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1O0K
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STRUCTURE OF THE FIRST PARALLEL DNA QUADRUPLEX-DRUG COMPLEX
Descriptor:5'-D(*TP*GP*GP*GP*GP*T)-3', SODIUM ION, DAUNOMYCIN
Authors:Clark, G.R., Pytel, P.D., Squire, C.J., Neidle, S.
Deposit date:2003-02-22
Release date:2003-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Structure of the First Parallel DNA Quadruplex-drug Complex
J.Am.Chem.Soc., 125, 2003
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
295D
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CRYSTAL AND SOLUTION STRUCTURES OF THE OLIGONUCLEOTIDE D(ATGCGCAT)2: A COMBINED X-RAY AND NMR STUDY
Descriptor:DNA (5'-D(*AP*TP*GP*CP*GP*CP*AP*T)-3')
Authors:Clark, G.R., Brown, D.G., Sanderson, M.R., Chwalinski, T., Neidle, S., Veal, J.M., Jones, R.L., Wilson, W.D., Zon, G., Garman, E., Stuart, D.I.
Deposit date:1991-05-28
Release date:1996-12-04
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal and solution structures of the oligonucleotide d(ATGCGCAT)2: a combined X-ray and NMR study.
Nucleic Acids Res., 18, 1990
302D
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META-HYDROXY ANALOGUE OF HOECHST 33258 ('HYDROXYL IN' CONFORMATION) BOUND TO D(CGCGAATTCGCG)2
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-BENZIMIDAZOL-2-YL]-PHENOL, 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:2011-07-13
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
303D
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META-HYDROXY ANALOGUE OF HOECHST 33258 ('HYDROXYL OUT' CONFORMATION) BOUND TO D(CGCGAATTCGCG)2
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-BENZIMIDAZOL-2-YL]-PHENOL, 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:2011-07-13
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
311D
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THE ROLE OF HYDROGEN BONDING IN MINOR-GROOVE DRUG-DNA RECOGNITION. STRUCTURE OF A BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258 COMPLEXED TO THE DODECANUCLEOTIDE D(CGCGAATTCGCG)2
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 5-AMIDINO-2-[2-(4-AMIDINOPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE
Authors:Clark, G.R., Boykin, D.W., Czarny, A., Neidle, S.
Deposit date:1997-02-04
Release date:1997-02-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a bis-amidinium derivative of hoechst 33258 complexed to dodecanucleotide d(CGCGAATTCGCG)2: the role of hydrogen bonding in minor groove drug-DNA recognition.
Nucleic Acids Res., 25, 1997
3TVB
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A HIGHLY SYMMETRIC DNA G-4 QUADRUPLEX/DRUG COMPLEX
Descriptor:DNA (5'-D(*GP*GP*GP*G)-3'), DAUNOMYCIN, SODIUM ION, ...
Authors:Clark, G.R., Pytel, P.D., Squire, C.J.
Deposit date:2011-09-19
Release date:2012-03-14
Last modified:2012-07-11
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:The high-resolution crystal structure of a parallel intermolecular DNA G-4 quadruplex/drug complex employing syn glycosyl linkages.
Nucleic Acids Res., 40, 2012
5DAM
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CRYSTAL STRUCTURE OF P-IODOHOECHST BOUND TO D(CGCAAATTTGCG)
Descriptor:DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), p-iodo Hoechst, MAGNESIUM ION
Authors:Clark, G.R.
Deposit date:2015-08-20
Release date:2016-03-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of p-iodoHoechst bound to d(CGCAAATTTGCG)
Int J Radiat Biol., 2016
442D
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5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, MAGNESIUM ION
Authors:Clark, G.R., Squire, C.J., Martin, R.F., White, J.
Deposit date:1999-01-14
Release date:2000-02-02
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
444D
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5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Authors:Clark, G.R., Squire, C.J., Martin, R.F., White, J.
Deposit date:1999-01-14
Release date:2000-02-02
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
448D
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5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Authors:Clark, G.R., Squire, C.J., Martin, R.F., White, J.
Deposit date:1999-01-20
Release date:2000-02-02
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
443D
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5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'/ BENZIMIDAZOLE DERIVATIVE COMPLEX
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, MAGNESIUM ION
Authors:Squire, C.J., Baker, L.J., Clark, G.R., Martin, R.F., White, J.
Deposit date:1999-01-14
Release date:2000-02-02
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
445D
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5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Authors:Squire, C.J., Baker, L.J., Clark, G.R., Martin, R.F., White, J.
Deposit date:1999-01-14
Release date:2000-02-02
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
447D
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5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2'-(4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Authors:Squire, C.J., Baker, L.J., Clark, G.R., Martin, R.F., White, J.
Deposit date:1999-01-18
Release date:2000-03-06
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
449D
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5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Authors:Squire, C.J., Baker, L.J., Clark, G.R., Martin, R.F., White, J.
Deposit date:1999-01-20
Release date:2000-02-02
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
1QV4
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B-DNA DODECAMER CGTGAATTCACG COMPLEXED WITH MINOR GROOVE BINDER METHYLPROAMINE
Descriptor:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Authors:Squire, C.J., Clark, G.R.
Deposit date:2003-08-26
Release date:2004-09-07
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:In vitro studies with methylproamine: a potent new radioprotector.
Cancer Res., 64, 2004
1QV8
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B-DNA DODECAMER D(CGCGAATTCGCG)2 COMPLEXED WITH PROAMINE
Descriptor:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 2'-(4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Authors:Squire, C.J., Clark, G.R.
Deposit date:2003-08-27
Release date:2004-09-07
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:In vitro studies with methylproamine: a potent new radioprotector.
Cancer Res., 64, 2004
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
328D
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STRUCTURE OF A D(CGCGAATTCGCG)2-SN7167 COMPLEX
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-N-METHYLPYRIDINIUM MESYLATE
Authors:Squire, C.J., Clark, G.R., Denny, W.A.
Deposit date:1997-04-15
Release date:1997-04-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Minor groove binding of a bis-quaternary ammonium compound: the crystal structure of SN 7167 bound to d(CGCGAATTCGCG)2.
Nucleic Acids Res., 25, 1997