Author results

109D
  • Download 109d
  • View 109d
Molmil generated image of 109d
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
227D
  • Download 227d
  • View 227d
Molmil generated image of 227d
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
289D
  • Download 289d
  • View 289d
Molmil generated image of 289d
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
  • Download 298d
  • View 298d
Molmil generated image of 298d
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
1FMQ
  • Download 1fmq
  • View 1fmq
Molmil generated image of 1fmq
CYCLO-BUTYL-BIS-FURAMIDINE COMPLEXED WITH DCGCGAATTCGCG
Descriptor:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, 2,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURAN
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:2017-10-04
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
1FMS
  • Download 1fms
  • View 1fms
Molmil generated image of 1fms
STRUCTURE OF COMPLEX BETWEEN CYCLOHEXYL-BIS-FURAMIDINE AND D(CGCGAATTCGCG)
Descriptor:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, 2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURAN
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:2017-10-04
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
1VZK
  • Download 1vzk
  • View 1vzk
Molmil generated image of 1vzk
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:2011-07-13
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
2B0K
  • Download 2b0k
  • View 2b0k
Molmil generated image of 2b0k
CRYSTAL STRUCTURE OF THE DB921-D(CGCGAATTCGCG)2 COMPLEX.
Descriptor: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
Authors:Miao, Y., Lee, M.P., Parkinson, G.N., Batista-Parra, A., Ismail, M.A., Neidle, S., Boykin, D.W., Wilson, W.D.
Deposit date:2005-09-14
Release date:2005-11-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Out-of-Shape DNA Minor Groove Binders: Induced Fit Interactions of Heterocyclic Dications with the DNA Minor Groove.
Biochemistry, 44, 2005
311D
  • Download 311d
  • View 311d
Molmil generated image of 311d
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
1EEL
  • Download 1eel
  • View 1eel
Molmil generated image of 1eel
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
2GYX
  • Download 2gyx
  • View 2gyx
Molmil generated image of 2gyx
CRYSTAL STRUCTURE OF DB884- D(CGCGAATTCGCG)2 COMPLEX AT 1.86 A RESOLUTION.
Descriptor: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
Authors:Lee, M.P.H., Neidle, S.
Deposit date:2006-05-10
Release date:2007-05-22
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Induced fit conformational changes of a "reversed amidine" heterocycle: optimized interactions in a DNA minor groove complex.
J.Am.Chem.Soc., 129, 2007
6ASF
  • Download 6asf
  • View 6asf
Molmil generated image of 6asf
NMR AND RESTRAINED MOLECULAR DYNAMICS DETERMINATION OF THE STRUCTURE OF AN AZA-BENZIMIDAZOLE DERIVATIVE COMPLEX WITH THE DNA MINOR GROOVE OF AN -AAGATA- SEQUENCE
Descriptor: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')
Authors:Harika, N.K., Germann, M.W., Boykin, D.W.
Deposit date:2017-08-24
Release date:2018-01-31
Method:SOLUTION NMR
Cite:First Structure of a Designed Minor Groove Binding Heterocyclic Cation that Specifically Recognizes Mixed DNA Base Pair Sequences.
Chemistry, 23, 2017