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PDB: 17 件

7ZUR
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Four carbons pendant pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder
分子名称: 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
著者Bazzicalupi, C, Ferraroni, M, Gratteri, P, Papi, F.
登録日2022-05-13
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
7QVQ
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BU of 7qvq by Molmil
Human telomeric DNA G-quadruplex of a gold(III) complex containing the 2,4,6-tris (2-pyrimidyl)-1,3,5-triazine ligand
分子名称: 2,4,6-tris (2-pyrimidyl)-1,3,5-triazine gold(III) complex, POTASSIUM ION, human telomeric DNA
著者Bazzicalupi, C, Ryde, U, Gratteri, P, Bergmann, J.
登録日2022-01-23
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
7PNL
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BU of 7pnl by Molmil
Complex between monomolecular human telomeric G-quadruplex and a sulfonamide derivative of the natural alkaloid Berberine
分子名称: 4-[[1-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaen-16-yl)oxy]propyl]triazol-4-yl]methoxy]benzenesulfonamide, G-guadruplex DNA (23-mer), POTASSIUM ION
著者Bazzicalupi, C, Gratteri, P, Petreni, A, Nocentini, A.
登録日2021-09-07
公開日2022-09-21
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Development of a multi-targeted chemotherapeutic approach based on G-quadruplex stabilisation and carbonic anhydrase inhibition.
J Enzyme Inhib Med Chem, 39, 2024
6H5R
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BU of 6h5r by Molmil
Structure of the complex of a human telomeric DNA with bis(1-butyl-3-methyl-imidazole-2-ylidene) gold(I)
分子名称: Human Telomeric DNA, POTASSIUM ION, STRONTIUM ION, ...
著者Bazzicalupi, C, Gratteri, P, Papi, F.
登録日2018-07-25
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Interaction of a gold(i) dicarbene anticancer drug with human telomeric DNA G-quadruplex: solution and computationally aided X-ray diffraction analysis.
Dalton Trans, 47, 2018
8AAD
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BU of 8aad by Molmil
Two carbons pendant pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder
分子名称: 16,17-dimethoxy-21-(2-pyridin-4-ylethyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaene, DNA TAGGGTTAGGGT, POTASSIUM ION
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Papi, F.
登録日2022-07-01
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献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
5MVB
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BU of 5mvb by Molmil
Solution structure of a human G-Quadruplex hybrid-2 form in complex with a Gold-ligand.
分子名称: DNA (26-MER), POTASSIUM ION, bis(m2-Oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii)
著者Wirmer-Bartoschek, J, Jonker, H.R.A, Bendel, L.E, Gruen, T, Bazzicalupi, C, Messori, L, Gratteri, P, Schwalbe, H.
登録日2017-01-16
公開日2017-05-31
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of a Ligand/Hybrid-2-G-Quadruplex Complex Reveals Rearrangements that Affect Ligand Binding.
Angew. Chem. Int. Ed. Engl., 56, 2017
6S15
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Pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder
分子名称: Berberine, DNA TAGGGTTAGGGT, POTASSIUM ION
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Papi, F.
登録日2019-06-18
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Pyridine Derivative of the Natural Alkaloid Berberine as Human Telomeric G4-DNA Binder: A Solution and Solid-State Study.
Acs Med.Chem.Lett., 11, 2020
3NP6
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BU of 3np6 by Molmil
The crystal structure of Berberine bound to DNA d(CGTACG)
分子名称: 5'-D(*CP*GP*TP*AP*CP*G)-3', BERBERINE, CALCIUM ION
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R.
登録日2010-06-28
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-Ray diffraction analyses of the natural isoquinoline alkaloids Berberine and Sanguinarine complexed with double helix DNA d(CGTACG)
Chem.Commun.(Camb.), 47, 2011
3NX5
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BU of 3nx5 by Molmil
The crystal structure of Sanguinarine bound to DNA d(CGTACG)
分子名称: 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, 5'-D(*CP*GP*TP*AP*CP*G)-3', CALCIUM ION
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R.
登録日2010-07-13
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献X-Ray diffraction analyses of the natural isoquinoline alkaloids Berberine and Sanguinarine complexed with double helix DNA d(CGTACG)
Chem.Commun.(Camb.), 47, 2011
3R6R
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BU of 3r6r by Molmil
Structure of the complex of an intramolecular human telomeric DNA with Berberine formed in K+ solution
分子名称: BERBERINE, DNA (22-mer), POTASSIUM ION
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R.
登録日2011-03-22
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structure of human telomeric DNA complexed with berberine: an interesting case of stacked ligand to G-tetrad ratio higher than 1:1.
Nucleic Acids Res., 41, 2013
4L5K
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BU of 4l5k by Molmil
Crystal structure of the complex of DNA hexamer d(CGATCG) with Coptisine
分子名称: 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, DNA (5'-D(*CP*GP*AP*TP*CP*G)-3')
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P.
登録日2013-06-11
公開日2014-07-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Crystal structure of the complex of DNA hexamer d(CGATCG) with Coptisine
to be published
4P1D
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BU of 4p1d by Molmil
Structure of the complex of a bimolecular human telomeric DNA with Coptisine
分子名称: 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, POTASSIUM ION, telomeric DNA
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P.
登録日2014-02-26
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of the complex of a bimolecular human telomeric DNA with Coptisine
to be published
5CCW
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BU of 5ccw by Molmil
Structure of the complex of a human telomeric DNA with Au(caffein-2-ylidene)2
分子名称: Au(caffein-2-ylidene)2, POTASSIUM ION, human telomeric DNA
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Messori, L, Papi, F.
登録日2015-07-02
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Determinants for Tight and Selective Binding of a Medicinal Dicarbene Gold(I) Complex to a Telomeric DNA G-Quadruplex: a Joint ESI MS and XRD Investigation.
Angew.Chem.Int.Ed.Engl., 55, 2016
5CDB
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BU of 5cdb by Molmil
Structure of the complex of a bimolecular human telomeric DNA with a 13-diphenylalkyl Berberine derivative
分子名称: 13-diphenylalkyl Berberine, POTASSIUM ION, human telomeric DNA
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Papi, F.
登録日2015-07-03
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Solution and Solid-State Analysis of Binding of 13-Substituted Berberine Analogues to Human Telomeric G-quadruplexes.
Chem Asian J, 11, 2016
6F3C
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BU of 6f3c by Molmil
The cytotoxic [Pt(H2bapbpy)] platinum complex interacting with the CGTACG hexamer
分子名称: DNA (5'-D(*GP*TP*AP*CP*G)-3'), MAGNESIUM ION, [Pt(H2bapbpy)] platinum
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Papi, F.
登録日2017-11-28
公開日2019-05-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Induction of a Four-Way Junction Structure in the DNA Palindromic Hexanucleotide 5'-d(CGTACG)-3' by a Mononuclear Platinum Complex.
Angew.Chem.Int.Ed.Engl., 58, 2019
4D9X
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BU of 4d9x by Molmil
The crystal structure of Coptisine bound to DNA d(CGTACG)
分子名称: 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, CALCIUM ION, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3')
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R.
登録日2012-01-12
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献The crystal structure of Coptisine bound to DNA d(CGTACG)
to be published
4D9Y
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BU of 4d9y by Molmil
The crystal structure of Chelerythrine bound to DNA d(CGTACG)
分子名称: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, CALCIUM ION, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3')
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R.
登録日2012-01-12
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of Chelerythrine bound to DNA d(CGTACG)
To be Published

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件を2024-11-06に公開中

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