1QBG
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![BU of 1qbg by Molmil](/molmil-images/mine/1qbg) | CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | Authors: | Skelly, J.V, Sanderson, M.R, Suter, D.A, Baumann, U, Gregory, D.S, Bennett, M, Hobbs, S.M, Neidle, S. | Deposit date: | 1999-04-20 | Release date: | 2000-04-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of human DT-diaphorase: a model for interaction with the cytotoxic prodrug 5-(aziridin-1-yl)-2,4-dinitrobenzamide (CB1954). J.Med.Chem., 42, 1999
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3CCO
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![BU of 3cco by Molmil](/molmil-images/mine/3cco) | Structural adaptation and conservation in quadruplex-drug recognition | Descriptor: | 2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, DNA (5'-D(*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DT)-3'), POTASSIUM ION, ... | Authors: | Parkinson, G.N, Neidle, S. | Deposit date: | 2008-02-26 | Release date: | 2008-09-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Topology conservation and loop flexibility in quadruplex-drug recognition: crystal structures of inter- and intramolecular telomeric DNA quadruplex-drug complexes J.Mol.Biol., 381, 2008
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1O0K
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![BU of 1o0k by Molmil](/molmil-images/mine/1o0k) | Structure of the First Parallel DNA Quadruplex-drug Complex | Descriptor: | 5'-D(*TP*GP*GP*GP*GP*T)-3', DAUNOMYCIN, SODIUM ION | Authors: | Clark, G.R, Pytel, P.D, Squire, C.J, Neidle, S. | Deposit date: | 2003-02-22 | Release date: | 2003-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Structure of the First Parallel DNA Quadruplex-drug Complex J.Am.Chem.Soc., 125, 2003
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1QHR
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![BU of 1qhr by Molmil](/molmil-images/mine/1qhr) | NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS | Descriptor: | 6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE, ALPHA THROMBIN, HIRUGEN | Authors: | Jhoti, H, Cleasby, A, Reid, S, Thomas, P, Wonacott, A. | Deposit date: | 1999-05-26 | Release date: | 2000-05-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of thrombin complexed to a novel series of synthetic inhibitors containing a 5,5-trans-lactone template. Biochemistry, 38, 1999
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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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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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3CVV
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![BU of 3cvv by Molmil](/molmil-images/mine/3cvv) | Drosophila melanogaster (6-4) photolyase bound to ds DNA with a T-T (6-4) photolesion and F0 cofactor | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DGP*DGP*(64T)P*(5PY)P*DGP*DCP*DAP*DGP*DGP*DT)-3'), ... | Authors: | Glas, A.F, Maul, M.J, Cryle, M.J, Barends, T.R.M, Schneider, S, Kaya, E, Schlichting, I, Carell, T. | Deposit date: | 2008-04-20 | Release date: | 2009-06-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The archaeal cofactor F0 is a light-harvesting antenna chromophore in eukaryotes. Proc.Natl.Acad.Sci.USA, 106, 2009
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102D
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![BU of 102d by Molmil](/molmil-images/mine/102d) | |
1D65
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![BU of 1d65 by Molmil](/molmil-images/mine/1d65) | |
237D
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![BU of 237d by Molmil](/molmil-images/mine/237d) | CRYSTAL STRUCTURE OF A DNA DECAMER SHOWING A NOVEL PSEUDO FOUR-WAY HELIX-HELIX JUNCTION | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3') | Authors: | Spink, N, Nunn, C.M, Vojtechovsky, J, Berman, H.M, Neidle, S. | Deposit date: | 1995-09-28 | Release date: | 1996-03-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a DNA decamer showing a novel pseudo four-way helix-helix junction. Proc.Natl.Acad.Sci.USA, 92, 1995
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252D
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![BU of 252d by Molmil](/molmil-images/mine/252d) | |
281D
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![BU of 281d by Molmil](/molmil-images/mine/281d) | |
296D
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![BU of 296d by Molmil](/molmil-images/mine/296d) | SEQUENCE-DEPENDENT EFFECTS IN DRUG-DNA INTERACTION: THE CRYSTAL STRUCTURE OF HOECHST 33258 BOUND TO THE D(CGCAAATTTGCG)2 DUPLEX | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3') | Authors: | Spink, N, Brown, D.G, Skelly, J.V, Neidle, S. | Deposit date: | 1994-07-21 | Release date: | 1996-12-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Sequence-dependent effects in drug-DNA interaction: the crystal structure of Hoechst 33258 bound to the d(CGCAAATTTGCG)2 duplex. Nucleic Acids Res., 22, 1994
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1DS7
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![BU of 1ds7 by Molmil](/molmil-images/mine/1ds7) | |
295D
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![BU of 295d by Molmil](/molmil-images/mine/295d) | CRYSTAL AND SOLUTION STRUCTURES OF THE OLIGONUCLEOTIDE D(ATGCGCAT)2: A COMBINED X-RAY AND NMR STUDY | Descriptor: | DNA (5'-D(*AP*TP*GP*CP*GP*CP*AP*T)-3') | Authors: | 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. | Deposit date: | 1991-05-28 | Release date: | 1996-12-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal and solution structures of the oligonucleotide d(ATGCGCAT)2: a combined X-ray and NMR study. Nucleic Acids Res., 18, 1990
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1DNM
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![BU of 1dnm by Molmil](/molmil-images/mine/1dnm) | CRYSTAL STRUCTURE AND SEQUENCE-DEPENDENT CONFORMATION OF THE A.G MIS-PAIRED OLIGONUCLEOTIDE D(CGCAAGCTGGCG) | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*AP*GP*CP*TP*GP*GP*CP*G)-3') | Authors: | Webster, G.D, Sanderson, M.R, Skelly, J.V, Neidle, S, Swann, P.F, Li, B.F, Tickle, I.J. | Deposit date: | 1990-06-22 | Release date: | 1991-07-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure and sequence-dependent conformation of the A.G mispaired oligonucleotide d(CGCAAGCTGGCG). Proc.Natl.Acad.Sci.USA, 87, 1990
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1D80
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![BU of 1d80 by Molmil](/molmil-images/mine/1d80) | |
1D64
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![BU of 1d64 by Molmil](/molmil-images/mine/1d64) | |
261D
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![BU of 261d by Molmil](/molmil-images/mine/261d) | |
2AVJ
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![BU of 2avj by Molmil](/molmil-images/mine/2avj) | G4(Br)UTTG4 dimeric quadruplex | Descriptor: | 5'-D(*GP*GP*GP*GP*(BRU)P*TP*TP*GP*GP*GP*G)-3', CACODYLATE ION, POTASSIUM ION | Authors: | Hazel, P, Parkinson, G.N, Neidle, S. | Deposit date: | 2005-08-30 | Release date: | 2006-03-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Topology variation and loop structural homology in crystal and simulated structures of a bimolecular DNA quadruplex. J.Am.Chem.Soc., 128, 2006
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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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2I2I
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![BU of 2i2i by Molmil](/molmil-images/mine/2i2i) | Crystal structure of the DB293-D(CGCGAATTCGCG)2 complex. | Descriptor: | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | Authors: | Lee, M.P.H, Neidle, S. | Deposit date: | 2006-08-16 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Crystal structure of the DB293-D(CGCGAATTCGCG)2 complex. To be Published
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2GW0
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![BU of 2gw0 by Molmil](/molmil-images/mine/2gw0) | A D(TGGGGT)- sodium and calcium complex. | Descriptor: | 5'-D(*TP*GP*GP*GP*GP*T)-3', CALCIUM ION, SODIUM ION | Authors: | Lee, M.P.H, Parkinson, G.N, Neidle, S. | Deposit date: | 2006-05-03 | Release date: | 2007-05-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Observation of the coexistence of sodium and calcium ions in a DNA G-quadruplex ion channel. J.Am.Chem.Soc., 129, 2007
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2GYX
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![BU of 2gyx by Molmil](/molmil-images/mine/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: | 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
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2HRI
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![BU of 2hri by Molmil](/molmil-images/mine/2hri) | A parallel stranded human telomeric quadruplex in complex with the porphyrin TMPyP4 | Descriptor: | (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, 5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3', POTASSIUM ION | Authors: | Parkinson, G.N, Ghosh, R, Neidle, S. | Deposit date: | 2006-07-20 | Release date: | 2007-05-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural basis for binding of porphyrin to human telomeres. Biochemistry, 46, 2007
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