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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
8SMJ
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BU of 8smj by Molmil
Chimeric ETS-domain of murine PU.1 harboring the corresponding beta-strand 3 (S3) residues from murine Ets-1 in complex with d(AATAAGCGGAATGGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), Transcription factor PU.1
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2023-04-26
Release date:2023-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors.
Structure, 32, 2024
8SMH
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BU of 8smh by Molmil
Chimeric ETS-domain of murine PU.1 harboring the corresponding beta-strand 3 (S3) residues from murine Ets-1 in complex with d(AATAAGCGGAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2023-04-26
Release date:2023-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors.
Structure, 32, 2024
8SP1
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BU of 8sp1 by Molmil
Chimeric ETS-domain of murine PU.1 harboring the corresponding beta-strand 3 (S3) residues from murine Ets-1 in complex with d(AATAAGCGIAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*IP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2023-05-01
Release date:2023-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors.
Structure, 32, 2024
3U05
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BU of 3u05 by Molmil
Crystal structure of DB1804-D(CGCGAATTCGCG)2 complex
Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1H-indole, MAGNESIUM ION
Authors:Wei, D.G, Neidle, S.
Deposit date:2011-09-28
Release date:2012-09-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Small-molecule binding to the DNA minor groove is mediated by a conserved water cluster.
J.Am.Chem.Soc., 135, 2013
8T9U
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BU of 8t9u by Molmil
Human PU.1 ETS-domain (165-270) in complex with d(AATAAGCGIAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*IP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2023-06-26
Release date:2023-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors.
Structure, 32, 2024
2LWG
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BU of 2lwg by Molmil
NMR Structure of the Self-Complementary 10 mer DNA Oligonucleotide 5'-GGATATATCC-3'.
Descriptor: DNA (5'-D(*GP*GP*AP*TP*AP*TP*AP*TP*CP*C)-3')
Authors:Rettig, M, Germann, M.W, Wilson, W, Wang, S.
Deposit date:2012-07-31
Release date:2013-01-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Molecular basis for sequence-dependent induced DNA bending.
Chembiochem, 14, 2013
2LWH
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BU of 2lwh by Molmil
NMR Structure of the Self-Complementary 10 mer DNA Duplex 5'-GGATATATCC-3' in Complex with Netropsin
Descriptor: DNA (5'-D(*GP*GP*AP*TP*AP*TP*AP*TP*CP*C)-3'), NETROPSIN
Authors:Rettig, M, Germann, M.W, Wilson, W, Wang, S.
Deposit date:2012-07-31
Release date:2013-01-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Molecular basis for sequence-dependent induced DNA bending.
Chembiochem, 14, 2013
7KWK
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BU of 7kwk by Molmil
DNA-DB1879 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB1879).
Descriptor: 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E, Fang, Z, Wilson, D.W.
Deposit date:2020-12-01
Release date:2021-12-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
2FJV
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BU of 2fjv by Molmil
RT29 Bound to D(CTTAATTCGAATTAAG) in complex with MMLV RT Catalytic Fragment
Descriptor: 2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE, 5'-D(*CP*TP*TP*AP*AP*TP*TP*C)-3', 5'-D(P*GP*AP*AP*TP*TP*AP*AP*G)-3', ...
Authors:Goodwin, K.D, Georgiadis, M.M.
Deposit date:2006-01-03
Release date:2006-06-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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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BU of 2fjx by Molmil
RT29 bound to D(CTTGAATGCATTCAAG) in complex with MMLV RT catalytic fragment
Descriptor: 2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE, 5'-D(*CP*TP*TP*GP*AP*AP*TP*G)-3', 5'-D(P*CP*AP*TP*TP*CP*AP*AP*G)-3', ...
Authors:Goodwin, K.D, Georgiadis, M.M.
Deposit date:2006-01-03
Release date:2006-06-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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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BU of 2fjw by Molmil
d(CTTGAATGCATTCAAG) in complex with MMLV RT catalytic fragment
Descriptor: 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
Authors:Goodwin, K.D, Georgiadis, M.M.
Deposit date:2006-01-03
Release date:2006-06-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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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BU of 2gyx by Molmil
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:2023-08-30
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
8EQG
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BU of 8eqg by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAA(DU)GGAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*DU*AP*AP*AP*TP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*AP*TP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-10-07
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EKV
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BU of 8ekv by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGATGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*TP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*AP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EM9
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BU of 8em9 by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAGGAGAAGTAGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*GP*GP*AP*GP*AP*AP*GP*TP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*TP*AP*CP*TP*TP*CP*TP*CP*CP*TP*A)-3'), Transcription factor PU.1
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-27
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8ENG
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BU of 8eng by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG) with Hemi-methylated CpG (forward strand)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*G*(5CM)P*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-29
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EK3
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BU of 8ek3 by Molmil
Human PU.1 ETS-Domain (165-270) Q226E Mutant Bound to d(AATAAGCGGAATGGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-19
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EKZ
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BU of 8ekz by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGGAGAAGTAGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*GP*AP*GP*AP*AP*GP*TP*AP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*TP*AP*CP*TP*TP*CP*TP*CP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EMD
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BU of 8emd by Molmil
Human PU.1 ETS-Domain (165-270) Q226E Mutant Bound to d(AATAAGCGGAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-27
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EE9
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BU of 8ee9 by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGGAATGGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*AP*AP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*TP*TP*CP*CP*TP*TP*TP*TP*AP*T)-3'), Transcription factor PU.1
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-06
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EO4
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BU of 8eo4 by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG) with Di-methylated CpG sites
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-10-02
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EJ8
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BU of 8ej8 by Molmil
Human PU.1 ETS-Domain (165-270) Q226E Mutant Bound to d(AATAAAAGGAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*AP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*TP*TP*TP*AP*T)-3'), GLYCEROL, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-16
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EK8
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BU of 8ek8 by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGGAGAAGGG)
Descriptor: DNA (5'-D(*AP*TP*AP*AP*AP*AP*GP*GP*AP*GP*AP*AP*GP*GP*G)-3'), DNA (5'-D(P*CP*CP*CP*TP*TP*CP*TP*CP*CP*TP*TP*TP*TP*AP*T)-3'), Transcription factor PU.1
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-20
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EQK
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BU of 8eqk by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAACCGGAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-10-07
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023

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