BIS(AMIDINOPHENOXY)PROPANE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Authors:Nunn, C.M, Neidle, S.
Deposit date:1994-12-15
Release date:1995-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sequence-dependent drug binding to the minor groove of DNA: crystal structure of the DNA dodecamer d(CGCAAATTTGCG)2 complexed with propamidine.
J.Med.Chem., 38, 1995

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