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PDB: 46226 件
5PM2
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BU of 5pm2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 160)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
7H6Z
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BU of 7h6z by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1272494722 (CHIKV_MacB-x0406)
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 (1.32 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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BU of 7h71 by Molmil
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
7H78
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BU of 7h78 by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z2033637875 (CHIKV_MacB-x0553)
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 (1.45 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
5PMG
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BU of 5pmg by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 174)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
7H7W
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BU of 7h7w by Molmil
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
7H7J
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BU of 7h7j by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z728939702 (CHIKV_MacB-x0839)
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 (1.42 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
5PN1
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BU of 5pn1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 195)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
7RGZ
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BU of 7rgz by Molmil
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.485 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7H83
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BU of 7h83 by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741982125 (CHIKV_MacB-x1118)
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Non-structural protein 3, ...
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 (1.45 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8H
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BU of 7h8h by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z89269461 (CHIKV_MacB-x1188)
分子名称: (5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione, 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
5PNL
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BU of 5pnl by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 215)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
7RH3
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BU of 7rh3 by Molmil
Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-chloro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
8P0D
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BU of 8p0d by Molmil
Human 14-3-3 sigma in complex with human MDM2 peptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Roversi, P, Ward, J, Doveston, R, Kwon, H, Romartinez Alonso, B.
登録日2023-05-10
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Characterizing the protein-protein interaction between MDM2 and 14-3-3 sigma ; proof of concept for small molecule stabilization.
J.Biol.Chem., 300, 2024
7H8M
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BU of 7h8m by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z33546644 (CHIKV_MacB-x1258)
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 (1.55 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7QYM
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BU of 7qym by Molmil
Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-18 (R207V, D210P, S211W)
分子名称: Beta-aspartyl-peptidase, CHLORIDE ION, Isoaspartyl peptidase, ...
著者Loch, J.I, Klonecka, A, Kadziolka, K, Bonarek, P, Barciszewski, J, Imiolczyk, B, Brzezinski, K, Jaskolski, M.
登録日2022-01-28
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
7RH4
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BU of 7rh4 by Molmil
Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.201 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7H8P
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BU of 7h8p by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56912586 (CHIKV_MacB-x1271)
分子名称: 1,3-benzothiazol-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 (1.5 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
1LY8
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BU of 1ly8 by Molmil
The crystal structure of a mutant enzyme of Coprinus cinereus peroxidase provides an understanding of its increased thermostability and insight into modelling of protein structures
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
著者Houborg, K, Harris, P, Poulsen, J.-C.N, Svendsen, A, Schneider, P, Larsen, S.
登録日2002-06-07
公開日2002-06-14
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The structure of a mutant enzyme of Coprinus cinereus peroxidase provides an understanding of its increased thermostability.
Acta Crystallogr.,Sect.D, 59, 2003
7QYX
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BU of 7qyx by Molmil
Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-24 (R207A, D210S, S211T)
分子名称: Beta-aspartyl-peptidase, CHLORIDE ION, Isoaspartyl peptidase, ...
著者Loch, J.I, Klonecka, A, Kadziolka, K, Bonarek, P, Barciszewski, J, Imiolczyk, B, Brzezinski, K, Jaskolski, M.
登録日2022-01-29
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
7H8R
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BU of 7h8r by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z218760918 (CHIKV_MacB-x1288)
分子名称: 1,2-benzoxazol-3-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 (1.53 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
2CCY
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BU of 2ccy by Molmil
STRUCTURE OF FERRICYTOCHROME C(PRIME) FROM RHODOSPIRILLUM MOLISCHIANUM AT 1.67 ANGSTROMS RESOLUTION
分子名称: CYTOCHROME C, HEME C
著者Finzel, B.C, Weber, P.C, Hardman, K.D, Salemme, F.R.
登録日1985-08-27
公開日1986-01-21
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structure of ferricytochrome c' from Rhodospirillum molischianum at 1.67 A resolution.
J.Mol.Biol., 186, 1985
4DY8
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BU of 4dy8 by Molmil
Interactions of Mn2+ with a non-self-complementary Z-type DNA duplex
分子名称: DNA (5'-D(*CP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*G)-3'), DNA (5'-D(P*TP*G)-3'), ...
著者Mandal, P.K, Venkadesh, S, Gautham, N.
登録日2012-02-28
公開日2012-11-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Interactions of Mn(2+) with a non-self-complementary Z-type DNA duplex
Acta Crystallogr.,Sect.F, 68, 2012
7RH1
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Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(3-nitro-benzoyl)-3-toluoyl-b-D-talopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-(3-nitrobenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.444 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7H90
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BU of 7h90 by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1378432729 (CHIKV_MacB-x1337)
分子名称: 1-benzofuran-2-sulfonamide, 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 (1.45 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published

225399

件を2024-09-25に公開中

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