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8EDA
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BU of 8eda by Molmil
An alternating AT dodecamer benzimidazole (DB1476) complex
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-09-03
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8EC1
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BU of 8ec1 by Molmil
5'-CGCGAATTCGCG-3' and benzimidazole diamidine (DB1476) comlpex with ligand orientation I
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-08-31
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8EDB
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BU of 8edb by Molmil
5'-CGCGAATTCGCG-3' and an AT-specific binder (DB1884) complex
Descriptor: 4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-09-03
Release date:2023-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8FDP
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BU of 8fdp by Molmil
The native structure of a dodecamer: 5'-CGCAAATTTGCG-3
Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Authors:Ogbonna, E, Wilson, W.D.
Deposit date:2022-12-04
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8F2W
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BU of 8f2w by Molmil
Structure of a B-Form Dodecamer: 5'-CGCGAATTCGCG-3
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-08
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8F94
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BU of 8f94 by Molmil
Structure of an alternating AT 16-mer: 5'-GCTGGATATATCCAGC-3
Descriptor: CALCIUM ION, DNA 16-mer
Authors:Terrell, J.R, Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-23
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8F2Y
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BU of 8f2y by Molmil
Structure of an alternating AT dodecamer: 5'-CGCGATATCGCG-3
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-09
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8FDQ
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BU of 8fdq by Molmil
An AT-specific DNA 5-CGCAAATTTCGC-3' with benzimidazole (DB1476) complex
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogboona, E.N, Wilson, W.D.
Deposit date:2022-12-04
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8F20
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BU of 8f20 by Molmil
Structure of an A-tract B-DNA Dodecamer: 5'-CGCAAAAAAGCG-3
Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*TP*TP*TP*TP*GP*CP*G)-3')
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-06
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8FB4
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BU of 8fb4 by Molmil
Structure of an alternating AT 16-mer bound by diamidine DB1476: 5'-GCTGGATATATCCAGC-3
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*TP*AP*TP*AP*TP*CP*CP*AP*GP*C)-3')
Authors:Terrell, J.R, Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-29
Release date:2023-02-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
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
1M6F
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BU of 1m6f by Molmil
Strong Binding in the DNA Minor Groove by an Aromatic Diamidine With a Shape That Does Not Match the Curvature of the Groove
Descriptor: 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Nguyen, B, Lee, M.P.H, Hamelberg, D, Joubert, A, Bailly, C, Brun, R, Neidle, S, Wilson, W.D.
Deposit date:2002-07-16
Release date:2002-11-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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
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
3FSI
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BU of 3fsi by Molmil
Crystal structure of a trypanocidal 4,4'-Bis(imidazolinylamino)diphenylamine bound to DNA
Descriptor: 5'-D(*CP*TP*TP*AP*AP*TP*TP*C)-3', 5'-D(P*GP*AP*AP*TP*TP*AP*AP*G)-3', ACETATE ION, ...
Authors:Glass, L.S, Georgiadis, M.M, Goodwin, K.D.
Deposit date:2009-01-09
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a trypanocidal 4,4'-bis(imidazolinylamino)diphenylamine bound to DNA.
Biochemistry, 48, 2009
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:2025-01-15
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
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
6ASF
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BU of 6asf by Molmil
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
Last modified:2024-05-01
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
3U0U
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BU of 3u0u by Molmil
Crystal structure of the DB1883-D(CGCGAATTCGCG)2 complex at 1.24 A resolution
Descriptor: 2-(4'-carbamimidoylbiphenyl-4-yl)-1H-indole-6-carboximidamide, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION
Authors:Wei, D.G, Neidle, S.
Deposit date:2011-09-29
Release date:2012-09-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.24 Å)
Cite: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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BU of 3u08 by Molmil
Crystal structure of DB1963-D(CGCGAATTCGCG)2 complex at 1.25 A resolution
Descriptor: 4'-(5-carbamimidoyl-1H-benzimidazol-2-yl)biphenyl-4-carboxamide, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 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 (1.25 Å)
Cite: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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BU of 3u2n by Molmil
Crystal structure of DNA(CGCGAATTCGCG)2 at 1.25 angstroms
Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION
Authors:Wei, D.G, Neidle, S.
Deposit date:2011-10-04
Release date:2013-04-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Small-molecule binding to the DNA minor groove is mediated by a conserved water cluster.
J.Am.Chem.Soc., 135, 2013
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
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

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