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7M30
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Cryo-EM structure of the HCMV pentamer bound by antibodies 1-103, 1-32 and 2-25
分子名称: 1-103 Fab Heavy Chain, 1-103 Fab Light Chain, 1-32 Fab Heavy Chain, ...
著者Wrapp, D, McLellan, J.S.
登録日2021-03-17
公開日2021-08-11
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.81 Å)
主引用文献Structural basis for HCMV Pentamer recognition by neuropilin 2 and neutralizing antibodies.
Sci Adv, 8, 2022
6LCH
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BU of 6lch by Molmil
Pseudomonas aeruginosa 5086 (PA5086)
分子名称: Sel1 repeat family protein
著者She, Z, Geng, Z.
登録日2019-11-19
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Characterization of the Pseudomonas aeruginosa T6SS PldB immunity proteins PA5086, PA5087 and PA5088 explains a novel stockpiling mechanism.
Acta Crystallogr.,Sect.F, 76, 2020
8VG5
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Crystal Structure of V113N Variant of D-Dopachrome Tautomerase (D-DT) Bound with 4CPPC
分子名称: 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, CITRIC ACID, D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Thompson, M.C, Pantouris, G.
登録日2023-12-22
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VFK
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BU of 8vfk by Molmil
Crystal Structure of Delta 109-117 D-Dopachrome Tautomerase (D-DT)
分子名称: CITRATE ANION, D-dopachrome decarboxylase, SODIUM ION
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VDY
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Crystal Structure of Delta 114-117 D-Dopachrome Tautomerase (D-DT)
分子名称: D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-18
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VG8
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BU of 8vg8 by Molmil
Crystal Structure of T115A Variant of D-Dopachrome Tautomerase (D-DT) Bound to 4CPPC
分子名称: 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-23
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VFO
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Crystal Structure of L117G Variant of D-Dopachrome Tautomerase (D-DT)
分子名称: CITRIC ACID, D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Thompson, M.C, Pantouris, G.
登録日2023-12-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VFL
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Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 290K
分子名称: D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VG7
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BU of 8vg7 by Molmil
Crystal Structure of T115A Variant of D-Dopachrome Tautomerase (D-DT)
分子名称: D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-23
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VFN
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BU of 8vfn by Molmil
Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 310K
分子名称: D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
2NAA
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BU of 2naa by Molmil
NSD1-PHD_5-C5HCH tandem domain structure
分子名称: Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific, ZINC ION
著者Berardi, A, Quilici, G, Spiliotopoulos, D, Musco, G.
登録日2015-12-22
公開日2016-03-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for PHDVC5HCHNSD1-C2HRNizp1 interaction: implications for Sotos syndrome.
Nucleic Acids Res., 44, 2016
7QAC
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BU of 7qac by Molmil
The T2 structure of polycrystalline cubic human insulin
分子名称: Insulin A chain, Insulin B chain
著者Karavassili, F, Triandafillidis, D.P, Valmas, A, Spiliopoulou, M, Fili, S, Kontou, P, Bowler, M.W, Von Dreele, R.B, Fitch, A, Margiolaki, I.
登録日2021-11-16
公開日2023-06-21
最終更新日2024-02-07
実験手法POWDER DIFFRACTION (2.29 Å)
主引用文献The T 2 structure of polycrystalline cubic human insulin.
Acta Crystallogr D Struct Biol, 79, 2023
2NAB
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BU of 2nab by Molmil
Nizp1-C2HR zinc finger structure
分子名称: ZINC ION, Zinc finger protein 496
著者Berardi, A, Quilici, G, Spiliotopoulos, D, Corral-Rodriguez, M, Martin, F, Degano, M, Tonon, G, Musco, G.
登録日2015-12-22
公開日2016-03-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for PHDVC5HCHNSD1-C2HRNizp1 interaction: implications for Sotos syndrome.
Nucleic Acids Res., 44, 2016
2LRI
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BU of 2lri by Molmil
NMR structure of the second PHD finger of AIRE (AIRE-PHD2)
分子名称: Autoimmune regulator, ZINC ION
著者Gaetani, M, Chignola, F, Mollica, L, Quilici, G, Mannella, V, Spiliotopoulos, D, Musco, G.
登録日2012-04-03
公開日2012-10-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献AIRE-PHD fingers are structural hubs to maintain the integrity of chromatin-associated interactome.
Nucleic Acids Res., 40, 2012
4TQN
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BU of 4tqn by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with UL04
分子名称: 1,2-ETHANEDIOL, 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid, CREB-binding protein
著者Dong, J, Caflisch, A.
登録日2014-06-11
公開日2015-06-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of CREBBP Bromodomain Inhibitors by High-Throughput Docking and Hit Optimization Guided by Molecular Dynamics.
J.Med.Chem., 59, 2016
4TS8
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BU of 4ts8 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with XZ08
分子名称: 1,2-ETHANEDIOL, 4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, CREB-binding protein
著者Dong, J, Gartenmann, L, Spiliotopoulos, D, Caflisch, A.
登録日2014-06-18
公開日2015-07-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the bromodomain of human CREBBP in complex with XZ08
To Be Published
6FGT
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BU of 6fgt by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 3
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-11
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGV
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BU of 6fgv by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 3
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-11
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGF
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Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 2
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-10
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FH7
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BU of 6fh7 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 2
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-12
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FH6
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BU of 6fh6 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 1
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-12
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.082 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FG6
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BU of 6fg6 by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 1
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-10
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGW
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BU of 6fgw by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 4
分子名称: 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-11
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.725 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGG
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Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 5
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-10
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGU
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Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 4
分子名称: 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide, Bromodomain adjacent to zinc finger domain protein 2B
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-11
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018

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