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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
分子名称:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2,5-BIS(4-GUANYLPHENYL)FURAN
著者Laughton, C.A., Tanious, F., Nunn, C.M., Boykin, D.W., Wilson, W.D., Neidle, S.
登録日1995-08-08
公開日1995-11-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
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
分子名称:DNA (5'-R(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN
著者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.
登録日1996-10-10
公開日1996-12-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: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
著者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.
登録日1996-10-10
公開日1996-12-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
1M6F
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STRONG BINDING IN THE DNA MINOR GROOVE BY AN AROMATIC DIAMIDINE WITH A SHAPE THAT DOES NOT MATCH THE CURVATURE OF THE GROOVE
分子名称:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM
著者Nguyen, B., Lee, M.P.H., Hamelberg, D., Joubert, A., Bailly, C., Brun, R., Neidle, S., Wilson, W.D.
登録日2002-07-16
公開日2002-11-15
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献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
1VZK
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A THIOPHENE BASED DIAMIDINE FORMS A "SUPER" AT BINDING MINOR GROOVE AGENT
分子名称: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
著者Mallena, S., Lee, M.P.H., Bailly, C., Neidle, S., Kumar, A., Boykin, D.W., Wilson, W.D.
登録日2004-05-20
公開日2004-10-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Thiophene-Based Diamidine Forms a "Super" at Binding Minor Groove Agent
J.Am.Chem.Soc., 142, 2004
295D
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CRYSTAL AND SOLUTION STRUCTURES OF THE OLIGONUCLEOTIDE D(ATGCGCAT)2: A COMBINED X-RAY AND NMR STUDY
分子名称:DNA (5'-D(*AP*TP*GP*CP*GP*CP*AP*T)-3')
著者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.
登録日1991-05-28
公開日1996-12-04
最終更新日2012-02-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal and solution structures of the oligonucleotide d(ATGCGCAT)2: a combined X-ray and NMR study.
Nucleic Acids Res., 18, 1990
2B0K
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CRYSTAL STRUCTURE OF THE DB921-D(CGCGAATTCGCG)2 COMPLEX.
分子名称:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, 2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-AMIDINE
著者Miao, Y., Lee, M.P., Parkinson, G.N., Batista-Parra, A., Ismail, M.A., Neidle, S., Boykin, D.W., Wilson, W.D.
登録日2005-09-14
公開日2005-11-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Out-of-Shape DNA Minor Groove Binders: Induced Fit Interactions of Heterocyclic Dications with the DNA Minor Groove.
Biochemistry, 44, 2005
6AST
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NMR AND RESTRAINED MOLECULAR DYNAMICS DETERMINATION OF THE STRUCTURE OF AN AZA-BENZIMIDAZOLE DERIVATIVE COMPLEX WITH THE DNA MINOR GROOVE OF AN -AAGATA SEQUENCE
分子名称:DNA (5'-D(*CP*CP*AP*AP*GP*AP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*TP*CP*TP*TP*GP*G)-3'), amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3H-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium
著者Harika, N.K., Germann, M.W., Wilson, W.D.
登録日2017-08-25
公開日2018-01-31
実験手法SOLUTION NMR
主引用文献First Structure of a Designed Minor Groove Binding Heterocyclic Cation that Specifically Recognizes Mixed DNA Base Pair Sequences.
Chemistry, 23, 2017
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
分子名称: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
著者Czarny, A., Boykin, D.W., Wood, A.A., Nunn, C.M., Neidle, S., Zhao, M., Wilson, W.D.
登録日1995-02-15
公開日1995-05-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
2LWG
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NMR STRUCTURE OF THE SELF-COMPLEMENTARY 10 MER DNA OLIGONUCLEOTIDE 5'-GGATATATCC-3'.
分子名称:DNA (5'-D(*GP*GP*AP*TP*AP*TP*AP*TP*CP*C)-3')
著者Rettig, M., Germann, M.W., Wilson, W., Wang, S.
登録日2012-07-31
公開日2013-01-23
最終更新日2013-02-20
実験手法SOLUTION NMR
主引用文献Molecular basis for sequence-dependent induced DNA bending.
Chembiochem, 14, 2013
2LWH
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NMR STRUCTURE OF THE SELF-COMPLEMENTARY 10 MER DNA DUPLEX 5'-GGATATATCC-3' IN COMPLEX WITH NETROPSIN
分子名称:DNA (5'-D(*GP*GP*AP*TP*AP*TP*AP*TP*CP*C)-3'), NETROPSIN
著者Rettig, M., Germann, M.W., Wilson, W., Wang, S.
登録日2012-07-31
公開日2013-01-23
最終更新日2017-07-26
実験手法SOLUTION NMR
主引用文献Molecular basis for sequence-dependent induced DNA bending.
Chembiochem, 14, 2013
1EEL
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STRUCTURE OF A COMPLEX BETWEEN THE DNA SEQUENCE DCGCGAATTCGCG AND BIS[PIPERIDINO-ETHYL]-FURAMIDINE
分子名称: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
著者Neidle, S., Simpson, I.J.
登録日2000-02-01
公開日2000-02-09
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A thermodynamic and structural analysis of DNA minor-groove complex formation.
J.Mol.Biol., 300, 2000
2FJV
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RT29 BOUND TO D(CTTAATTCGAATTAAG) IN COMPLEX WITH MMLV RT CATALYTIC FRAGMENT
分子名称:5'-D(*CP*TP*TP*AP*AP*TP*TP*C)-3', 5'-D(P*GP*AP*AP*TP*TP*AP*AP*G)-3', Reverse transcriptase, ...
著者Goodwin, K.D., Georgiadis, M.M.
登録日2006-01-03
公開日2006-06-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A High-Throughput, High-Resolution Strategy for the Study of Site-Selective DNA Binding Agents: Analysis of a "Highly Twisted" Benzimidazole-Diamidine.
J.Am.Chem.Soc., 128, 2006
2FJW
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D(CTTGAATGCATTCAAG) IN COMPLEX WITH MMLV RT CATALYTIC FRAGMENT
分子名称:5'-D(*CP*TP*TP*GP*AP*AP*TP*G)-3', 5'-D(P*CP*AP*TP*TP*CP*AP*AP*G)-3', Reverse transcriptase
著者Goodwin, K.D., Georgiadis, M.M.
登録日2006-01-03
公開日2006-06-27
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A High-Throughput, High-Resolution Strategy for the Study of Site-Selective DNA Binding Agents: Analysis of a "Highly Twisted" Benzimidazole-Diamidine.
J.Am.Chem.Soc., 128, 2006
2FJX
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RT29 BOUND TO D(CTTGAATGCATTCAAG) IN COMPLEX WITH MMLV RT CATALYTIC FRAGMENT
分子名称:5'-D(*CP*TP*TP*GP*AP*AP*TP*G)-3', 5'-D(P*CP*AP*TP*TP*CP*AP*AP*G)-3', Reverse transcriptase, ...
著者Goodwin, K.D., Georgiadis, M.M.
登録日2006-01-03
公開日2006-06-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A High-Throughput, High-Resolution Strategy for the Study of Site-Selective DNA Binding Agents: Analysis of a "Highly Twisted" Benzimidazole-Diamidine.
J.Am.Chem.Soc., 128, 2006
2GYX
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CRYSTAL STRUCTURE OF DB884- D(CGCGAATTCGCG)2 COMPLEX AT 1.86 A RESOLUTION.
分子名称:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-PHENYLENE)DIBENZENECARBOXIMIDAMIDE
著者Lee, M.P.H., Neidle, S.
登録日2006-05-10
公開日2007-05-22
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Induced fit conformational changes of a "reversed amidine" heterocycle: optimized interactions in a DNA minor groove complex.
J.Am.Chem.Soc., 129, 2007
3FSI
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CRYSTAL STRUCTURE OF A TRYPANOCIDAL 4,4'-BIS(IMIDAZOLINYLAMINO)DIPHENYLAMINE BOUND TO DNA
分子名称:Reverse transcriptase domain, 5'-D(*CP*TP*TP*AP*AP*TP*TP*C)-3', 5'-D(P*GP*AP*AP*TP*TP*AP*AP*G)-3', ...
著者Glass, L.S., Georgiadis, M.M., Goodwin, K.D.
登録日2009-01-09
公開日2009-05-19
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of a trypanocidal 4,4'-bis(imidazolinylamino)diphenylamine bound to DNA.
Biochemistry, 48, 2009
3U05
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CRYSTAL STRUCTURE OF DB1804-D(CGCGAATTCGCG)2 COMPLEX
分子名称:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1H-indole
著者Wei, D.G., Neidle, S.
登録日2011-09-28
公開日2012-09-12
最終更新日2014-01-08
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Small-molecule binding to the DNA minor groove is mediated by a conserved water cluster.
J.Am.Chem.Soc., 135, 2013
3U08
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CRYSTAL STRUCTURE OF DB1963-D(CGCGAATTCGCG)2 COMPLEX AT 1.25 A RESOLUTION
分子名称:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 4'-(5-carbamimidoyl-1H-benzimidazol-2-yl)biphenyl-4-carboxamide, MAGNESIUM ION
著者Wei, D.G., Neidle, S.
登録日2011-09-28
公開日2012-09-12
最終更新日2014-01-08
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Small-molecule binding to the DNA minor groove is mediated by a conserved water cluster.
J.Am.Chem.Soc., 135, 2013
3U0U
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CRYSTAL STRUCTURE OF THE DB1883-D(CGCGAATTCGCG)2 COMPLEX AT 1.24 A RESOLUTION
分子名称:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 2-(4'-carbamimidoylbiphenyl-4-yl)-1H-indole-6-carboximidamide, MAGNESIUM ION
著者Wei, D.G., Neidle, S.
登録日2011-09-29
公開日2012-09-12
最終更新日2014-01-08
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Small-molecule binding to the DNA minor groove is mediated by a conserved water cluster.
J.Am.Chem.Soc., 135, 2013
3U2N
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CRYSTAL STRUCTURE OF DNA(CGCGAATTCGCG)2 AT 1.25 ANGSTROMS
分子名称:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION
著者Wei, D.G., Neidle, S.
登録日2011-10-04
公開日2013-04-17
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Small-molecule binding to the DNA minor groove is mediated by a conserved water cluster.
J.Am.Chem.Soc., 135, 2013
6ASF
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NMR AND RESTRAINED MOLECULAR DYNAMICS DETERMINATION OF THE STRUCTURE OF AN AZA-BENZIMIDAZOLE DERIVATIVE COMPLEX WITH THE DNA MINOR GROOVE OF AN -AAGATA- SEQUENCE
分子名称:DNA (5'-D(*CP*CP*AP*AP*GP*AP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*TP*CP*TP*TP*GP*G)-3')
著者Harika, N.K., Germann, M.W., Boykin, D.W.
登録日2017-08-24
公開日2018-01-31
実験手法SOLUTION NMR
主引用文献First Structure of a Designed Minor Groove Binding Heterocyclic Cation that Specifically Recognizes Mixed DNA Base Pair Sequences.
Chemistry, 23, 2017