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8Q3E
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BU of 8q3e by Molmil
High Resolution Structure of Nucleosome Core with Bound Foamy Virus GAG Peptide
分子名称: DNA (145-MER), GLY-GLY-TYR-ASN-LEU-ARG-PRO-ARG-THR-TYR-GLN-PRO-GLN-ARG-TYR-GLY-GLY-GLY, Histone H2A type 1-B/E, ...
著者De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A.
登録日2023-08-04
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Viral peptide conjugates for metal-warhead delivery to chromatin.
Rsc Adv, 14, 2024
8Q3M
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BU of 8q3m by Molmil
Structure of Nucleosome Core with a Bound Kaposi Sarcoma Associated Herpesvirus LANA Peptide Having a Methionine to Ornithine Substitution
分子名称: DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A.
登録日2023-08-04
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Viral peptide conjugates for metal-warhead delivery to chromatin.
Rsc Adv, 14, 2024
8Q36
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BU of 8q36 by Molmil
Structure of Nucleosome Core with a Bound Metallopeptide Conjugate (Foamy Virus GAG Peptide-Au[I] Compound)
分子名称: DNA (145-MER), GAG structural protein, Histone H2A type 1-B/E, ...
著者De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A.
登録日2023-08-03
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Viral peptide conjugates for metal-warhead delivery to chromatin.
Rsc Adv, 14, 2024
8Q3X
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BU of 8q3x by Molmil
Structure of Nucleosome Core with a Bound Metallopeptide Conjugate (Kaposi Sarcoma Associated Herpesvirus LANA Peptide-Au[I] Compound)
分子名称: 4-diphenylphosphanylbenzoic acid, DNA (145-MER), GOLD ION, ...
著者De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A.
登録日2023-08-04
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Viral peptide conjugates for metal-warhead delivery to chromatin.
Rsc Adv, 14, 2024
5XF5
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BU of 5xf5 by Molmil
Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,S-configuration)
分子名称: (1S,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ...
著者Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A.
登録日2017-04-07
公開日2017-10-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
5XF6
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BU of 5xf6 by Molmil
Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having an ethylenediamine linker
分子名称: DNA (145-MER), ETHANE-1,2-DIAMINE, Histone H2A, ...
著者Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A.
登録日2017-04-07
公開日2017-10-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
5XF4
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BU of 5xf4 by Molmil
Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (S,S-configuration)
分子名称: (1S,2S)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ...
著者Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A.
登録日2017-04-07
公開日2017-10-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
5XF3
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BU of 5xf3 by Molmil
Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,R-configuration)
分子名称: (1R,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ...
著者Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A.
登録日2017-04-07
公開日2017-10-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
6IQ4
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BU of 6iq4 by Molmil
Nucleosome core particle cross-linked with a hetero-binuclear molecule possessing RAPTA and gold(I) 4-(diphenylphosphino)benzoic acid groups.
分子名称: 4-diphenylphosphanylbenzoic acid, DNA (145-MER), GOLD ION, ...
著者DeFalco, L, Batchelor, L.K, Adhireksan, Z, Dyson, P.J, Davey, C.A.
登録日2018-11-06
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crosslinking Allosteric Sites on the Nucleosome.
Angew.Chem.Int.Ed.Engl., 58, 2019
4AUT
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BU of 4aut by Molmil
Crystal structure of the tuberculosis drug target Decaprenyl- Phosphoryl-beta-D-Ribofuranose-2-oxidoreductase (DprE1) from Mycobacterium smegmatis
分子名称: DECAPRENYL-PHOSPHORYL-BETA-D-RIBOFURANOSE-2-OXIDOREDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE
著者Neres, J, Pojer, F, Molteni, E, Chiarelli, L.R, Dhar, N, Boy-Rottger, S, Buroni, S, Fullam, E, Degiacomi, G, Lucarelli, A, Read, R.J, Zanoni, G, Edmondson, D.E, De Rossi, E, Pasca, M, Riccardi, G, Mattevi, A, Dyson, P.J, Cole, S.T, Binda, C.
登録日2012-05-21
公開日2012-09-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Benzothiazinone-Mediated Killing of Mycobacterium Tuberculosis.
Sci. Transl. Med., 4, 2012
5CP6
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BU of 5cp6 by Molmil
Nucleosome Core Particle with Adducts from the Anticancer Compound, [(eta6-5,8,9,10-tetrahydroanthracene)Ru(ethylenediamine)Cl][PF6]
分子名称: (ethane6-5,8,9,10-tetrahydroanthracene)Ru(II)(ethylene-diamine)Cl, DNA (145-MER), Histone H2A, ...
著者Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A.
登録日2015-07-21
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献An Organometallic Compound which Exhibits a DNA Topology-Dependent One-Stranded Intercalation Mode.
Angew.Chem.Int.Ed.Engl., 55, 2016
3DD3
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BU of 3dd3 by Molmil
Crystal Structure of the Glutathione Transferase Pi enzyme in complex with the bifunctional inhibitor, Etharapta
分子名称: (eta6-benzene)ruthenium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, ...
著者Parker, L.J.
登録日2008-06-05
公開日2009-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Rational design of an organometallic glutathione transferase inhibitor
Angew.Chem.Int.Ed.Engl., 48, 2009
3DGQ
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BU of 3dgq by Molmil
Crystal structure of the glutathione transferase PI enzyme in complex with the bifunctional inhibitor, etharapta
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Parker, L.J.
登録日2008-06-15
公開日2009-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rational design of an organometallic glutathione transferase inhibitor
Angew.Chem.Int.Ed.Engl., 48, 2009
4KGC
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BU of 4kgc by Molmil
Nucleosome Core Particle Containing (ETA6-P-CYMENE)-(1, 2-ETHYLENEDIAMINE)-RUTHENIUM
分子名称: (ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium, DNA (145-mer), Histone H2A, ...
著者Adhireksan, Z, Davey, C.A.
登録日2013-04-29
公開日2014-03-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Ligand substitutions between ruthenium-cymene compounds can control protein versus DNA targeting and anticancer activity
Nat Commun, 5, 2014
4NCR
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BU of 4ncr by Molmil
Crystal structure of M. tuberculosis DprE1 in complex with PBTZ169
分子名称: 2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one, bound form, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Neres, J, Pojer, F, Cole, S.T.
登録日2013-10-25
公開日2014-02-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.881 Å)
主引用文献Towards a new combination therapy for tuberculosis with next generation benzothiazinones.
EMBO Mol Med, 6, 2014
3MNN
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BU of 3mnn by Molmil
A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core
分子名称: 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane, 1-methyl-4-(1-methylethyl)benzene, DNA (145-MER), ...
著者Ong, M.S, Davey, C.A.
登録日2010-04-22
公開日2011-04-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A ruthenium antimetastasis agent forms specific histone protein adducts in the nucleosome core
Chemistry, 17, 2011
3N9J
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BU of 3n9j by Molmil
Structure of human Glutathione Transferase Pi class in complex with Ethacraplatin
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Parker, L.J, Parker, M.W.
登録日2010-05-30
公開日2011-05-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Studies of glutathione transferase P1-1 bound to a platinum(IV)-based anticancer compound reveal the molecular basis of its activation.
To be Published
8C3B
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BU of 8c3b by Molmil
X-ray structure of RNase A upon reaction with a Ruthenium(II)-arene Complexed with Glycosylated Carbene Ligands (5)
分子名称: (1,3-dimethyl-2~{H}-imidazol-2-yl)-oxidanyl-oxidanylidene-ruthenium, (1,3-dimethylimidazol-1-ium-2-yl)-tetrakis(oxidanyl)ruthenium, (1,3-dimethylimidazol-1-ium-2-yl)-tris(oxidanyl)ruthenium, ...
著者Ferraro, G, Merlino, A.
登録日2022-12-23
公開日2024-01-10
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Ruthenium(II)–Arene Complexes with Glycosylated NHC-Carbene Co-Ligands: Synthesis, Hydrolytic Behavior, and Binding to Biological Molecules
Organometallics, 42, 2023
8C39
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BU of 8c39 by Molmil
X-ray structure of HEWL upon reaction with a Ruthenium(II)-arene Complexed with Glycosylated Carbene Ligands (5)
分子名称: CHLORIDE ION, Lysozyme, NITRATE ION, ...
著者Ferraro, G, Merlino, A.
登録日2022-12-23
公開日2024-01-10
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Ruthenium(II)–Arene Complexes with Glycosylated NHC-Carbene Co-Ligands: Synthesis, Hydrolytic Behavior, and Binding to Biological Molecules
Organometallics, 42, 2023
5DNM
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BU of 5dnm by Molmil
Nucleosome core particle containing adducts of ruthenium(II)-toluene PTA complex
分子名称: DNA (145-MER), Histone H2A, Histone H2B 1.1, ...
著者Adhireksan, Z, Muhammad, R, Davey, C.A.
登録日2015-09-10
公開日2016-09-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Allosteric cross-talk in chromatin can mediate drug-drug synergy
Nat Commun, 8, 2017
5DNN
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BU of 5dnn by Molmil
Nucleosome core particle containing adducts of gold(I)-triethylphosphane and ruthenium(II)-toluene PTA complexes
分子名称: DNA (145-MER), Histone H2A, Histone H2B 1.1, ...
著者Adhireksan, Z, Ma, Z, Davey, C.A.
登録日2015-09-10
公開日2016-09-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Allosteric cross-talk in chromatin can mediate drug-drug synergy
Nat Commun, 8, 2017
3REK
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BU of 3rek by Molmil
2.6 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with a 146 bp Alpha-Satellite DNA (NCP146b) Derivatized with Oxaliplatin
分子名称: DNA (146-MER), Histone H2A type1, Histone H2B 1.1, ...
著者Wu, B, Davey, C.A.
登録日2011-04-04
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Specific DNA structural attributes modulate platinum anticancer drug site selection and cross-link generation.
Nucleic Acids Res., 39, 2011
3REJ
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BU of 3rej by Molmil
2.55 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with a 146 bp Alpha-Satellite DNA (NCP146b)
分子名称: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Wu, B, Davey, C.A.
登録日2011-04-04
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Specific DNA structural attributes modulate platinum anticancer drug site selection and cross-link generation.
Nucleic Acids Res., 39, 2011
4CYA
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BU of 4cya by Molmil
DpsA15 from Streptomyces coelicolor
分子名称: DPSA15
著者Townsend, P.D, Hitchings, M.D, Del Sol, R, Pohl, E.
登録日2014-04-10
公開日2014-06-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献A Tale of Tails: Deciphering the Contribution of Terminal Tails to the Biochemical Properties of Two Dps Proteins from Streptomyces Coelicolor
Cell.Mol.Life Sci., 71, 2014
3REH
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BU of 3reh by Molmil
2.5 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with a 145 bp Alpha-Satellite DNA (NCP145)
分子名称: DNA (145-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Wu, B, Davey, C.A.
登録日2011-04-04
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Specific DNA structural attributes modulate platinum anticancer drug site selection and cross-link generation.
Nucleic Acids Res., 39, 2011

 

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