6KFL
| Crystal structure of a two-quartet DNA G-quadruplex complexed with the porphyrin TMPyP4 | Descriptor: | (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, COBALT HEXAMMINE(III), DNA (5'-D(*GP*GP*CP*TP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3'), ... | Authors: | Zhang, Y.S, Parkinson, G.N, Wei, D.G. | Deposit date: | 2019-07-08 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal structure of a two-quartet DNA G-quadruplex complexed with the porphyrin TMPyP4 To Be Published
|
|
3T5E
| Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide BMSG-SH-4 | Descriptor: | 2,7-bis[4-(4-methylpiperazin-1-yl)butyl]-4,9-bis{[4-(4-methylpiperazin-1-yl)butyl]amino}benzo[lmn][3,8]phenanthroline-1 ,3,6,8(2H,7H)-tetrone, POTASSIUM ION, human telomeric DNA sequence | Authors: | Collie, G.W, Promontorio, R, Parkinson, G.N. | Deposit date: | 2011-07-27 | Release date: | 2012-02-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for telomeric g-quadruplex targeting by naphthalene diimide ligands. J.Am.Chem.Soc., 134, 2012
|
|
4E68
| Unphosphorylated STAT3B core protein binding to dsDNA | Descriptor: | DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*CP*T)-3'), Signal transducer and activator of transcription 3 | Authors: | Collie, G.W, Parkinson, G.N, Shah, R. | Deposit date: | 2012-03-15 | Release date: | 2013-03-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.585 Å) | Cite: | Observation of unphosphorylated STAT3 core protein binding to target dsDNA by PEMSA and X-ray crystallography. Febs Lett., 587, 2013
|
|
3MIJ
| Crystal structure of a telomeric RNA G-quadruplex complexed with an acridine-based ligand. | Descriptor: | N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide], POTASSIUM ION, RNA (5'-R(*UP*AP*GP*GP*GP*UP*UP*AP*GP*GP*GP*U)-3') | Authors: | Collie, G.W, Neidle, S, Parkinson, G.N. | Deposit date: | 2010-04-10 | Release date: | 2011-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of telomeric RNA quadruplex-acridine ligand recognition. J.Am.Chem.Soc., 133, 2011
|
|
3IBK
| |
3NR7
| |
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
|
|
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
|
|
3QCR
| Incomplete structural model of a human telomeric DNA quadruplex-acridine complex. | Descriptor: | Human telomeric repeat deoxyribonucleic acid, N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide], POTASSIUM ION | Authors: | Collie, G.W, Neidle, S, Parkinson, G.N. | Deposit date: | 2011-01-17 | Release date: | 2011-02-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of telomeric RNA quadruplex-acridine ligand recognition. J.Am.Chem.Soc., 133, 2011
|
|
1L1H
| |
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
|
|
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
|
|
1O3R
| PROTEIN-DNA RECOGNITION AND DNA DEFORMATION REVEALED IN CRYSTAL STRUCTURES OF CAP-DNA COMPLEXES | Descriptor: | 5'-D(*AP*AP*AP*AP*AP*TP*GP*CP*GP*AP*T)-3', 5'-D(*CP*TP*AP*GP*AP*TP*CP*GP*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
|
|
1O3T
| PROTEIN-DNA RECOGNITION AND DNA DEFORMATION REVEALED IN CRYSTAL STRUCTURES OF CAP-DNA COMPLEXES | Descriptor: | 5'-D(*CP*TP*AP*GP*AP*TP*CP*GP*CP*AP*TP*TP*TP*TP*TP*CP*G)-3', 5'-D(*GP*CP*GP*AP*AP*AP*AP*AP*TP*GP*CP*GP*AP*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 (2.8 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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
3QXR
| |
2AVH
| G4T3G4 dimeric quadruplex structure | Descriptor: | 5'-D(*GP*GP*GP*GP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION | Authors: | Hazel, P, Parkinson, G.N, Neidle, S. | Deposit date: | 2005-08-30 | Release date: | 2006-03-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Topology variation and loop structural homology in crystal and simulated structures of a bimolecular DNA quadruplex. J.Am.Chem.Soc., 128, 2006
|
|
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
|
|
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
|
|
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
|
|