281D
 
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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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1PRP
 | | CRYSTAL STRUCTURE OF D(CGCGAATTCGCG) COMPLEXED WITH PROPAMIDINE, A SHORT-CHAIN HOMOLOGUE OF THE DRUG PENTAMIDIN | | Descriptor: | 1,3-BIS(AMIDINOPHENOXY)PROPANE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Nunn, C.M, Jenkins, T.C, Neidle, S. | | Deposit date: | 1993-07-23 | | Release date: | 1994-01-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of d(CGCGAATTCGCG) complexed with propamidine, a short-chain homologue of the drug pentamidine.
Biochemistry, 32, 1993
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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
 | | 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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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
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2O6P
 | | Crystal Structure of the heme-IsdC complex | | Descriptor: | CHLORIDE ION, Iron-regulated surface determinant protein C, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Sharp, K.H, Schneider, S, Cockayne, A, Paoli, M. | | Deposit date: | 2006-12-08 | | Release date: | 2007-02-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the heme-IsdC complex, the central conduit of the Isd iron/heme uptake system in Staphylococcus aureus.
J. Biol. Chem., 282, 2007
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1D64
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1D65
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2DBE
 | | CRYSTAL STRUCTURE OF A BERENIL-DODECANUCLEOTIDE COMPLEX: THE ROLE OF WATER IN SEQUENCE-SPECIFIC LIGAND BINDING | | Descriptor: | BERENIL, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Brown, D.G, Sanderson, M.R, Skelly, J.V, Jenkins, T.C, Brown, T, Garman, E, Stuart, D.I, Neidle, S. | | Deposit date: | 1990-03-19 | | Release date: | 1991-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a berenil-dodecanucleotide complex: the role of water in sequence-specific ligand binding.
EMBO J., 9, 1990
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4AH1
 | | CRYSTAL STRUCTURE OF THE DB 921-D(CGCAAATTTGCG)2 COMPLEX AT 1.42 A RESOLUTION | | Descriptor: | 2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-AMIDINE, 5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*GP)-3', MAGNESIUM ION | | Authors: | Munnur, D.G, Mitchell, E.P, Forsyth, V.T, Teixeira, S.C.M, Neidle, S. | | Deposit date: | 2012-02-02 | | Release date: | 2013-01-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | A Detailed Study of Water Network in the Minor Groove of D(Cgcgaattcgcg)2 and D(Cgcaaatttgcg)2 in Presence of Linear Groove Binders
To be Published
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4AH0
 | | CRYSTAL STRUCTURE OF THE DB 985-D(CGCAAATTTGCG)2 COMPLEX AT 1.20 A RESOLUTION | | Descriptor: | 2-(4'-CARBAMIMIDOYL-2'-HYDROXYBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE, 5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*GP)-3', MAGNESIUM ION | | Authors: | Munnur, D.G, Mitchell, E.P, Forsyth, V.T, Teixeira, S.C.M, Neidle, S. | | Deposit date: | 2012-02-02 | | Release date: | 2013-01-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | A Detailed Study of Water Network in the Minor Groove of D(Cgcgaattcgcg)2 and D(Cgcaaatttgcg)2 in Presence of Linear Groove Binders
To be Published
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4AGZ
 | | CRYSTAL STRUCTURE OF THE DB 985-D(CGCGAATTCGCG)2 COMPLEX AT 1.25 A RESOLUTION. | | Descriptor: | 2-(4'-CARBAMIMIDOYL-2'-HYDROXYBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*GP)-3', MAGNESIUM ION | | Authors: | Munnur, D.G, Mitchell, E.P, Forsyth, V.T, Teixeira, S.C.M, Neidle, S. | | Deposit date: | 2012-02-02 | | Release date: | 2013-01-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | A Detailed Study of Water Network in the Minor Groove of D(Cgcgaattcgcg)2 and D(Cgcaaatttgcg)2 in Presence of Linear Groove Binders
To be Published
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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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446D
 | | STRUCTURE OF THE OLIGONUCLEOTIDE D(CGTATATACG) AS A SITE SPECIFIC COMPLEX WITH NICKEL IONS | | Descriptor: | DNA (5'-D(*CP*GP*TP*AP*TP*AP*TP*AP*CP*G)-3'), NICKEL (II) ION | | Authors: | Abrescia, N.G.A, Malinina, L, Gonzaga, L.F, Huynh-Dinh, T, Neidle, S, Subirana, J.A. | | Deposit date: | 1999-01-15 | | Release date: | 1999-03-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the oligonucleotide d(CGTATATACG) as a site-specific complex with nickel ions.
Nucleic Acids Res., 27, 1999
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458D
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3T3F
 | | Ternary Structure of the large fragment of Taq DNA polymerase bound to an abasic site and dNITP | | Descriptor: | 1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-BETA-D-ERYTHRO-PENTOFURANOSYL}-5-NITRO -1H-INDOLE, 5'-D(*AP*AP*AP*(3DR)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3', 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3', ... | | Authors: | Marx, A, Diederichs, K, Obeid, S. | | Deposit date: | 2011-07-25 | | Release date: | 2012-02-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Amino acid templating mechanisms in selection of nucleotides opposite abasic sites by a family a DNA polymerase.
J.Biol.Chem., 287, 2012
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5OL1
 | | Crystal structure of an inactivated Ssp SICLOPPS intein with a CAFHPQ extein | | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DNA polymerase III subunit alpha,DNA polymerase III subunit alpha, ... | | Authors: | Kick, L.M, Schneider, S. | | Deposit date: | 2017-07-26 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Mechanistic Insights into Cyclic Peptide Generation by DnaE Split-Inteins through Quantitative and Structural Investigation.
Chembiochem, 18, 2017
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5OL5
 | | Crystal structure of an inactivated Ssp SICLOPPS intein with CFAHPQ extein | | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, DNA polymerase III subunit alpha,DNA polymerase III subunit alpha, ... | | Authors: | Kick, L.M, Schneider, S. | | Deposit date: | 2017-07-26 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.329 Å) | | Cite: | Mechanistic Insights into Cyclic Peptide Generation by DnaE Split-Inteins through Quantitative and Structural Investigation.
Chembiochem, 18, 2017
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3UYH
 | | Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide compound, MM41 | | Descriptor: | 4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, POTASSIUM ION, human telomeric DNA sequence | | Authors: | Collie, G.W, Neidle, S. | | Deposit date: | 2011-12-06 | | Release date: | 2013-01-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-based design and evaluation of naphthalene diimide g-quadruplex ligands as telomere targeting agents in pancreatic cancer cells.
J.Med.Chem., 56, 2013
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5OL6
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5OL7
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4DRQ
 | | Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-1-((S)-1-(3,5-dichlorophenylsulfonyl)piperidine-2-carbonyloxy)-3-(3,4-dimethoxy -phenyl)propyl)phenoxy)acetic acid | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1S)-1-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid | | Authors: | Gopalakrishnan, R, Kozany, C, Wang, Y, Hoogeland, B, Bracher, A, Hausch, F, Schneider, S. | | Deposit date: | 2012-02-17 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
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3U0U
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3U2N
 | | 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
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