1O3Q
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![BU of 1o3q by Molmil](/molmil-images/mine/1o3q) | PROTEIN-DNA RECOGNITION AND DNA DEFORMATION REVEALED IN CRYSTAL STRUCTURES OF CAP-DNA COMPLEXES | Descriptor: | 5'-D(*AP*AP*AP*AP*AP*TP*GP*TP*GP*AP*T)-3', 5'-D(*CP*TP*AP*GP*AP*TP*CP*AP*CP*AP*TP*TP*TP*TP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ... | Authors: | Chen, S, Vojtechovsky, J, Parkinson, G.N, Ebright, R.H, Berman, H.M. | Deposit date: | 2003-03-18 | Release date: | 2003-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Indirect Readout of DNA Sequence at the Primary-kink Site in the CAP-DNA Complex: DNA Binding Specificity Based on Energetics of DNA Kinking J.Mol.Biol., 314, 2001
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2GVR
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![BU of 2gvr by Molmil](/molmil-images/mine/2gvr) | |
1S47
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![BU of 1s47 by Molmil](/molmil-images/mine/1s47) | Crystal structure analysis of the DNA quadruplex d(TGGGGT)S2 | Descriptor: | 5'-D(*TP*GP*GP*GP*GP*T)-3', SODIUM ION, THALLIUM (I) ION | Authors: | Caceres, C, Wright, G, Gouyette, C, Parkinson, G, Subirana, J.A. | Deposit date: | 2004-01-15 | Release date: | 2004-02-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Thymine tetrad in d(TGGGGT) quadruplexes stabilized with Tl+1/Na+1 ions Nucleic Acids Res., 32, 2004
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1S45
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![BU of 1s45 by Molmil](/molmil-images/mine/1s45) | Crystal structure analysis of the DNA quadruplex d(TGGGGT) S1 | Descriptor: | 5'-D(*TP*GP*GP*GP*GP*T)-3', MAGNESIUM ION, SODIUM ION, ... | Authors: | Caceres, C, Wright, G, Gouyette, C, Parkinson, G, Subirana, J.A. | Deposit date: | 2004-01-15 | Release date: | 2004-02-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Thymine tetrad in d(TGGGGT) quadruplexes stabilized with Tl+1/Na+1 ions Nucleic Acids Res., 32, 2004
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3SC8
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![BU of 3sc8 by Molmil](/molmil-images/mine/3sc8) | Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide BMSG-SH-3 | Descriptor: | 2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, Human telomeric repeat sequence, POTASSIUM ION | Authors: | Collie, G.W, Promontorio, R, Parkinson, G.N. | Deposit date: | 2011-06-07 | Release date: | 2012-02-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Structural basis for telomeric g-quadruplex targeting by naphthalene diimide ligands. J.Am.Chem.Soc., 134, 2012
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3NR7
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![BU of 3nr7 by Molmil](/molmil-images/mine/3nr7) | |
3QSC
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![BU of 3qsc by Molmil](/molmil-images/mine/3qsc) | The first crystal structure of a human telomeric G-quadruplex DNA bound to a metal-containing ligand (a copper complex) | Descriptor: | 5'-D(*AP*GP*GP*GP*TP*(BRU)P*AP*GP*GP*GP*TP*T)-3', POTASSIUM ION, [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappaO}(2-)]copper (II) | Authors: | Campbell, N.H, Abd Karim, N.H, Parkinson, G.N, Vilar, R, Neidle, S. | Deposit date: | 2011-02-21 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis of structure-activity relationships between salphen metal complexes and human telomeric DNA quadruplexes. J.Med.Chem., 55, 2012
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3QSF
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![BU of 3qsf by Molmil](/molmil-images/mine/3qsf) | The first crystal structure of a human telomeric G-quadruplex DNA bound to a metal-containing ligand (a nickel complex) | Descriptor: | 5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*T)-3', POTASSIUM ION, [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappa O}(2-)]nickel (II) | Authors: | Campbell, N.H, Abd Karim, N.H, Parkinson, G.N, Vilar, R, Neidle, S. | Deposit date: | 2011-02-21 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis of structure-activity relationships between salphen metal complexes and human telomeric DNA quadruplexes. J.Med.Chem., 55, 2012
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2I08
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![BU of 2i08 by Molmil](/molmil-images/mine/2i08) | |
3QXR
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![BU of 3qxr by Molmil](/molmil-images/mine/3qxr) | |
2B3E
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![BU of 2b3e by Molmil](/molmil-images/mine/2b3e) | Crystal structure of DB819-D(CGCGAATTCGCG)2 complex. | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE, MAGNESIUM ION | Authors: | Campbell, N.H, Evans, D.A, Lee, M.P, Parkinson, G.N, Neidle, S. | Deposit date: | 2005-09-20 | Release date: | 2005-11-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Targeting the DNA minor groove with fused ring dicationic compounds: Comparison of in silico screening and a high-resolution crystal structure. Bioorg.Med.Chem.Lett., 16, 2006
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1OO6
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![BU of 1oo6 by Molmil](/molmil-images/mine/1oo6) | Nitroreductase from e-coli in complex with the dinitrobenzamide prodrug SN23862 | Descriptor: | 5-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-DINTRO-BENZAMIDE, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | Deposit date: | 2003-03-03 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form J.Med.Chem., 46, 2003
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1OON
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![BU of 1oon by Molmil](/molmil-images/mine/1oon) | Nitroreductase from e-coli in complex with the dinitrobenzamide prodrug SN27217 | Descriptor: | 2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-N-(2',3'-DIOXOPROPYL)BENZAMIDE, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | Deposit date: | 2003-03-04 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form J.Med.Chem., 46, 2003
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1OOQ
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![BU of 1ooq by Molmil](/molmil-images/mine/1ooq) | Nitroreductase from e-coli in complex with the inhibitor dicoumarol | Descriptor: | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | Deposit date: | 2003-03-04 | Release date: | 2003-04-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form J.Med.Chem., 46, 2003
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1JPQ
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![BU of 1jpq by Molmil](/molmil-images/mine/1jpq) | |
2K4L
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![BU of 2k4l by Molmil](/molmil-images/mine/2k4l) | Solution structure of a 2:1C2-(2-naphthyl)pyrrolo[2,1-c][1,4]benzodiazepine (PBD) DNA adduct: molecular basis for unexpectedly high DNA helix stabilization. | Descriptor: | (11aS)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 5'-D(*DAP*DAP*DTP*DCP*DTP*DTP*DTP*DAP*DAP*DAP*DGP*DAP*DTP*DT)-3' | Authors: | Antonow, D, Barata, T, Jenkins, T.C, Parkinson, G.N, Howard, P.W, Thurston, D.E, Zloh, M. | Deposit date: | 2008-06-13 | Release date: | 2008-10-28 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of a 2:1 C2-(2-naphthyl) pyrrolo[2,1-c][1,4]benzodiazepine DNA adduct: molecular basis for unexpectedly high DNA helix stabilization. Biochemistry, 47, 2008
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1JRN
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![BU of 1jrn by Molmil](/molmil-images/mine/1jrn) | |
3CE5
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![BU of 3ce5 by Molmil](/molmil-images/mine/3ce5) | A bimolecular parallel-stranded human telomeric quadruplex in complex with a 3,6,9-trisubstituted acridine molecule BRACO19 | Descriptor: | 9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine, DNA (5'-D(*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DT)-3'), POTASSIUM ION | Authors: | Campbell, N.H, Parkinson, G.N, Reszka, A.P, Neidle, S. | Deposit date: | 2008-02-28 | Release date: | 2008-05-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of DNA quadruplex recognition by an acridine drug. J.Am.Chem.Soc., 130, 2008
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2B0K
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![BU of 2b0k by Molmil](/molmil-images/mine/2b0k) | Crystal structure of the DB921-D(CGCGAATTCGCG)2 complex. | Descriptor: | 2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-AMIDINE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | 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: | 2023-08-23 | 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
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1OO5
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![BU of 1oo5 by Molmil](/molmil-images/mine/1oo5) | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of the Enzyme Active Form and Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs | Descriptor: | FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | Deposit date: | 2003-03-03 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form J.Med.Chem., 46, 2003
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1L1H
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![BU of 1l1h by Molmil](/molmil-images/mine/1l1h) | |
1LB2
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![BU of 1lb2 by Molmil](/molmil-images/mine/1lb2) | Structure of the E. coli alpha C-terminal domain of RNA polymerase in complex with CAP and DNA | Descriptor: | 5'-D(*CP*TP*AP*GP*AP*TP*CP*AP*CP*AP*TP*TP*TP*TP*AP*GP*GP*AP*AP*AP*AP*AP*AP*G)-3', 5'-D(*CP*TP*TP*TP*TP*TP*TP*CP*CP*TP*AP*AP*AP*AP*TP*GP*TP*GP*AP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ... | Authors: | Benoff, B, Yang, H, Lawson, C.L, Parkinson, G, Liu, J, Blatter, E, Ebright, Y.W, Berman, H.M, Ebright, R.H. | Deposit date: | 2002-04-01 | Release date: | 2002-09-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis of transcription activation: the CAP-alpha CTD-DNA complex. Science, 297, 2002
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1IDT
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![BU of 1idt by Molmil](/molmil-images/mine/1idt) | STRUCTURAL STUDIES ON A PRODRUG-ACTIVATING SYSTEM-CB1954 AND FMN-DEPENDENT NITROREDUCTASE | Descriptor: | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, FLAVIN MONONUCLEOTIDE, MINOR FMN-DEPENDENT NITROREDUCTASE | Authors: | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | Deposit date: | 2001-04-05 | Release date: | 2003-09-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form. J.Med.Chem., 46, 2003
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