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6NEB
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BU of 6neb by Molmil
MYC Promoter G-Quadruplex with 1:6:1 loop length
Descriptor: DNA (27-MER)
Authors:Dickerhoff, J, Onel, B, Chen, L, Chen, Y, Yang, D.
Deposit date:2018-12-17
Release date:2019-02-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structure of a MYC Promoter G-Quadruplex with 1:6:1 Loop Length.
Acs Omega, 4, 2019
3EQW
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BU of 3eqw by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6042 in small unit cell
Descriptor: 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-10-01
Release date:2008-10-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3ET8
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BU of 3et8 by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6054
Descriptor: 3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-10-07
Release date:2008-10-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3ERU
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BU of 3eru by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6045
Descriptor: 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-10-03
Release date:2008-10-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3ES0
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BU of 3es0 by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6048
Descriptor: 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-10-03
Release date:2008-10-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
1JJP
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BU of 1jjp by Molmil
A(GGGG) Pentad-Containing Dimeric DNA Quadruplex Involving Stacked G(anti)G(anti)G(anti)G(syn) Tetrads
Descriptor: 5'-D(*GP*GP*GP*AP*GP*GP*TP*TP*TP*GP*GP*GP*AP*T)-3'
Authors:Zhang, N, Gorin, A, Majumdar, A, Kettani, A, Chernichenko, N, Skripkin, E, Patel, D.J.
Deposit date:2001-07-09
Release date:2001-09-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:V-shaped scaffold: a new architectural motif identified in an A x (G x G x G x G) pentad-containing dimeric DNA quadruplex involving stacked G(anti) x G(anti) x G(anti) x G(syn) tetrads.
J.Mol.Biol., 311, 2001
3T5E
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BU of 3t5e by Molmil
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
6P45
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BU of 6p45 by Molmil
Crystal structure of the G-quadruplex formed by (TGGGT)4 in complex with N-methylmesoporphryin IX
Descriptor: DNA (5'-D(P*TP*GP*GP*GP*TP*TP*GP*GP*GP*TP*TP*GP*GP*GP*TP*TP*GP*GP*GP*T)-3'), N-METHYLMESOPORPHYRIN, POTASSIUM ION
Authors:Yatsunyk, L.A, Lin, L.Y.
Deposit date:2019-05-26
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.339 Å)
Cite:Biophysical and X-ray structural studies of the (GGGTT)3GGG G-quadruplex in complex with N-methyl mesoporphyrin IX.
Plos One, 15, 2020
3SC8
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BU of 3sc8 by Molmil
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
3EM2
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BU of 3em2 by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6038
Descriptor: 3,6-Bis[(3-morpholinopropionamido)] acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-09-23
Release date:2008-10-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3CDM
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BU of 3cdm by Molmil
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(*DT*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DG)-3'), POTASSIUM ION
Authors:Parkinson, G.N, Neidle, S.
Deposit date:2008-02-27
Release date:2008-09-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 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
3CCO
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BU of 3cco by Molmil
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
6IA0
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BU of 6ia0 by Molmil
Human telomeric G-quadruplex with 8-oxo-G substitution in the central G-quartet
Descriptor: hTel-oxoG10
Authors:Bielskute, S, Plavec, J, Podbevsek, P.
Deposit date:2018-11-26
Release date:2019-01-30
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Impact of Oxidative Lesions on the Human Telomeric G-Quadruplex.
J. Am. Chem. Soc., 141, 2019
2WCN
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BU of 2wcn by Molmil
Solution structure of an LNA-modified quadruplex
Descriptor: DNA (5'-D(*DGP*LCG*DGP*LCG*DTP*DTP*DTP *DTP*DGP*LCG*DGP*LCG)-3')
Authors:Nielsen, J.T, Arar, K, Petersen, M.
Deposit date:2009-03-12
Release date:2009-11-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of a Locked Nucleic Acid Modified Quadruplex: Introducing the V4 Folding Topology.
Angew.Chem.Int.Ed.Engl., 48, 2009
6IA4
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BU of 6ia4 by Molmil
Human telomeric G-quadruplex with 8-oxo-G substitution in the outer G-quartet
Descriptor: hTel-oxoG21
Authors:Bielskute, S, Plavec, J, Podbevsek, P.
Deposit date:2018-11-26
Release date:2019-01-30
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Impact of Oxidative Lesions on the Human Telomeric G-Quadruplex.
J. Am. Chem. Soc., 141, 2019
6O2L
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BU of 6o2l by Molmil
NMR structure of the 2:1 complex of a carbazole derivative BMVC bound to c-MYC G-quadruplex
Descriptor: 3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole, DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3')
Authors:Lin, C, Liu, W, Yang, D.
Deposit date:2019-02-24
Release date:2019-10-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structures of 1:1 and 2:1 complexes of BMVC and MYC promoter G-quadruplex reveal a mechanism of ligand conformation adjustment for G4-recognition.
Nucleic Acids Res., 47, 2019
5CMX
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BU of 5cmx by Molmil
X-ray structure of the complex between human alpha thrombin and a duplex/quadruplex 31-mer DNA aptamer
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, RE31, ...
Authors:Russo Krauss, I, Pica, A, Napolitano, V, Sica, F.
Deposit date:2015-07-17
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Different duplex/quadruplex junctions determine the properties of anti-thrombin aptamers with mixed folding.
Nucleic Acids Res., 44, 2016
3NYP
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BU of 3nyp by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine ligand containing bis-3-fluoropyrrolidine end side chains
Descriptor: 3,6-bis(3-(3'-(R)-fluoropyrrolindino)propionamido)acridine, 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
Authors:Campbell, N.H, Neidle, S.
Deposit date:2010-07-15
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.179 Å)
Cite:Fluorine in medicinal chemistry: beta-fluorination of peripheral pyrrolidines attached to acridine ligands affects their interactions with G-quadruplex DNA.
Org.Biomol.Chem., 9, 2011
3NZ7
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BU of 3nz7 by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine ligand containing bis-3-fluoropyrrolidine end side chains
Descriptor: 3,6-bis(3-(3'-(S)-fluoropyrrolindino)propionamido)acridine, 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
Authors:Campbell, N.H, Neidle, S.
Deposit date:2010-07-16
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Fluorine in medicinal chemistry: beta-fluorination of peripheral pyrrolidines attached to acridine ligands affects their interactions with G-quadruplex DNA.
Org.Biomol.Chem., 9, 2011
7ZUR
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BU of 7zur by Molmil
Four carbons pendant pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder
Descriptor: 16,17-dimethoxy-21-(4-pyridin-4-ylbutyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaene, DNA TAGGGTTAGGGT, POTASSIUM ION
Authors:Bazzicalupi, C, Ferraroni, M, Gratteri, P, Papi, F.
Deposit date:2022-05-13
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis.
Int J Mol Sci, 23, 2022
4U5M
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BU of 4u5m by Molmil
Structure of a left-handed DNA G-quadruplex
Descriptor: DNA (28-MER), MAGNESIUM ION, POTASSIUM ION
Authors:Schmitt, E, Mechulam, Y, Phan, A.T, Brahim, H, Chung, W.J, Lim, K.W.
Deposit date:2014-07-25
Release date:2015-02-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a left-handed DNA G-quadruplex.
Proc.Natl.Acad.Sci.USA, 112, 2015
1XAV
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BU of 1xav by Molmil
Major G-quadruplex structure formed in human c-MYC promoter, a monomeric parallel-stranded quadruplex
Descriptor: 5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3', POTASSIUM ION
Authors:Ambrus, A, Chen, D, Dai, J, Jones, R.A, Yang, D.
Deposit date:2004-08-26
Release date:2005-02-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the biologically relevant G-Quadruplex element in the human c-MYC promoter. Implications for G-quadruplex stabilization.
Biochemistry, 44, 2005
4DA3
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BU of 4da3 by Molmil
Crystal structure of an intramolecular human telomeric DNA G-quadruplex 21-mer 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, DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION
Authors:Collie, G.W, Neidle, S.
Deposit date:2012-01-12
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 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
4DAQ
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BU of 4daq by Molmil
Crystal structure of an intramolecular human telomeric DNA G-quadruplex 21-mer bound by the naphthalene diimide compound 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, DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION
Authors:Collie, G.W, Neidle, S.
Deposit date:2012-01-13
Release date:2013-01-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.754 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
4U92
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BU of 4u92 by Molmil
Crystal structure of a DNA/Ba2+ G-quadruplex containing a water-mediated C-tetrad
Descriptor: BARIUM ION, DNA (5'-D(*CP*CP*AP*KP*GP*CP*GP*TP*GP*G)-3'), MAGNESIUM ION
Authors:Paukstelis, P.J, Zhang, D, Huang, T, Lukeman, P.
Deposit date:2014-08-05
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a DNA/Ba2+ G-quadruplex containing a water-mediated C-tetrad.
Nucleic Acids Res., 42, 2014

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