Author results

2I5A
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CRYSTAL STRUCTURE OF A DB1055-D(CGCGAATTCGCG)2 COMPLEX
Descriptor:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, 2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
Authors:Neidle, S., Lee, M.P.H.
Deposit date:2006-08-24
Release date:2008-04-08
Last modified:2019-07-24
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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5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-BENZIMIDAZOLE COMPLEX
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 4-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE-5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY-BENZENE]
Authors:Neidle, S.
Deposit date:1999-02-18
Release date:2000-05-15
Last modified:2011-07-13
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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STRUCTURE OF A COMPLEX BETWEEN THE DNA SEQUENCE DCGCGAATTCGCG AND BIS[PIPERIDINO-ETHYL]-FURAMIDINE
Descriptor:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-5-YLAMINO-1-AMINOMETHYL]-PHEN-1-YL]FURAN
Authors:Neidle, S., Simpson, I.J.
Deposit date:2000-02-01
Release date:2000-02-09
Last modified:2017-10-04
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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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:2011-07-13
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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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:2019-07-24
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
2KQG
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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
2KQH
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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
109D
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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:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE, 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:2011-07-13
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
1D63
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CRYSTAL STRUCTURE OF A BERENIL-D(CGCAAATTTGCG) COMPLEX; AN EXAMPLE OF DRUG-DNA RECOGNITION BASED ON SEQUENCE-DEPENDENT STRUCTURAL FEATURES
Descriptor:DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION, BERENIL
Authors:Brown, D.G., Sanderson, M.R., Garman, E., Neidle, S.
Deposit date:1992-03-02
Release date:1993-01-15
Last modified:2011-07-13
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
1K8P
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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:2019-07-24
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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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:2019-07-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of parallel quadruplexes from human telomeric DNA.
Nature, 417, 2002
227D
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A CRYSTALLOGRAPHIC AND SPECTROSCOPIC STUDY OF THE COMPLEX BETWEEN D(CGCGAATTCGCG)2 AND 2,5-BIS(4-GUANYLPHENYL)FURAN, AN ANALOGUE OF BERENIL. STRUCTURAL ORIGINS OF ENHANCED DNA-BINDING AFFINITY
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2,5-BIS(4-GUANYLPHENYL)FURAN
Authors:Laughton, C.A., Tanious, F., Nunn, C.M., Boykin, D.W., Wilson, W.D., Neidle, S.
Deposit date:1995-08-08
Release date:1995-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A crystallographic and spectroscopic study of the complex between d(CGCGAATTCGCG)2 and 2,5-bis(4-guanylphenyl)furan, an analogue of berenil. Structural origins of enhanced DNA-binding affinity.
Biochemistry, 35, 1996
232D
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THE HIGH RESOLUTION CRYSTAL STRUCTURE OF THE DNA DECAMER D(AGGCATGCCT)
Descriptor:DNA (5'-D(*AP*GP*GP*CP*AP*TP*GP*CP*CP*T)-3'), COBALT HEXAMMINE(III)
Authors:Nunn, C.M., Neidle, S.
Deposit date:1995-09-05
Release date:1996-03-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The high resolution crystal structure of the DNA decamer d(AGGCATGCCT).
J.Mol.Biol., 256, 1996
263D
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ISOHELICITY AND PHASING IN DRUG-DNA SEQUENCE RECOGNITION: CRYSTAL STRUCTURE OF A TRIS(BENZIMIDAZOLE)-OLIGONUCLEOTIDE COMPLEX
Descriptor:DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE
Authors:Clark, G.R., Gray, E.J., Neidle, S., Li, Y.-H., Leupin, W.
Deposit date:1996-09-27
Release date:1996-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Isohelicity and phasing in drug--DNA sequence recognition: crystal structure of a tris(benzimidazole)--oligonucleotide complex.
Biochemistry, 35, 1996
289D
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TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2
Descriptor:DNA (5'-R(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN
Authors:Trent, J.O., Clark, G.R., Kumar, A., Wilson, W.D., Boykin, D.W., Hall, J.E., Tidwell, R.R., Blagburn, B.L., Neidle, S.
Deposit date:1996-10-10
Release date:1996-12-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2.
J.Med.Chem., 39, 1996
298D
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TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN
Authors:Trent, J.O., Clark, G.R., Kumar, A., Wilson, W.D., Boykin, D.W., Hall, J.E., Tidwell, R.R., Blagburn, B.L., Neidle, S.
Deposit date:1996-10-10
Release date:1996-12-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2.
J.Med.Chem., 39, 1996
1VZK
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A THIOPHENE BASED DIAMIDINE FORMS A "SUPER" AT BINDING MINOR GROOVE AGENT
Descriptor:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP *CP*G)-3', 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, 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:2019-05-22
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
2GWE
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CRYSTAL STRUCTURE OF D(G4T4G4) WITH SIX QUADRUPLEXES IN THE ASYMMETRIC UNIT.
Descriptor:5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
Authors:Lee, M.P.H., Haider, S., Parkinson, G.N., Neidle, S.
Deposit date:2006-05-04
Release date:2007-06-19
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of D(G4T4G4) with four and six quadruplexes in the asymmetric unit.
To be Published
2O3M
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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:2011-07-13
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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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:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the DB1880-D(CGCGAATTCGCG)2 complex
To be Published
1JPQ
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CRYSTAL STRUCTURE OF THE OXYTRICHA TELOMERIC DNA AT 1.6A
Descriptor:5'-D(*GP*GP*GP*GP*(BRU)P*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
Authors:Haider, S.M., Parkinson, G., Neidle, S.
Deposit date:2001-08-03
Release date:2002-06-28
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the potassium form of an Oxytricha nova G-quadruplex.
J.Mol.Biol., 320, 2002
1JRN
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ORTHORHOMBIC FORM OF OXYTRICHA TELOMERIC DNA AT 2.0A
Descriptor:5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
Authors:Haider, S.M., Parkinson, G., Neidle, S.
Deposit date:2001-08-14
Release date:2002-06-28
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the potassium form of an Oxytricha nova G-quadruplex.
J.Mol.Biol., 320, 2002
2GWQ
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CRYSTAL STRUCTURE OF D(G4T4G4) WITH FOUR QUADRUPLEXES IN THE ASYMMETRIC UNIT.
Descriptor:5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
Authors:Lee, M.P.H., Parkinson, G.N., Neidle, S.
Deposit date:2006-05-05
Release date:2007-06-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of D(G4T4G4) with four and six quadruplexes in the asymmetric unit.
To be Published
3MIJ
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CRYSTAL STRUCTURE OF A TELOMERIC RNA G-QUADRUPLEX COMPLEXED WITH AN ACRIDINE-BASED LIGAND.
Descriptor:RNA (5'-R(*UP*AP*GP*GP*GP*UP*UP*AP*GP*GP*GP*U)-3'), POTASSIUM ION, N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide]
Authors:Collie, G.W., Neidle, S., Parkinson, G.N.
Deposit date:2010-04-10
Release date:2011-02-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of telomeric RNA quadruplex-acridine ligand recognition.
J.Am.Chem.Soc., 133, 2011
3QCR
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INCOMPLETE STRUCTURAL MODEL OF A HUMAN TELOMERIC DNA QUADRUPLEX-ACRIDINE COMPLEX.
Descriptor:Human telomeric repeat deoxyribonucleic acid, POTASSIUM ION, N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide]
Authors:Collie, G.W., Neidle, S., Parkinson, G.N.
Deposit date:2011-01-17
Release date:2011-02-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of telomeric RNA quadruplex-acridine ligand recognition.
J.Am.Chem.Soc., 133, 2011