7QVQ
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![BU of 7qvq by Molmil](/molmil-images/mine/7qvq) | 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
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7ZUR
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![BU of 7zur by Molmil](/molmil-images/mine/7zur) | 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$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaene, DNA TAGGGTTAGGGT, POTASSIUM ION | 著者 | Bazzicalupi, C, Ferraroni, M, Gratteri, P, Papi, F. | 登録日 | 2022-05-13 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis. Int J Mol Sci, 23, 2022
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7PNL
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![BU of 7pnl by Molmil](/molmil-images/mine/7pnl) | Complex between monomolecular human telomeric G-quadruplex and a sulfonamide derivative of the natural alkaloid Berberine | 分子名称: | 4-[[1-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaen-16-yl)oxy]propyl]triazol-4-yl]methoxy]benzenesulfonamide, G-guadruplex DNA (23-mer), POTASSIUM ION | 著者 | Bazzicalupi, C, Gratteri, P, Petreni, A, Nocentini, A. | 登録日 | 2021-09-07 | 公開日 | 2022-09-21 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Development of a multi-targeted chemotherapeutic approach based on G-quadruplex stabilisation and carbonic anhydrase inhibition. J Enzyme Inhib Med Chem, 39, 2024
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8AAD
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![BU of 8aad by Molmil](/molmil-images/mine/8aad) | Two carbons pendant pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder | 分子名称: | 16,17-dimethoxy-21-(2-pyridin-4-ylethyl)-5,7-dioxa-13$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
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6H5R
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![BU of 6h5r by Molmil](/molmil-images/mine/6h5r) | 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
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5CCW
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![BU of 5ccw by Molmil](/molmil-images/mine/5ccw) | 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
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3R6R
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![BU of 3r6r by Molmil](/molmil-images/mine/3r6r) | 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
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4P1D
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![BU of 4p1d by Molmil](/molmil-images/mine/4p1d) | 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
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4L5K
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![BU of 4l5k by Molmil](/molmil-images/mine/4l5k) | 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
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6S15
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![BU of 6s15 by Molmil](/molmil-images/mine/6s15) | 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
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5MVB
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![BU of 5mvb by Molmil](/molmil-images/mine/5mvb) | 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
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6F3C
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![BU of 6f3c by Molmil](/molmil-images/mine/6f3c) | 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
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5CDB
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![BU of 5cdb by Molmil](/molmil-images/mine/5cdb) | 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
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4D9Y
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![BU of 4d9y by Molmil](/molmil-images/mine/4d9y) | 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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4D9X
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![BU of 4d9x by Molmil](/molmil-images/mine/4d9x) | 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
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3NP6
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![BU of 3np6 by Molmil](/molmil-images/mine/3np6) | 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
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3NX5
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![BU of 3nx5 by Molmil](/molmil-images/mine/3nx5) | 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
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8CR0
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![BU of 8cr0 by Molmil](/molmil-images/mine/8cr0) | Crystal structure of human carbonic anhydrase II in complex with a triazolyl benzoxaborole inhibitor | 分子名称: | 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Alterio, V, De Simone, G, Esposito, D. | 登録日 | 2023-03-07 | 公開日 | 2023-06-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | 6-Substituted Triazolyl Benzoxaboroles as Selective Carbonic Anhydrase Inhibitors: In Silico Design, Synthesis, and X-ray Crystallography. J.Med.Chem., 66, 2023
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