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PDB: 45910 件
7H7S
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BU of 7h7s by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z335807570 (CHIKV_MacB-x0935)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8K
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BU of 7h8k by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56791928 (CHIKV_MacB-x1203)
分子名称: 1-methyl-1H-benzimidazol-2-amine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7N
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BU of 7h7n by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z915492990 (CHIKV_MacB-x0892)
分子名称: 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8W
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BU of 7h8w by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z19674820 (CHIKV_MacB-x1316)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-HYDROXY-BENZOIC ACID METHYL ESTER, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H82
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BU of 7h82 by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z275118248 (CHIKV_MacB-x1116)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
1B4E
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BU of 1b4e by Molmil
X-ray structure of 5-aminolevulinic acid dehydratase complexed with the inhibitor levulinic acid
分子名称: GLYCEROL, LAEVULINIC ACID, PROTEIN (5-AMINOLEVULINIC ACID DEHYDRATASE), ...
著者Erskine, P.T, Cooper, J.B, Lewis, G, Spencer, P, Wood, S.P, Shoolingin-Jordan, P.M.
登録日1998-12-19
公開日1999-12-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of 5-aminolevulinic acid dehydratase from Escherichia coli complexed with the inhibitor levulinic acid at 2.0 A resolution.
Biochemistry, 38, 1999
3ITH
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BU of 3ith by Molmil
Crystal structure of the HIV-1 reverse transcriptase bound to a 6-vinylpyrimidine inhibitor
分子名称: 6-ethenyl-N,N-dimethyl-2-(methylsulfonyl)pyrimidin-4-amine, Reverse transcriptase/ribonuclease H, p51 RT
著者Freisz, S, Bec, G, Wolff, P, Dumas, P, Radi, M, Botta, M.
登録日2009-08-28
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of HIV-1 Reverse Transcriptase Bound to a Non-Nucleoside Inhibitor with a Novel Mechanism of Action
Angew.Chem.Int.Ed.Engl., 49, 2010
5TD9
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BU of 5td9 by Molmil
Structure of Human Enolase 2
分子名称: CHLORIDE ION, Gamma-enolase, MAGNESIUM ION
著者Leonard, P.G, Muller, F.L.
登録日2016-09-19
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.318 Å)
主引用文献Pomhex, a cell-permeable Enolase inhibitor for Collateral Lethality targeting of ENO1-deleted Glioblastoma
To Be Published
4FXM
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BU of 4fxm by Molmil
Crystal structure of the complex of a human telomeric repeat G-quadruplex and N-methyl mesoporphyrin IX (P21212)
分子名称: DNA (5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), N-METHYLMESOPORPHYRIN, POTASSIUM ION
著者Nicoludis, J.M, Miller, S.T, Jeffrey, P, Lawton, T.J, Rosenzweig, A.C, Yatsunyk, L.A.
登録日2012-07-03
公開日2012-12-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Optimized End-Stacking Provides Specificity of N-Methyl Mesoporphyrin IX for Human Telomeric G-Quadruplex DNA.
J.Am.Chem.Soc., 134, 2012
7H87
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BU of 7h87 by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741968196 (CHIKV_MacB-x1132)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H70
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BU of 7h70 by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1400796579 (CHIKV_MacB-x0436)
分子名称: (3S)-3-(cyclohexylmethyl)piperazin-2-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H74
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BU of 7h74 by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z184825330 (CHIKV_MacB-x0522)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-ethoxy-N,N-dimethylpyridine-3-carboxamide, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
4XRA
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BU of 4xra by Molmil
Salmonella typhimurium AhpC T43S mutant
分子名称: Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ...
著者Perkins, A, Brereton, A.E, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A.
登録日2015-01-20
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
7H8L
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BU of 7h8l by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z212053854 (CHIKV_MacB-x1213)
分子名称: 1,2,3,4-tetrahydro-1,5-naphthyridine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
5EPV
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BU of 5epv by Molmil
Histidine kinase domain from the LOV-HK blue-light receptor from Brucella abortus
分子名称: Blue-light-activated histidine kinase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Rinaldi, J, Guimaraes, B.G, Legrand, P, Thompson, A, Paris, G, Goldbaum, F.A, Klinke, S.
登録日2015-11-12
公開日2016-02-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural Insights into the HWE Histidine Kinase Family: The Brucella Blue Light-Activated Histidine Kinase Domain.
J.Mol.Biol., 428, 2016
7H79
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BU of 7h79 by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z228586974 (CHIKV_MacB-x0585)
分子名称: (3-fluorophenyl)(piperazin-1-yl)methanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H6N
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BU of 7h6n by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1079512010 (CHIKV_MacB-x0295)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H9C
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BU of 7h9c by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z31721188 (CHIKV_MacB-x1421)
分子名称: (3-hydroxyphenyl)(morpholin-4-yl)methanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H6L
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BU of 7h6l by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104492884 (CHIKV_MacB-x0289)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-amino-N-(pyridin-2-yl)benzenesulfonamide, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
6IC1
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BU of 6ic1 by Molmil
urate oxidase under 90 bar of krypton
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 8-AZAXANTHINE, ACETATE ION, ...
著者Prange, T, Colloc'h, N, Carpentier, P.
登録日2018-12-01
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022
7H75
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BU of 7h75 by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z19755216 (CHIKV_MacB-x0540)
分子名称: 2-(3-fluorophenoxy)-N,N-dimethylacetamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H71
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1416571195 (CHIKV_MacB-x0441)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7G
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z50145861 (CHIKV_MacB-x0760)
分子名称: 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7W
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with NCL-00023825 (CHIKV_MacB-x1076)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-bromanyl-1~{H}-pyridin-2-one, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H6W
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1267773765 (CHIKV_MacB-x0398)
分子名称: (3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published

223790

件を2024-08-14に公開中

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