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7h8a

Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z3225843273 (CHIKV_MacB-x1139)

Method: X-RAY DIFFRACTION Dmax: 94.5 Å Quality: EXCELLENT
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1. 蛋白身份与相关结构 Protein Identity & Related Structures

Non-structural protein 3

Chikungunya virus

UniProt Q8JUX6

当前结构中的状态

Assembly 聚集状态 构建体 突变与修饰 配体、离子与共同组分 实验方法与环境 结构质量
1 蛋白单体 单体 蛋白 × 1 PDB 声明：monomeric（1） 与蛋白拷贝数一致 链 A； UniProt 1334–1493 片段：macrodomain DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 IRU 1~{H}-pyrazol-5-ylmethanol × 1 X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad 分辨率 1.38 Å R-free 0.197
2 蛋白单体 单体 蛋白 × 1 PDB 声明：monomeric（1） 与蛋白拷贝数一致 链 B； UniProt 1334–1493 片段：macrodomain CL CHLORIDE ION × 2 X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad 分辨率 1.38 Å R-free 0.197
3 蛋白单体 单体 蛋白 × 1 PDB 声明：monomeric（1） 与蛋白拷贝数一致 链 C； UniProt 1334–1493 片段：macrodomain DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 3 IRU 1~{H}-pyrazol-5-ylmethanol × 1 X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad 分辨率 1.38 Å R-free 0.197
4 蛋白单体 单体 蛋白 × 1 PDB 声明：monomeric（1） 与蛋白拷贝数一致 链 D； UniProt 1334–1493 片段：macrodomain TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad 分辨率 1.38 Å R-free 0.197

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly， “相对当前条目”直接指出证据层面的不同；没有差异标签表示当前已读取字段一致。

其他 PDB 相对当前条目 7H8A Assembly / 聚集状态 构建体 突变与修饰 配体、离子与非聚合物 实验方法与环境 结构质量
3GPG Crystal structure of macro domain of Chikungunya virus 提交 2009-03-23 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：sequence database residues 1334-1493
未记录 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；46% PEG 600, 100 mM hepes, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.65 Å R-free 0.196
3GPG Crystal structure of macro domain of Chikungunya virus 提交 2009-03-23 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：sequence database residues 1334-1493
未记录 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；46% PEG 600, 100 mM hepes, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.65 Å R-free 0.196
3GPG Crystal structure of macro domain of Chikungunya virus 提交 2009-03-23 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：sequence database residues 1334-1493
未记录 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；46% PEG 600, 100 mM hepes, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.65 Å R-free 0.196
3GPG Crystal structure of macro domain of Chikungunya virus 提交 2009-03-23 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：sequence database residues 1334-1493
未记录 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；46% PEG 600, 100 mM hepes, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.65 Å R-free 0.196
3GPO Crystal structure of macro domain of Chikungunya virus in complex with ADP-ribose 提交 2009-03-23 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：sequence database residues 1334-1493
非标准单体：是（mmCIF未提供具体位点） APR ADENOSINE-5-DIPHOSPHORIBOSE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；46% PEG 600, 100 mM hepes, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.90 Å R-free 0.201
3GPO Crystal structure of macro domain of Chikungunya virus in complex with ADP-ribose 提交 2009-03-23 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：sequence database residues 1334-1493
非标准单体：是（mmCIF未提供具体位点） APR ADENOSINE-5-DIPHOSPHORIBOSE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；46% PEG 600, 100 mM hepes, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.90 Å R-free 0.201
3GPO Crystal structure of macro domain of Chikungunya virus in complex with ADP-ribose 提交 2009-03-23 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：sequence database residues 1334-1493
非标准单体：是（mmCIF未提供具体位点） APR ADENOSINE-5-DIPHOSPHORIBOSE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；46% PEG 600, 100 mM hepes, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.90 Å R-free 0.201
3GPO Crystal structure of macro domain of Chikungunya virus in complex with ADP-ribose 提交 2009-03-23 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：sequence database residues 1334-1493
非标准单体：是（mmCIF未提供具体位点） APR ADENOSINE-5-DIPHOSPHORIBOSE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；46% PEG 600, 100 mM hepes, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.90 Å R-free 0.201
3GPQ Crystal structure of macro domain of Chikungunya virus in complex with RNA 提交 2009-03-23 构建体不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：dimeric
链 A 1334–1493（160 aa） 片段：sequence database residues 1334-1493
未记录 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；46% PEG 600, 100 mM hepes, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.00 Å R-free 0.260
3GPQ Crystal structure of macro domain of Chikungunya virus in complex with RNA 提交 2009-03-23 构建体不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白–RNA 单体；蛋白 × 1 PDB 声明：dimeric
链 B 1334–1493（160 aa） 片段：sequence database residues 1334-1493
未记录 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；46% PEG 600, 100 mM hepes, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.00 Å R-free 0.260
3GPQ Crystal structure of macro domain of Chikungunya virus in complex with RNA 提交 2009-03-23 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：sequence database residues 1334-1493
未记录 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；46% PEG 600, 100 mM hepes, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.00 Å R-free 0.260
3GPQ Crystal structure of macro domain of Chikungunya virus in complex with RNA 提交 2009-03-23 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：sequence database residues 1334-1493
未记录 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；46% PEG 600, 100 mM hepes, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.00 Å R-free 0.260
4TU0 CRYSTAL STRUCTURE OF CHIKUNGUNYA VIRUS NSP3 MACRO DOMAIN IN COMPLEX WITH A 2'-5' OLIGOADENYLATE TRIMER 提交 2014-06-23 构建体不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：Dimeric
链 A 1334–1493（160 aa） 片段：UNP RESIDUES 1334-1493
未记录 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；pH 7.4；293 K；46% PEG 600, 100MM HEPES, PH 7.4, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K
分辨率 2.30 Å R-free 0.230
4TU0 CRYSTAL STRUCTURE OF CHIKUNGUNYA VIRUS NSP3 MACRO DOMAIN IN COMPLEX WITH A 2'-5' OLIGOADENYLATE TRIMER 提交 2014-06-23 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：Monomeric
链 B 1334–1493（160 aa） 片段：UNP RESIDUES 1334-1493
未记录 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；pH 7.4；293 K；46% PEG 600, 100MM HEPES, PH 7.4, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K
分辨率 2.30 Å R-free 0.230
4TU0 CRYSTAL STRUCTURE OF CHIKUNGUNYA VIRUS NSP3 MACRO DOMAIN IN COMPLEX WITH A 2'-5' OLIGOADENYLATE TRIMER 提交 2014-06-23 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：Monomeric
链 C 1334–1493（160 aa） 片段：UNP RESIDUES 1334-1493
未记录 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；pH 7.4；293 K；46% PEG 600, 100MM HEPES, PH 7.4, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K
分辨率 2.30 Å R-free 0.230
4TU0 CRYSTAL STRUCTURE OF CHIKUNGUNYA VIRUS NSP3 MACRO DOMAIN IN COMPLEX WITH A 2'-5' OLIGOADENYLATE TRIMER 提交 2014-06-23 构建体不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 4 蛋白–RNA 单体；蛋白 × 1 PDB 声明：Dimeric
链 D 1334–1493（160 aa） 片段：UNP RESIDUES 1334-1493
未记录 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；pH 7.4；293 K；46% PEG 600, 100MM HEPES, PH 7.4, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K
分辨率 2.30 Å R-free 0.230
6Z0U CryoEM structure of the Chikungunya virus nsP1 complex 提交 2020-05-11 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 24 PDB 声明：24-meric
链 A 1–472（472 aa）
链 BA 1–472（472 aa）
链 C 1–472（472 aa）
链 DA 1–472（472 aa）
链 E 1–472（472 aa）
链 FA 1–472（472 aa）
链 G 1–472（472 aa）
链 HA 1–472（472 aa）
链 I 1–472（472 aa）
链 JA 1–472（472 aa）
链 K 1–472（472 aa）
链 LA 1–472（472 aa）
链 M 1–472（472 aa）
链 NA 1–472（472 aa）
链 O 1–472（472 aa）
链 PA 1–472（472 aa）
链 Q 1–472（472 aa）
链 RA 1–472（472 aa）
链 S 1–472（472 aa）
链 TA 1–472（472 aa）
链 V 1–472（472 aa）
链 VA 1–472（472 aa）
链 X 1–472（472 aa）
链 Z 1–472（472 aa）
未记录 ZN ZINC ION × 24 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 7.6
cryo-EM玻璃化条件 冷冻剂 ETHANE-PROPANE；3ul of sample was spotted onto the grid and hand blotted prior to plunge freezing.
分辨率 2.90 Å
6Z0V CryoEM structure of the Chikungunya virus nsP1 complex 提交 2020-05-11 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 12 PDB 声明：dodecameric
链 A 1–472（472 aa）
链 C 1–472（472 aa）
链 E 1–472（472 aa）
链 G 1–472（472 aa）
链 I 1–472（472 aa）
链 K 1–472（472 aa）
链 M 1–472（472 aa）
链 O 1–472（472 aa）
链 Q 1–472（472 aa）
链 S 1–472（472 aa）
链 V 1–472（472 aa）
链 X 1–472（472 aa）
未记录 ZN ZINC ION × 12 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 7.6
cryo-EM玻璃化条件 冷冻剂 ETHANE-PROPANE；3ul of sample was spotted onto the grid and hand blotted prior to plunge freezing.
分辨率 2.60 Å
7DOP Structural insights into viral RNA capping and plasma membrane targeting by Chikungunya virus nonstructural protein 1 提交 2020-12-15 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 12 PDB 声明：dodecameric
链 A 1–516（516 aa）
链 B 1–516（516 aa）
链 C 1–516（516 aa）
链 D 1–516（516 aa）
链 E 1–516（516 aa）
链 F 1–516（516 aa）
链 G 1–516（516 aa）
链 H 1–516（516 aa）
链 I 1–516（516 aa）
链 J 1–516（516 aa）
链 K 1–516（516 aa）
链 L 1–516（516 aa）
未记录 ZN ZINC ION × 12 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 7.8
cryo-EM玻璃化条件 冷冻剂 ETHANE
分辨率 2.38 Å
7FGG Cryo-EM Structure of Chikungunya Virus Nonstructural Protein 1 with m7GTP 提交 2021-07-27 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 12 PDB 声明：dodecameric
链 A 1–516（516 aa）
链 B 1–516（516 aa）
链 C 1–516（516 aa）
链 D 1–516（516 aa）
链 E 1–516（516 aa）
链 F 1–516（516 aa）
链 G 1–516（516 aa）
链 H 1–516（516 aa）
链 I 1–516（516 aa）
链 J 1–516（516 aa）
链 K 1–516（516 aa）
链 L 1–516（516 aa）
未记录 ZN ZINC ION × 12 SAH S-ADENOSYL-L-HOMOCYSTEINE × 12 MGP 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE × 12 MG MAGNESIUM ION × 12 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 7.5
cryo-EM玻璃化条件 冷冻剂 ETHANE
分辨率 2.19 Å
7FGH Cryo-EM Structure of Chikungunya Virus Nonstructural Protein 1 with m7GMP 提交 2021-07-27 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 12 PDB 声明：dodecameric
链 A 1–516（516 aa）
链 B 1–516（516 aa）
链 C 1–516（516 aa）
链 D 1–516（516 aa）
链 E 1–516（516 aa）
链 F 1–516（516 aa）
链 G 1–516（516 aa）
链 H 1–516（516 aa）
链 I 1–516（516 aa）
链 J 1–516（516 aa）
链 K 1–516（516 aa）
链 L 1–516（516 aa）
未记录 ZN ZINC ION × 12 SAH S-ADENOSYL-L-HOMOCYSTEINE × 12 G7M N7-METHYL-GUANOSINE-5'-MONOPHOSPHATE × 12 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 7.5
cryo-EM玻璃化条件 冷冻剂 ETHANE
分辨率 2.18 Å
7FGI Cryo-EM Structure of Chikungunya Virus Nonstructural Protein 1 with m7Gppp-AU 提交 2021-07-27 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白–RNA 同源多聚体；蛋白 × 12 PDB 声明：24-meric
链 A 1–516（516 aa）
链 B 1–516（516 aa）
链 C 1–516（516 aa）
链 D 1–516（516 aa）
链 E 1–516（516 aa）
链 F 1–516（516 aa）
链 G 1–516（516 aa）
链 H 1–516（516 aa）
链 I 1–516（516 aa）
链 J 1–516（516 aa）
链 K 1–516（516 aa）
链 L 1–516（516 aa）
突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A ZN ZINC ION × 12 SAH S-ADENOSYL-L-HOMOCYSTEINE × 12 MG MAGNESIUM ION × 12 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 7.5
cryo-EM玻璃化条件 冷冻剂 ETHANE
分辨率 2.51 Å
7H6J Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z100643660 (CHIKV_MacB-x0270) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 LFO N,1-dimethyl-1H-indole-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.218
7H6J Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z100643660 (CHIKV_MacB-x0270) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.218
7H6J Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z100643660 (CHIKV_MacB-x0270) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.218
7H6J Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z100643660 (CHIKV_MacB-x0270) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.218
7H6K Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 (CHIKV_MacB-x0281) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.33 Å R-free 0.201
7H6K Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 (CHIKV_MacB-x0281) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.33 Å R-free 0.201
7H6K Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 (CHIKV_MacB-x0281) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 2 K34 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.33 Å R-free 0.201
7H6K Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 (CHIKV_MacB-x0281) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.33 Å R-free 0.201
7H6L 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.33 Å R-free 0.205
7H6L 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.33 Å R-free 0.205
7H6L 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 3 SFY 4-amino-N-(pyridin-2-yl)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.33 Å R-free 0.205
7H6L 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.33 Å R-free 0.205
7H6M Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1079168976 (CHIKV_MacB-x0294) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 YXK [1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]acetonitrile × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.204
7H6M Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1079168976 (CHIKV_MacB-x0294) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 YXK [1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]acetonitrile × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.204
7H6M Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1079168976 (CHIKV_MacB-x0294) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.204
7H6M Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1079168976 (CHIKV_MacB-x0294) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.204
7H6N 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.52 Å R-free 0.213
7H6N 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 UWS 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.52 Å R-free 0.213
7H6N 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.52 Å R-free 0.213
7H6N 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.52 Å R-free 0.213
7H6O Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1102357527 (CHIKV_MacB-x0300) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 CL CHLORIDE ION × 2 YX6 N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.219
7H6O Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1102357527 (CHIKV_MacB-x0300) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.219
7H6O Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1102357527 (CHIKV_MacB-x0300) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 2 A1AP2 N-[(3S)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.219
7H6O Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1102357527 (CHIKV_MacB-x0300) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.219
7H6P Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1129283193 (CHIKV_MacB-x0305) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 9 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.209
7H6P Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1129283193 (CHIKV_MacB-x0305) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.209
7H6P Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1129283193 (CHIKV_MacB-x0305) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 SZY N-(4-methylpyridin-3-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.209
7H6P Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1129283193 (CHIKV_MacB-x0305) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.209
7H6Q Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1148165337 (CHIKV_MacB-x0312) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 YG5 2-(1H-indazol-1-yl)-N,N-dimethylacetamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.206
7H6Q Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1148165337 (CHIKV_MacB-x0312) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.206
7H6Q Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1148165337 (CHIKV_MacB-x0312) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 YG5 2-(1H-indazol-1-yl)-N,N-dimethylacetamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.206
7H6Q Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1148165337 (CHIKV_MacB-x0312) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 YG5 2-(1H-indazol-1-yl)-N,N-dimethylacetamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.206
7H6R Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1154747269 (CHIKV_MacB-x0314) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.213
7H6R Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1154747269 (CHIKV_MacB-x0314) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 A1AM7 3-(2-hydroxyethyl)pyrimidin-4(3H)-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.213
7H6R Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1154747269 (CHIKV_MacB-x0314) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 A1AM7 3-(2-hydroxyethyl)pyrimidin-4(3H)-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.213
7H6R Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1154747269 (CHIKV_MacB-x0314) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 A1AM7 3-(2-hydroxyethyl)pyrimidin-4(3H)-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.213
7H6S Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1162778919 (CHIKV_MacB-x0316) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.205
7H6S Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1162778919 (CHIKV_MacB-x0316) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.205
7H6S Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1162778919 (CHIKV_MacB-x0316) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 A1AP3 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2(1H)-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.205
7H6S Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1162778919 (CHIKV_MacB-x0316) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.205
7H6T Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1165350851 (CHIKV_MacB-x0317) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.34 Å R-free 0.206
7H6T Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1165350851 (CHIKV_MacB-x0317) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.34 Å R-free 0.206
7H6T Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1165350851 (CHIKV_MacB-x0317) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 A1AJZ 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.34 Å R-free 0.206
7H6T Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1165350851 (CHIKV_MacB-x0317) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.34 Å R-free 0.206
7H6U Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1216833237 (CHIKV_MacB-x0353) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 A1AJ2 N-methylisoquinolin-1-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.48 Å R-free 0.224
7H6U Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1216833237 (CHIKV_MacB-x0353) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 A1AJ2 N-methylisoquinolin-1-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.48 Å R-free 0.224
7H6U Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1216833237 (CHIKV_MacB-x0353) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.48 Å R-free 0.224
7H6U Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1216833237 (CHIKV_MacB-x0353) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.48 Å R-free 0.224
7H6V Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1262633486 (CHIKV_MacB-x0394) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.206
7H6V Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1262633486 (CHIKV_MacB-x0394) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.206
7H6V Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1262633486 (CHIKV_MacB-x0394) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.206
7H6V Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1262633486 (CHIKV_MacB-x0394) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 UQJ 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.206
7H6W 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.211
7H6W 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.211
7H6W 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 2 W0G (3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.211
7H6W 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.211
7H6X Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1267800292 (CHIKV_MacB-x0399) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 O2A N-methyl-1H-indole-7-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.33 Å R-free 0.211
7H6X Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1267800292 (CHIKV_MacB-x0399) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 O2A N-methyl-1H-indole-7-carboxamide × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.33 Å R-free 0.211
7H6X Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1267800292 (CHIKV_MacB-x0399) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 O2A N-methyl-1H-indole-7-carboxamide × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.33 Å R-free 0.211
7H6X Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1267800292 (CHIKV_MacB-x0399) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 O2A N-methyl-1H-indole-7-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.33 Å R-free 0.211
7H6Y Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1270393711 (CHIKV_MacB-x0404) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 Z5C 5-(methoxymethyl)-1,2-oxazole-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.210
7H6Y Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1270393711 (CHIKV_MacB-x0404) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.210
7H6Y Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1270393711 (CHIKV_MacB-x0404) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 Z5C 5-(methoxymethyl)-1,2-oxazole-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.210
7H6Y Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1270393711 (CHIKV_MacB-x0404) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.210
7H6Z 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 LF6 {(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.32 Å R-free 0.202
7H6Z 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 LF6 {(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.32 Å R-free 0.202
7H6Z 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.32 Å R-free 0.202
7H6Z 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.32 Å R-free 0.202
7H70 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 A1AP4 (3S)-3-(cyclohexylmethyl)piperazin-2-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.209
7H70 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.209
7H70 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 A1AP4 (3S)-3-(cyclohexylmethyl)piperazin-2-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.209
7H70 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.209
7H71 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.32 Å R-free 0.202
7H71 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.32 Å R-free 0.202
7H71 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.32 Å R-free 0.202
7H71 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 WZ7 2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.32 Å R-free 0.202
7H72 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1562205518 (CHIKV_MacB-x0477) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 CL CHLORIDE ION × 2 W17 1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.36 Å R-free 0.206
7H72 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1562205518 (CHIKV_MacB-x0477) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.36 Å R-free 0.206
7H72 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1562205518 (CHIKV_MacB-x0477) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.36 Å R-free 0.206
7H72 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1562205518 (CHIKV_MacB-x0477) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 1 W17 1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.36 Å R-free 0.206
7H73 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1730522163 (CHIKV_MacB-x0505) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 Q7X 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethan-1-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.207
7H73 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1730522163 (CHIKV_MacB-x0505) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 Q7X 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethan-1-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.207
7H73 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1730522163 (CHIKV_MacB-x0505) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 2 Q7X 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethan-1-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.207
7H73 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1730522163 (CHIKV_MacB-x0505) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.207
7H74 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 A1AP5 2-ethoxy-N,N-dimethylpyridine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.213
7H74 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 A1AP5 2-ethoxy-N,N-dimethylpyridine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.213
7H74 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.213
7H74 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 A1AP5 2-ethoxy-N,N-dimethylpyridine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.213
7H75 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.209
7H75 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.209
7H75 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 TT3 2-(3-fluorophenoxy)-N,N-dimethylacetamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.209
7H75 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.209
7H76 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z198194396 (CHIKV_MacB-x0543) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 K2M 4-(furan-2-carbonyl)piperazine-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.207
7H76 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z198194396 (CHIKV_MacB-x0543) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 K2M 4-(furan-2-carbonyl)piperazine-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.207
7H76 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z198194396 (CHIKV_MacB-x0543) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 1 K2M 4-(furan-2-carbonyl)piperazine-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.207
7H76 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z198194396 (CHIKV_MacB-x0543) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.207
7H77 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z198195770 (CHIKV_MacB-x0544) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.215
7H77 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z198195770 (CHIKV_MacB-x0544) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.215
7H77 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z198195770 (CHIKV_MacB-x0544) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.215
7H77 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z198195770 (CHIKV_MacB-x0544) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 LJA N-[3-(carbamoylamino)phenyl]acetamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.215
7H78 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 LRF N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.217
7H78 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 LRF N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.217
7H78 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.217
7H78 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.217
7H79 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.218
7H79 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 A1AJ8 (3-fluorophenyl)(piperazin-1-yl)methanone × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.218
7H79 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 1 A1AJ8 (3-fluorophenyl)(piperazin-1-yl)methanone × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.218
7H79 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 A1AJ8 (3-fluorophenyl)(piperazin-1-yl)methanone × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.218
7H7A Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z26333434 (CHIKV_MacB-x0620) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.36 Å R-free 0.204
7H7A Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z26333434 (CHIKV_MacB-x0620) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.36 Å R-free 0.204
7H7A Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z26333434 (CHIKV_MacB-x0620) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 RYM 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.36 Å R-free 0.204
7H7A Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z26333434 (CHIKV_MacB-x0620) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.36 Å R-free 0.204
7H7B Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z2692078340 (CHIKV_MacB-x0632) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 W1Y N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.47 Å R-free 0.217
7H7B Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z2692078340 (CHIKV_MacB-x0632) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.47 Å R-free 0.217
7H7B Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z2692078340 (CHIKV_MacB-x0632) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.47 Å R-free 0.217
7H7B Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z2692078340 (CHIKV_MacB-x0632) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.47 Å R-free 0.217
7H7C Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z31504642 (CHIKV_MacB-x0692) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.203
7H7C Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z31504642 (CHIKV_MacB-x0692) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.203
7H7C Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z31504642 (CHIKV_MacB-x0692) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 WJD 2-methoxy-N-phenylacetamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.203
7H7C Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z31504642 (CHIKV_MacB-x0692) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 WJD 2-methoxy-N-phenylacetamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.203
7H7D Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z422410426 (CHIKV_MacB-x0721) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.227
7H7D Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z422410426 (CHIKV_MacB-x0721) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 A1AP6 N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.227
7H7D Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z422410426 (CHIKV_MacB-x0721) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.227
7H7D Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z422410426 (CHIKV_MacB-x0721) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.227
7H7E Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z432057220 (CHIKV_MacB-x0732) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.204
7H7E Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z432057220 (CHIKV_MacB-x0732) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.204
7H7E Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z432057220 (CHIKV_MacB-x0732) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 UVG N,N-dimethyl-1H-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.204
7H7E Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z432057220 (CHIKV_MacB-x0732) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.204
7H7F Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z4628744292 (CHIKV_MacB-x0756) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 A1AP7 4-(4-methyl-1H-pyrazol-5-yl)pyridine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.47 Å R-free 0.216
7H7F Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z4628744292 (CHIKV_MacB-x0756) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.47 Å R-free 0.216
7H7F Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z4628744292 (CHIKV_MacB-x0756) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 A1AP7 4-(4-methyl-1H-pyrazol-5-yl)pyridine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.47 Å R-free 0.216
7H7F Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z4628744292 (CHIKV_MacB-x0756) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 A1AP7 4-(4-methyl-1H-pyrazol-5-yl)pyridine × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.47 Å R-free 0.216
7H7G 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 CL CHLORIDE ION × 3 W1P 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.37 Å R-free 0.207
7H7G 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 W1P 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.37 Å R-free 0.207
7H7G 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 W1P 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.37 Å R-free 0.207
7H7G 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 W1P 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.37 Å R-free 0.207
7H7H Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z600458168 (CHIKV_MacB-x0822) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 A1AP8 (2S)-1-(2-methyl-1H-imidazol-1-yl)propan-2-ol × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.210
7H7H Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z600458168 (CHIKV_MacB-x0822) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.210
7H7H Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z600458168 (CHIKV_MacB-x0822) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.210
7H7H Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z600458168 (CHIKV_MacB-x0822) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.210
7H7I Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z606937774 (CHIKV_MacB-x0824) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 U0V 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.218
7H7I Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z606937774 (CHIKV_MacB-x0824) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.218
7H7I Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z606937774 (CHIKV_MacB-x0824) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.218
7H7I Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z606937774 (CHIKV_MacB-x0824) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.218
7H7J 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 KCC N-methylquinoxalin-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.204
7H7J 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 KCC N-methylquinoxalin-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.204
7H7J 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 KCC N-methylquinoxalin-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.204
7H7J 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 KCC N-methylquinoxalin-2-amine × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.204
7H7K Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z768399682 (CHIKV_MacB-x0858) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 K0D [(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.213
7H7K Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z768399682 (CHIKV_MacB-x0858) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 K0D [(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.213
7H7K Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z768399682 (CHIKV_MacB-x0858) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 K0D [(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.213
7H7K Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z768399682 (CHIKV_MacB-x0858) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 K0D [(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.213
7H7L Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z815437698 (CHIKV_MacB-x0864) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 Q7L (3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.209
7H7L Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z815437698 (CHIKV_MacB-x0864) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.209
7H7L Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z815437698 (CHIKV_MacB-x0864) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 Q7L (3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.209
7H7L Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z815437698 (CHIKV_MacB-x0864) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 Q7L (3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.209
7H7M Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z905065822 (CHIKV_MacB-x0888) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.199
7H7M Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z905065822 (CHIKV_MacB-x0888) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 ZV5 (5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.199
7H7M Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z905065822 (CHIKV_MacB-x0888) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 A1AP9 (5S)-1,3,7-triazaspiro[4.5]decane-2,4-dione × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.199
7H7M Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z905065822 (CHIKV_MacB-x0888) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.199
7H7N 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 JO1 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.202
7H7N 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.202
7H7N 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.202
7H7N 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 1 JO1 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.202
7H7O Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z952016136 (CHIKV_MacB-x0894) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 KBU 4-chloro-1H-benzimidazole × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.219
7H7O Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z952016136 (CHIKV_MacB-x0894) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 KBU 4-chloro-1H-benzimidazole × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.219
7H7O Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z952016136 (CHIKV_MacB-x0894) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 KBU 4-chloro-1H-benzimidazole × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.219
7H7O Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z952016136 (CHIKV_MacB-x0894) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.219
7H7P Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z32968340 (CHIKV_MacB-x0926) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 A1AQA [(2S)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.214
7H7P Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z32968340 (CHIKV_MacB-x0926) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 A1AQA [(2S)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.214
7H7P Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z32968340 (CHIKV_MacB-x0926) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.214
7H7P Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z32968340 (CHIKV_MacB-x0926) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 A1AQA [(2S)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.214
7H7Q Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z329734230 (CHIKV_MacB-x0927) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.56 Å R-free 0.231
7H7Q Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z329734230 (CHIKV_MacB-x0927) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 A1AQB (2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.56 Å R-free 0.231
7H7Q Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z329734230 (CHIKV_MacB-x0927) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 2 A1AQB (2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.56 Å R-free 0.231
7H7Q Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z329734230 (CHIKV_MacB-x0927) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 1 A1AQB (2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.56 Å R-free 0.231
7H7R Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z33546965 (CHIKV_MacB-x0934) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 ONQ ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.205
7H7R Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z33546965 (CHIKV_MacB-x0934) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.205
7H7R Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z33546965 (CHIKV_MacB-x0934) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 1 ONQ ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.205
7H7R Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z33546965 (CHIKV_MacB-x0934) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 ONQ ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.205
7H7S 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 GT4 ~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.37 Å R-free 0.209
7H7S 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 GT4 ~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.37 Å R-free 0.209
7H7S 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 GT4 ~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.37 Å R-free 0.209
7H7S 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 1 GT4 ~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.37 Å R-free 0.209
7H7T Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z385370362 (CHIKV_MacB-x0969) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 A1AQC (2,3-dihydro-1-benzofuran-5-yl)methanol × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.34 Å R-free 0.206
7H7T Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z385370362 (CHIKV_MacB-x0969) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.34 Å R-free 0.206
7H7T Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z385370362 (CHIKV_MacB-x0969) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 A1AQC (2,3-dihydro-1-benzofuran-5-yl)methanol × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.34 Å R-free 0.206
7H7T Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z385370362 (CHIKV_MacB-x0969) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 A1AQC (2,3-dihydro-1-benzofuran-5-yl)methanol × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.34 Å R-free 0.206
7H7U Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with POB0112 (CHIKV_MacB-x0997) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.216
7H7U Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with POB0112 (CHIKV_MacB-x0997) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 A1AQD methyl (3S)-3-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxylate × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.216
7H7U Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with POB0112 (CHIKV_MacB-x0997) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 2 A1AQE methyl (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxylate × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.216
7H7U Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with POB0112 (CHIKV_MacB-x0997) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.216
7H7V Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with NCL-00023823 (CHIKV_MacB-x1075) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 HEW 4-bromanylpyridin-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.230
7H7V Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with NCL-00023823 (CHIKV_MacB-x1075) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 HEW 4-bromanylpyridin-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.230
7H7V Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with NCL-00023823 (CHIKV_MacB-x1075) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.230
7H7V Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with NCL-00023823 (CHIKV_MacB-x1075) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 HEW 4-bromanylpyridin-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.230
7H7W 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.221
7H7W 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 HGQ 4-bromanyl-1~{H}-pyridin-2-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.221
7H7W 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.221
7H7W 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.221
7H7X Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with NCL-00024672 (CHIKV_MacB-x1091) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.221
7H7X Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with NCL-00024672 (CHIKV_MacB-x1091) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.221
7H7X Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with NCL-00024672 (CHIKV_MacB-x1091) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 UUS 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.221
7H7X Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with NCL-00024672 (CHIKV_MacB-x1091) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 UUS 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.221
7H7Y Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1198386795 (CHIKV_MacB-x1103) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.37 Å R-free 0.207
7H7Y Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1198386795 (CHIKV_MacB-x1103) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 HUH 1~{H}-1,2,3-triazole × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.37 Å R-free 0.207
7H7Y Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1198386795 (CHIKV_MacB-x1103) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 HUH 1~{H}-1,2,3-triazole × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.37 Å R-free 0.207
7H7Y Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1198386795 (CHIKV_MacB-x1103) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 HUH 1~{H}-1,2,3-triazole × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.37 Å R-free 0.207
7H7Z Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741970824 (CHIKV_MacB-x1108) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 2 T5V pyrimidin-5-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.204
7H7Z Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741970824 (CHIKV_MacB-x1108) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 T5V pyrimidin-5-amine × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.204
7H7Z Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741970824 (CHIKV_MacB-x1108) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 T5V pyrimidin-5-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.204
7H7Z Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741970824 (CHIKV_MacB-x1108) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 1 T5V pyrimidin-5-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.204
7H80 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57127349 (CHIKV_MacB-x1112) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 SZB succinimide × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.78 Å R-free 0.244
7H80 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57127349 (CHIKV_MacB-x1112) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 SZB succinimide × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.78 Å R-free 0.244
7H80 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57127349 (CHIKV_MacB-x1112) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 SZB succinimide × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.78 Å R-free 0.244
7H80 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57127349 (CHIKV_MacB-x1112) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 SZB succinimide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.78 Å R-free 0.244
7H81 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z940713508 (CHIKV_MacB-x1114) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 BAQ pyrrolidin-2-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.228
7H81 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z940713508 (CHIKV_MacB-x1114) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 2 BAQ pyrrolidin-2-one × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.228
7H81 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z940713508 (CHIKV_MacB-x1114) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 BAQ pyrrolidin-2-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.228
7H81 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z940713508 (CHIKV_MacB-x1114) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 BAQ pyrrolidin-2-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.228
7H82 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 HVK pyridin-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.214
7H82 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 HVK pyridin-2-amine × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.214
7H82 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.214
7H82 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 HVK pyridin-2-amine × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.214
7H83 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 1 T5Y pyridin-2-ol × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.199
7H83 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 T5Y pyridin-2-ol × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.199
7H83 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 T5Y pyridin-2-ol × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.199
7H83 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 1 T5Y pyridin-2-ol × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.199
7H84 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56866006 (CHIKV_MacB-x1123) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 CL CHLORIDE ION × 3 3TR 3-AMINO-1,2,4-TRIAZOLE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.200
7H84 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56866006 (CHIKV_MacB-x1123) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 3TR 3-AMINO-1,2,4-TRIAZOLE × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.200
7H84 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56866006 (CHIKV_MacB-x1123) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 3TR 3-AMINO-1,2,4-TRIAZOLE × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.200
7H84 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56866006 (CHIKV_MacB-x1123) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 3TR 3-AMINO-1,2,4-TRIAZOLE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.200
7H85 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56896153 (CHIKV_MacB-x1125) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 XHD 2-cyanoacetamide × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.214
7H85 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56896153 (CHIKV_MacB-x1125) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.214
7H85 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56896153 (CHIKV_MacB-x1125) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 1 XHD 2-cyanoacetamide × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.214
7H85 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56896153 (CHIKV_MacB-x1125) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.214
7H86 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56968535 (CHIKV_MacB-x1131) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 XJJ piperazin-2-one × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.227
7H86 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56968535 (CHIKV_MacB-x1131) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 CL CHLORIDE ION × 1 XJJ piperazin-2-one × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.227
7H86 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56968535 (CHIKV_MacB-x1131) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 1 XJJ piperazin-2-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.227
7H86 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56968535 (CHIKV_MacB-x1131) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 1 XJJ piperazin-2-one × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.227
7H87 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 LGA PYRIMIDIN-2-AMINE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.229
7H87 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 LGA PYRIMIDIN-2-AMINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.229
7H87 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 LGA PYRIMIDIN-2-AMINE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.229
7H87 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 LGA PYRIMIDIN-2-AMINE × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.229
7H88 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741972444 (CHIKV_MacB-x1134) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 A1ASB (1Z)-N-hydroxy-2-methylpropanimidamide × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.68 Å R-free 0.224
7H88 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741972444 (CHIKV_MacB-x1134) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 A1ASB (1Z)-N-hydroxy-2-methylpropanimidamide × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.68 Å R-free 0.224
7H88 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741972444 (CHIKV_MacB-x1134) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 2 A1ASB (1Z)-N-hydroxy-2-methylpropanimidamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.68 Å R-free 0.224
7H88 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741972444 (CHIKV_MacB-x1134) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 A1ASB (1Z)-N-hydroxy-2-methylpropanimidamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.68 Å R-free 0.224
7H89 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z3219959731 (CHIKV_MacB-x1135) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 W3G pyridazin-3(2H)-one × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.210
7H89 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z3219959731 (CHIKV_MacB-x1135) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 CL CHLORIDE ION × 2 W3G pyridazin-3(2H)-one × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.210
7H89 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z3219959731 (CHIKV_MacB-x1135) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 1 W3G pyridazin-3(2H)-one × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.210
7H89 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z3219959731 (CHIKV_MacB-x1135) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 W3G pyridazin-3(2H)-one × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.210
7H8B Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z241119328 (CHIKV_MacB-x1145) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 CL CHLORIDE ION × 3 3AX 1H-pyrazol-5-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.214
7H8B Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z241119328 (CHIKV_MacB-x1145) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 3AX 1H-pyrazol-5-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.214
7H8B Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z241119328 (CHIKV_MacB-x1145) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 3AX 1H-pyrazol-5-amine × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.214
7H8B Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z241119328 (CHIKV_MacB-x1145) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 3AX 1H-pyrazol-5-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.214
7H8C Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468 (CHIKV_MacB-x1151) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 XJV imidazolidin-2-one × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.52 Å R-free 0.218
7H8C Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468 (CHIKV_MacB-x1151) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 2 XJV imidazolidin-2-one × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.52 Å R-free 0.218
7H8C Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468 (CHIKV_MacB-x1151) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 XJV imidazolidin-2-one × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.52 Å R-free 0.218
7H8C Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468 (CHIKV_MacB-x1151) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 XJV imidazolidin-2-one × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.52 Å R-free 0.218
7H8D Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z281773378 (CHIKV_MacB-x1175) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 CL CHLORIDE ION × 3 T9F 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.61 Å R-free 0.241
7H8D Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z281773378 (CHIKV_MacB-x1175) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 T9F 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.61 Å R-free 0.241
7H8D Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z281773378 (CHIKV_MacB-x1175) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.61 Å R-free 0.241
7H8D Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z281773378 (CHIKV_MacB-x1175) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.61 Å R-free 0.241
7H8E Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z303754556 (CHIKV_MacB-x1182) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 A1AQF (3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.52 Å R-free 0.222
7H8E Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z303754556 (CHIKV_MacB-x1182) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 A1AQF (3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.52 Å R-free 0.222
7H8E Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z303754556 (CHIKV_MacB-x1182) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 A1AQF (3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.52 Å R-free 0.222
7H8E Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z303754556 (CHIKV_MacB-x1182) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 A1AQF (3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.52 Å R-free 0.222
7H8F Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57299966 (CHIKV_MacB-x1183) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.218
7H8F Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57299966 (CHIKV_MacB-x1183) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 T1U (1-methyl-1H-benzimidazol-2-yl)methanol × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.218
7H8F Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57299966 (CHIKV_MacB-x1183) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.218
7H8F Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57299966 (CHIKV_MacB-x1183) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.218
7H8G Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z228586860 (CHIKV_MacB-x1185) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 A1AQG (2-fluorophenyl)(piperazin-1-yl)methanone × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.37 Å R-free 0.209
7H8G Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z228586860 (CHIKV_MacB-x1185) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 A1AQG (2-fluorophenyl)(piperazin-1-yl)methanone × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.37 Å R-free 0.209
7H8G Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z228586860 (CHIKV_MacB-x1185) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 A1AQG (2-fluorophenyl)(piperazin-1-yl)methanone × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.37 Å R-free 0.209
7H8G Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z228586860 (CHIKV_MacB-x1185) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 1 A1AQG (2-fluorophenyl)(piperazin-1-yl)methanone × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.37 Å R-free 0.209
7H8H 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.215
7H8H 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.215
7H8H 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 W3Y (5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.215
7H8H 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.215
7H8I Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z362772344 (CHIKV_MacB-x1194) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 A1AQH 1,4,6-trimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.65 Å R-free 0.236
7H8I Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z362772344 (CHIKV_MacB-x1194) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.65 Å R-free 0.236
7H8I Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z362772344 (CHIKV_MacB-x1194) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 A1AQH 1,4,6-trimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.65 Å R-free 0.236
7H8I Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z362772344 (CHIKV_MacB-x1194) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 A1AQH 1,4,6-trimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.65 Å R-free 0.236
7H8J Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z362020366 (CHIKV_MacB-x1198) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 W3S [1,2,4]triazolo[4,3-a]pyridin-3-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.58 Å R-free 0.229
7H8J Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z362020366 (CHIKV_MacB-x1198) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 W3S [1,2,4]triazolo[4,3-a]pyridin-3-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.58 Å R-free 0.229
7H8J Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z362020366 (CHIKV_MacB-x1198) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 W3S [1,2,4]triazolo[4,3-a]pyridin-3-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.58 Å R-free 0.229
7H8J Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z362020366 (CHIKV_MacB-x1198) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 W3S [1,2,4]triazolo[4,3-a]pyridin-3-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.58 Å R-free 0.229
7H8K 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 ES7 1-methyl-1H-benzimidazol-2-amine × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.231
7H8K 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 ES7 1-methyl-1H-benzimidazol-2-amine × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.231
7H8K 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 ES7 1-methyl-1H-benzimidazol-2-amine × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.231
7H8K 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 ES7 1-methyl-1H-benzimidazol-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.231
7H8L 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 A1AJR 1,2,3,4-tetrahydro-1,5-naphthyridine × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.221
7H8L 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 A1AJR 1,2,3,4-tetrahydro-1,5-naphthyridine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.221
7H8L 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 A1AJR 1,2,3,4-tetrahydro-1,5-naphthyridine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.221
7H8L 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 1 A1AJR 1,2,3,4-tetrahydro-1,5-naphthyridine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.221
7H8M 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 PZA PYRAZINE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.55 Å R-free 0.222
7H8M 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 PZA PYRAZINE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.55 Å R-free 0.222
7H8M 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 PZA PYRAZINE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.55 Å R-free 0.222
7H8M 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 1 PZA PYRAZINE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.55 Å R-free 0.222
7H8N Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z255114686 (CHIKV_MacB-x1260) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 ES5 quinolin-6-amine × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.225
7H8N Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z255114686 (CHIKV_MacB-x1260) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 ES5 quinolin-6-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.225
7H8N Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z255114686 (CHIKV_MacB-x1260) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.225
7H8N Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z255114686 (CHIKV_MacB-x1260) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.225
7H8O Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1203748449 (CHIKV_MacB-x1268) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.47 Å R-free 0.226
7H8O Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1203748449 (CHIKV_MacB-x1268) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 1 EVH 1H-imidazole-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.47 Å R-free 0.226
7H8O Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1203748449 (CHIKV_MacB-x1268) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 EVH 1H-imidazole-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.47 Å R-free 0.226
7H8O Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1203748449 (CHIKV_MacB-x1268) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 EVH 1H-imidazole-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.47 Å R-free 0.226
7H8P 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 ABV 1,3-benzothiazol-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.207
7H8P 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 ABV 1,3-benzothiazol-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.207
7H8P 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 ABV 1,3-benzothiazol-2-amine × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.207
7H8P 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 ABV 1,3-benzothiazol-2-amine × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.207
7H8Q Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1079133092 (CHIKV_MacB-x1278) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.217
7H8Q Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1079133092 (CHIKV_MacB-x1278) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.217
7H8Q Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1079133092 (CHIKV_MacB-x1278) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.217
7H8Q Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1079133092 (CHIKV_MacB-x1278) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 1 92P 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.217
7H8R 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 HLR 1,2-benzoxazol-3-amine × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.223
7H8R 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 HLR 1,2-benzoxazol-3-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.223
7H8R 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.223
7H8R 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 HLR 1,2-benzoxazol-3-amine × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.223
7H8S Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104507896 (CHIKV_MacB-x1298) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.215
7H8S Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104507896 (CHIKV_MacB-x1298) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 CFF CAFFEINE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.215
7H8S Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104507896 (CHIKV_MacB-x1298) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 CFF CAFFEINE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.215
7H8S Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104507896 (CHIKV_MacB-x1298) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 CFF CAFFEINE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.215
7H8T Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z367659362 (CHIKV_MacB-x1299) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.216
7H8T Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z367659362 (CHIKV_MacB-x1299) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 A1AQI 1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.216
7H8T Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z367659362 (CHIKV_MacB-x1299) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 A1AQI 1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.216
7H8T Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z367659362 (CHIKV_MacB-x1299) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 A1AQI 1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.216
7H8U Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104473678 (CHIKV_MacB-x1305) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 BZX 1,3-benzodioxol-5-ol × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.56 Å R-free 0.222
7H8U Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104473678 (CHIKV_MacB-x1305) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 BZX 1,3-benzodioxol-5-ol × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.56 Å R-free 0.222
7H8U Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104473678 (CHIKV_MacB-x1305) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 3 BZX 1,3-benzodioxol-5-ol × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.56 Å R-free 0.222
7H8U Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104473678 (CHIKV_MacB-x1305) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 BZX 1,3-benzodioxol-5-ol × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.56 Å R-free 0.222
7H8V Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z31725206 (CHIKV_MacB-x1315) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 9 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.215
7H8V Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z31725206 (CHIKV_MacB-x1315) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.215
7H8V Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z31725206 (CHIKV_MacB-x1315) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 LAZ N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.215
7H8V Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z31725206 (CHIKV_MacB-x1315) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 1 LAZ N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.38 Å R-free 0.215
7H8W 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 MPB 4-HYDROXY-BENZOIC ACID METHYL ESTER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.212
7H8W 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.212
7H8W 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 MPB 4-HYDROXY-BENZOIC ACID METHYL ESTER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.212
7H8W 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 MPB 4-HYDROXY-BENZOIC ACID METHYL ESTER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.212
7H8X Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57169486 (CHIKV_MacB-x1320) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.222
7H8X Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57169486 (CHIKV_MacB-x1320) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.222
7H8X Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57169486 (CHIKV_MacB-x1320) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.222
7H8X Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57169486 (CHIKV_MacB-x1320) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 1 COU COUMARIN × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.222
7H8Y Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57127903 (CHIKV_MacB-x1331) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 1 ISN ISATIN × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.91 Å R-free 0.258
7H8Y Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57127903 (CHIKV_MacB-x1331) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 ISN ISATIN × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.91 Å R-free 0.258
7H8Y Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57127903 (CHIKV_MacB-x1331) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 ISN ISATIN × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.91 Å R-free 0.258
7H8Y Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57127903 (CHIKV_MacB-x1331) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 1 ISN ISATIN × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.91 Å R-free 0.258
7H8Z Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104511114 (CHIKV_MacB-x1335) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.47 Å R-free 0.220
7H8Z Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104511114 (CHIKV_MacB-x1335) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 4JM 4-(methylsulfanyl)aniline × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.47 Å R-free 0.220
7H8Z Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104511114 (CHIKV_MacB-x1335) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 3 4JM 4-(methylsulfanyl)aniline × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.47 Å R-free 0.220
7H8Z Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104511114 (CHIKV_MacB-x1335) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 4JM 4-(methylsulfanyl)aniline × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.47 Å R-free 0.220
7H90 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.223
7H90 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.223
7H90 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 3 EVD 1-benzofuran-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.223
7H90 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 EVD 1-benzofuran-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.223
7H91 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56347237 (CHIKV_MacB-x1338) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.48 Å R-free 0.215
7H91 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56347237 (CHIKV_MacB-x1338) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 2AQ QUINOLIN-2-AMINE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.48 Å R-free 0.215
7H91 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56347237 (CHIKV_MacB-x1338) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 2AQ QUINOLIN-2-AMINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.48 Å R-free 0.215
7H91 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56347237 (CHIKV_MacB-x1338) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.48 Å R-free 0.215
7H92 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104472798 (CHIKV_MacB-x1353) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.222
7H92 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104472798 (CHIKV_MacB-x1353) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.222
7H92 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104472798 (CHIKV_MacB-x1353) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.222
7H92 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104472798 (CHIKV_MacB-x1353) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 AMT 2-AMINOTHIAZOLE × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.222
7H93 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56889474 (CHIKV_MacB-x1365) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 URA URACIL × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.223
7H93 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56889474 (CHIKV_MacB-x1365) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.223
7H93 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56889474 (CHIKV_MacB-x1365) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 1 URA URACIL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.223
7H93 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56889474 (CHIKV_MacB-x1365) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.223
7H94 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z33546479 (CHIKV_MacB-x1371) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.219
7H94 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z33546479 (CHIKV_MacB-x1371) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.219
7H94 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z33546479 (CHIKV_MacB-x1371) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 WCE 3-CHLORO-BENZAMIDE × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.219
7H94 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z33546479 (CHIKV_MacB-x1371) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.219
7H95 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z239125320 (CHIKV_MacB-x1372) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 5MK 2-azanyl-5-chloranyl-benzamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.247
7H95 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z239125320 (CHIKV_MacB-x1372) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 5MK 2-azanyl-5-chloranyl-benzamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.247
7H95 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z239125320 (CHIKV_MacB-x1372) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 5MK 2-azanyl-5-chloranyl-benzamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.247
7H95 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z239125320 (CHIKV_MacB-x1372) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 5MK 2-azanyl-5-chloranyl-benzamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.247
7H96 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z440625162 (CHIKV_MacB-x1379) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 DBJ 2,3-dihydro-1,4-benzodioxin-5-ylmethanol × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.227
7H96 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z440625162 (CHIKV_MacB-x1379) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 DBJ 2,3-dihydro-1,4-benzodioxin-5-ylmethanol × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.227
7H96 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z440625162 (CHIKV_MacB-x1379) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 1 DBJ 2,3-dihydro-1,4-benzodioxin-5-ylmethanol × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.227
7H96 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z440625162 (CHIKV_MacB-x1379) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 DBJ 2,3-dihydro-1,4-benzodioxin-5-ylmethanol × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.227
7H97 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z276614452 (CHIKV_MacB-x1397) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 LZ1 1H-indazole × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.218
7H97 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z276614452 (CHIKV_MacB-x1397) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.218
7H97 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z276614452 (CHIKV_MacB-x1397) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.218
7H97 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z276614452 (CHIKV_MacB-x1397) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 LZ1 1H-indazole × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.218
7H98 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z271099378 (CHIKV_MacB-x1402) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 GVH 1H-PYRROLO[2,3-B]PYRIDINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.225
7H98 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z271099378 (CHIKV_MacB-x1402) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 GVH 1H-PYRROLO[2,3-B]PYRIDINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.225
7H98 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z271099378 (CHIKV_MacB-x1402) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 1 GVH 1H-PYRROLO[2,3-B]PYRIDINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.225
7H98 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z271099378 (CHIKV_MacB-x1402) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 GVH 1H-PYRROLO[2,3-B]PYRIDINE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.225
7H99 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104475374 (CHIKV_MacB-x1406) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 LG4 5-METHYLPYRIDIN-2-AMINE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.210
7H99 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104475374 (CHIKV_MacB-x1406) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 LG4 5-METHYLPYRIDIN-2-AMINE × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.210
7H99 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104475374 (CHIKV_MacB-x1406) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.210
7H99 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104475374 (CHIKV_MacB-x1406) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.43 Å R-free 0.210
7H9A Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56899125 (CHIKV_MacB-x1410) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 FBB 6-fluoro-1,3-benzothiazol-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.63 Å R-free 0.238
7H9A Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56899125 (CHIKV_MacB-x1410) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 FBB 6-fluoro-1,3-benzothiazol-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.63 Å R-free 0.238
7H9A Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56899125 (CHIKV_MacB-x1410) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 FBB 6-fluoro-1,3-benzothiazol-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.63 Å R-free 0.238
7H9A Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56899125 (CHIKV_MacB-x1410) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 FBB 6-fluoro-1,3-benzothiazol-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.63 Å R-free 0.238
7H9B Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1201619441 (CHIKV_MacB-x1417) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 DEE 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.61 Å R-free 0.222
7H9B Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1201619441 (CHIKV_MacB-x1417) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 CL CHLORIDE ION × 2 DEE 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.61 Å R-free 0.222
7H9B Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1201619441 (CHIKV_MacB-x1417) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 DEE 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.61 Å R-free 0.222
7H9B Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1201619441 (CHIKV_MacB-x1417) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 DEE 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.61 Å R-free 0.222
7H9C 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 A1AQJ (3-hydroxyphenyl)(morpholin-4-yl)methanone × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.218
7H9C 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.218
7H9C 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 A1AQJ (3-hydroxyphenyl)(morpholin-4-yl)methanone × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.218
7H9C 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) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.218
7H9D Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z728187792 (CHIKV_MacB-x1423) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.237
7H9D Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z728187792 (CHIKV_MacB-x1423) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.237
7H9D Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z728187792 (CHIKV_MacB-x1423) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 4FL 4-(1H-imidazol-2-yl)pyridine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.237
7H9D Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z728187792 (CHIKV_MacB-x1423) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.237
7H9E Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z234895085 (CHIKV_MacB-x1431) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.216
7H9E Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z234895085 (CHIKV_MacB-x1431) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 4FS quinolin-3-amine × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.216
7H9E Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z234895085 (CHIKV_MacB-x1431) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.216
7H9E Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z234895085 (CHIKV_MacB-x1431) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 4FS quinolin-3-amine × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.216
7H9F Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z415653738 (CHIKV_MacB-x1435) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.61 Å R-free 0.243
7H9F Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z415653738 (CHIKV_MacB-x1435) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.61 Å R-free 0.243
7H9F Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z415653738 (CHIKV_MacB-x1435) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 2 W6D 1H-indole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.61 Å R-free 0.243
7H9F Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z415653738 (CHIKV_MacB-x1435) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.61 Å R-free 0.243
7H9G Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1203162487 (CHIKV_MacB-x1440) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 CL CHLORIDE ION × 3 1SQ ISOQUINOLIN-1-AMINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.224
7H9G Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1203162487 (CHIKV_MacB-x1440) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 1SQ ISOQUINOLIN-1-AMINE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.224
7H9G Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1203162487 (CHIKV_MacB-x1440) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 1SQ ISOQUINOLIN-1-AMINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.224
7H9G Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1203162487 (CHIKV_MacB-x1440) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 1SQ ISOQUINOLIN-1-AMINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.53 Å R-free 0.224
7H9H Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z55692894 (CHIKV_MacB-x1444) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 8P7 2-methyl-1~{H}-benzimidazole × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.225
7H9H Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z55692894 (CHIKV_MacB-x1444) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 8P7 2-methyl-1~{H}-benzimidazole × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.225
7H9H Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z55692894 (CHIKV_MacB-x1444) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.225
7H9H Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z55692894 (CHIKV_MacB-x1444) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 8P7 2-methyl-1~{H}-benzimidazole × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.225
7H9I Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z68590124 (CHIKV_MacB-x1445) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 OHB salicylamide × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.216
7H9I Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z68590124 (CHIKV_MacB-x1445) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 OHB salicylamide × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.216
7H9I Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z68590124 (CHIKV_MacB-x1445) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 1 OHB salicylamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.216
7H9I Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z68590124 (CHIKV_MacB-x1445) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 OHB salicylamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.49 Å R-free 0.216
7H9J Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57376600 (CHIKV_MacB-x1454) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 4JO 5-bromo-6-methylpyridin-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.88 Å R-free 0.309
7H9J Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57376600 (CHIKV_MacB-x1454) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 4JO 5-bromo-6-methylpyridin-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.88 Å R-free 0.309
7H9J Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57376600 (CHIKV_MacB-x1454) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 4JO 5-bromo-6-methylpyridin-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.88 Å R-free 0.309
7H9J Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57376600 (CHIKV_MacB-x1454) 提交 2024-04-26 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 4JO 5-bromo-6-methylpyridin-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.88 Å R-free 0.309
7HIA Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with ASAP-0014722-001 (CHIKV_MacB-x2182) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 A1AMU (2S,3S)-3-(4-bromophenyl)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.214
7HIA Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with ASAP-0014722-001 (CHIKV_MacB-x2182) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 A1AMU (2S,3S)-3-(4-bromophenyl)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.214
7HIA Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with ASAP-0014722-001 (CHIKV_MacB-x2182) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 A1AMU (2S,3S)-3-(4-bromophenyl)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.214
7HIA Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with ASAP-0014722-001 (CHIKV_MacB-x2182) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 A1AMU (2S,3S)-3-(4-bromophenyl)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.54 Å R-free 0.214
7HIB Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with ASAP-0015381-001 (CHIKV_MacB-x2183) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 CL CHLORIDE ION × 1 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 A1AK0 N-[(1R)-1-(4-methoxyphenyl)-2-(1H-tetrazol-5-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.58 Å R-free 0.218
7HIB Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with ASAP-0015381-001 (CHIKV_MacB-x2183) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 A1AK0 N-[(1R)-1-(4-methoxyphenyl)-2-(1H-tetrazol-5-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.58 Å R-free 0.218
7HIB Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with ASAP-0015381-001 (CHIKV_MacB-x2183) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 CL CHLORIDE ION × 1 DMS DIMETHYL SULFOXIDE × 2 A1AK0 N-[(1R)-1-(4-methoxyphenyl)-2-(1H-tetrazol-5-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.58 Å R-free 0.218
7HIB Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with ASAP-0015381-001 (CHIKV_MacB-x2183) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 A1AK0 N-[(1R)-1-(4-methoxyphenyl)-2-(1H-tetrazol-5-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.58 Å R-free 0.218
7HIC Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z1267773765 (CHIKV_MacB-x1483) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.68 Å R-free 0.216
7HIC Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z1267773765 (CHIKV_MacB-x1483) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.68 Å R-free 0.216
7HIC Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z1267773765 (CHIKV_MacB-x1483) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 2 A1BB3 (3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one × 1 K34 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.68 Å R-free 0.216
7HIC Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z1267773765 (CHIKV_MacB-x1483) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.68 Å R-free 0.216
7HID Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z50145861 (CHIKV_MacB-x1487) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 W1P 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.222
7HID Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z50145861 (CHIKV_MacB-x1487) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 CL CHLORIDE ION × 1 W1P 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one × 1 K34 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.222
7HID Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z50145861 (CHIKV_MacB-x1487) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 2 W1P 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one × 1 K34 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.222
7HID Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z50145861 (CHIKV_MacB-x1487) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 W1P 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one × 1 K34 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.222
7HIE Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z905065822 (CHIKV_MacB-x1488) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.210
7HIE Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z905065822 (CHIKV_MacB-x1488) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 ZV5 (5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.210
7HIE Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z905065822 (CHIKV_MacB-x1488) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 K34 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole × 1 A1AP9 (5S)-1,3,7-triazaspiro[4.5]decane-2,4-dione × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.210
7HIE Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z905065822 (CHIKV_MacB-x1488) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.35 Å R-free 0.210
7HIF Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z33546965 (CHIKV_MacB-x1491) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 ONQ ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.51 Å R-free 0.230
7HIF Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z33546965 (CHIKV_MacB-x1491) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 1 ONQ ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.51 Å R-free 0.230
7HIF Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z33546965 (CHIKV_MacB-x1491) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 2 ONQ ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide × 1 K34 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.51 Å R-free 0.230
7HIF Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z33546965 (CHIKV_MacB-x1491) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.51 Å R-free 0.230
7HIG Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z1165350851 (CHIKV_MacB-x1495) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 A1AJZ 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.208
7HIG Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z1165350851 (CHIKV_MacB-x1495) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.208
7HIG Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z1165350851 (CHIKV_MacB-x1495) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 A1AJZ 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one × 1 K34 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.208
7HIG Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z1165350851 (CHIKV_MacB-x1495) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.39 Å R-free 0.208
7HIH Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z3219959731 and Z4628744292 (CHIKV_MacB-x1689) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 XJV imidazolidin-2-one × 1 W3G pyridazin-3(2H)-one × 2 A1AP7 4-(4-methyl-1H-pyrazol-5-yl)pyridine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.224
7HIH Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z3219959731 and Z4628744292 (CHIKV_MacB-x1689) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 XJV imidazolidin-2-one × 1 W3G pyridazin-3(2H)-one × 1 A1AP7 4-(4-methyl-1H-pyrazol-5-yl)pyridine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.224
7HIH Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z3219959731 and Z4628744292 (CHIKV_MacB-x1689) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 1 W3G pyridazin-3(2H)-one × 1 A1AP7 4-(4-methyl-1H-pyrazol-5-yl)pyridine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.224
7HIH Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z3219959731 and Z4628744292 (CHIKV_MacB-x1689) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 XJV imidazolidin-2-one × 1 W3G pyridazin-3(2H)-one × 2 A1AP7 4-(4-methyl-1H-pyrazol-5-yl)pyridine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.224
7HII Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z3219959731 and Z19674820 (CHIKV_MacB-x1734) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 XJV imidazolidin-2-one × 1 MPB 4-HYDROXY-BENZOIC ACID METHYL ESTER × 1 W3G pyridazin-3(2H)-one × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.217
7HII Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z3219959731 and Z19674820 (CHIKV_MacB-x1734) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 XJV imidazolidin-2-one × 1 W3G pyridazin-3(2H)-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.217
7HII Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z3219959731 and Z19674820 (CHIKV_MacB-x1734) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 2 W3G pyridazin-3(2H)-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.217
7HII Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z3219959731 and Z19674820 (CHIKV_MacB-x1734) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 XJV imidazolidin-2-one × 1 W3G pyridazin-3(2H)-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.50 Å R-free 0.217
7HIJ Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z362020366 and Z4628744292 (CHIKV_MacB-x1739) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 XJV imidazolidin-2-one × 1 A1AP7 4-(4-methyl-1H-pyrazol-5-yl)pyridine × 1 W3S [1,2,4]triazolo[4,3-a]pyridin-3-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.215
7HIJ Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z362020366 and Z4628744292 (CHIKV_MacB-x1739) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 XJV imidazolidin-2-one × 1 A1AP7 4-(4-methyl-1H-pyrazol-5-yl)pyridine × 1 W3S [1,2,4]triazolo[4,3-a]pyridin-3-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.215
7HIJ Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z362020366 and Z4628744292 (CHIKV_MacB-x1739) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 XJV imidazolidin-2-one × 1 A1AP7 4-(4-methyl-1H-pyrazol-5-yl)pyridine × 1 W3S [1,2,4]triazolo[4,3-a]pyridin-3-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.215
7HIJ Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z362020366 and Z4628744292 (CHIKV_MacB-x1739) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 XJV imidazolidin-2-one × 1 A1AP7 4-(4-methyl-1H-pyrazol-5-yl)pyridine × 1 W3S [1,2,4]triazolo[4,3-a]pyridin-3-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.46 Å R-free 0.215
7HIK Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z362020366 and Z19674820 (CHIKV_MacB-x1742) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 XJV imidazolidin-2-one × 1 W3S [1,2,4]triazolo[4,3-a]pyridin-3-amine × 1 MPB 4-HYDROXY-BENZOIC ACID METHYL ESTER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.51 Å R-free 0.223
7HIK Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z362020366 and Z19674820 (CHIKV_MacB-x1742) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 XJV imidazolidin-2-one × 1 W3S [1,2,4]triazolo[4,3-a]pyridin-3-amine × 1 MPB 4-HYDROXY-BENZOIC ACID METHYL ESTER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.51 Å R-free 0.223
7HIK Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z362020366 and Z19674820 (CHIKV_MacB-x1742) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 W3S [1,2,4]triazolo[4,3-a]pyridin-3-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.51 Å R-free 0.223
7HIK Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z362020366 and Z19674820 (CHIKV_MacB-x1742) 提交 2024-10-02 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 XJV imidazolidin-2-one × 1 W3S [1,2,4]triazolo[4,3-a]pyridin-3-amine × 1 MPB 4-HYDROXY-BENZOIC ACID METHYL ESTER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.51 Å R-free 0.223
7HIL Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188488-01 (CHIKV_MacB-x2129) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 A1BCF 1-ethyl-N-methyl-6-oxo-N-[(1,3-thiazol-2-yl)methyl]-1,6-dihydropyridazine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.65 Å R-free 0.197
7HIL Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188488-01 (CHIKV_MacB-x2129) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 A1BCF 1-ethyl-N-methyl-6-oxo-N-[(1,3-thiazol-2-yl)methyl]-1,6-dihydropyridazine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.65 Å R-free 0.197
7HIL Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188488-01 (CHIKV_MacB-x2129) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 A1BCF 1-ethyl-N-methyl-6-oxo-N-[(1,3-thiazol-2-yl)methyl]-1,6-dihydropyridazine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.65 Å R-free 0.197
7HIL Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188488-01 (CHIKV_MacB-x2129) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 A1BCF 1-ethyl-N-methyl-6-oxo-N-[(1,3-thiazol-2-yl)methyl]-1,6-dihydropyridazine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.65 Å R-free 0.197
7HIM Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188465-01 (CHIKV_MacB-x2188) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 CL CHLORIDE ION × 3 A1BCG 2-(2-oxopyridin-1(2H)-yl)ethyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.74 Å R-free 0.209
7HIM Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188465-01 (CHIKV_MacB-x2188) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.74 Å R-free 0.209
7HIM Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188465-01 (CHIKV_MacB-x2188) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.74 Å R-free 0.209
7HIM Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188465-01 (CHIKV_MacB-x2188) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.74 Å R-free 0.209
7HIN Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188476-02 (CHIKV_MacB-x2343) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 9 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.204
7HIN Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188476-02 (CHIKV_MacB-x2343) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.204
7HIN Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188476-02 (CHIKV_MacB-x2343) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 A1BCH 1-({5-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.204
7HIN Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188476-02 (CHIKV_MacB-x2343) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.204
7HIO Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188499-02 (CHIKV_MacB-x2344) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.198
7HIO Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188499-02 (CHIKV_MacB-x2344) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 A1BCI 1-({5-[(4-iodophenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.198
7HIO Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188499-02 (CHIKV_MacB-x2344) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.198
7HIO Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188499-02 (CHIKV_MacB-x2344) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.198
7HIP Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188485-02(CHIKV_MacB-x2346) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 9 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.204
7HIP Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188485-02(CHIKV_MacB-x2346) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.204
7HIP Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188485-02(CHIKV_MacB-x2346) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 A1BCJ 1-({5-[(1R)-1-(4-bromophenyl)ethyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.204
7HIP Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188485-02(CHIKV_MacB-x2346) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.204
7HIQ Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188437-02 (CHIKV_MacB-x2350) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 A1BCK N-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]thiophene-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.52 Å R-free 0.212
7HIQ Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188437-02 (CHIKV_MacB-x2350) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 2 A1BCK N-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]thiophene-2-carboxamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.52 Å R-free 0.212
7HIQ Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188437-02 (CHIKV_MacB-x2350) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.52 Å R-free 0.212
7HIQ Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188437-02 (CHIKV_MacB-x2350) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 A1BCK N-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]thiophene-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.52 Å R-free 0.212
7HIR Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188468-02 (CHIKV_MacB-x2352) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.202
7HIR Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188468-02 (CHIKV_MacB-x2352) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.202
7HIR Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188468-02 (CHIKV_MacB-x2352) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 3 A1BCM 5-({3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)pyridin-2-amine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.202
7HIR Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188468-02 (CHIKV_MacB-x2352) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.40 Å R-free 0.202
7HIS Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188455-02 (CHIKV_MacB-x2364) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 A1BCN N-(4-oxo-1,4-dihydropyrimidin-2-yl)-1,3-thiazole-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.207
7HIS Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188455-02 (CHIKV_MacB-x2364) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 CL CHLORIDE ION × 1 A1BCN N-(4-oxo-1,4-dihydropyrimidin-2-yl)-1,3-thiazole-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.207
7HIS Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188455-02 (CHIKV_MacB-x2364) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.207
7HIS Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188455-02 (CHIKV_MacB-x2364) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 1 A1BCN N-(4-oxo-1,4-dihydropyrimidin-2-yl)-1,3-thiazole-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.42 Å R-free 0.207
7HIT Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188454-02 (CHIKV_MacB-x2370) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.51 Å R-free 0.213
7HIT Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188454-02 (CHIKV_MacB-x2370) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 A1BCO 2-methyl-N-{[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl}-1H-pyrrole-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.51 Å R-free 0.213
7HIT Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188454-02 (CHIKV_MacB-x2370) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 6 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.51 Å R-free 0.213
7HIT Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188454-02 (CHIKV_MacB-x2370) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.51 Å R-free 0.213
7HIU Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188492-02 (CHIKV_MacB-x2399) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 9 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.216
7HIU Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188492-02 (CHIKV_MacB-x2399) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.216
7HIU Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188492-02 (CHIKV_MacB-x2399) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 A1BCP 1-({5-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.216
7HIU Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188492-02 (CHIKV_MacB-x2399) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.44 Å R-free 0.216
7HIV Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188495-02 (CHIKV_MacB-x2431) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.207
7HIV Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188495-02 (CHIKV_MacB-x2431) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 A1BCQ 1-({5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.207
7HIV Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188495-02 (CHIKV_MacB-x2431) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.207
7HIV Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188495-02 (CHIKV_MacB-x2431) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 5 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.207
7HIW Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188504-02 (CHIKV_MacB-x2437) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.206
7HIW Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188504-02 (CHIKV_MacB-x2437) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.206
7HIW Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188504-02 (CHIKV_MacB-x2437) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 A1BCR N-[(6-oxo-1,6-dihydropyridazin-3-yl)methyl]-1,3-thiazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.206
7HIW Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188504-02 (CHIKV_MacB-x2437) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.41 Å R-free 0.206
7HIX Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188504-02 (CHIKV_MacB-x2438) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 9 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.218
7HIX Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188504-02 (CHIKV_MacB-x2438) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.218
7HIX Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188504-02 (CHIKV_MacB-x2438) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.218
7HIX Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188504-02 (CHIKV_MacB-x2438) 提交 2024-10-04 配体/离子不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
未记录 DMS DIMETHYL SULFOXIDE × 2 A1BCR N-[(6-oxo-1,6-dihydropyridazin-3-yl)methyl]-1,3-thiazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；0.1 M Potassium thiocyanate, 0.1 M Sodium bromide, 0.1 M Tris, pH 7.8, 25 % PEG Smear Broad
分辨率 1.45 Å R-free 0.218
7P27 NMR solution structure of Chikungunya virus macro domain 提交 2021-07-04 构建体不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa）
未记录 未记录非水小分子 SOLUTION NMR
NMR测量条件 pH 7；298 K；离子强度（mmCIF原始值）20；压力 1
NMR样品组成 0.6 mM [U-99% 15N] Chikungunya virus macro domain, 20 mM no sodium chloride, 10 mM no HEPES, 2 mM no DTT, 2 mM no EDTA, 0.25 mM no DSS, 10 % no D2O, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成 0.6 mM [U-99% 13C; U-99% 15N] Chikungunya virus macro domain, 20 mM no sodium chloride, 10 mM no HEPES, 2 mM no DTT, 2 mM no EDTA, 0.25 mM no DSS, 10 % no D2O, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成 0.3 mM no Chikungunya virus macro domain, 20 mM no sodium chloride, 2 mM no HEPES, 2 mM no DTT, 2 mM no EDTA, 0.25 mM no DSS, 10 % no D2O, 90% H2O/10% D2O | 90% H2O/10% D2O
分辨率未提供
7X01 Cryo-EM Structure of Chikungunya Virus Nonstructural Protein 1 with inhibitor FHA 提交 2022-02-20 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 12 PDB 声明：dodecameric
链 A 1–516（516 aa）
链 B 1–516（516 aa）
链 C 1–516（516 aa）
链 D 1–516（516 aa）
链 E 1–516（516 aa）
链 F 1–516（516 aa）
链 G 1–516（516 aa）
链 H 1–516（516 aa）
链 I 1–516（516 aa）
链 J 1–516（516 aa）
链 K 1–516（516 aa）
链 L 1–516（516 aa）
未记录 ZN ZINC ION × 12 7XQ (1R,2S,3S,4R,5R)-3-(6-aminopurin-9-yl)-4-fluoranyl-5-(2-hydroxyethyl)cyclopentane-1,2-diol × 12 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 7.5
cryo-EM玻璃化条件 冷冻剂 ETHANE
分辨率 2.62 Å
7Y38 Molecular architecture of the chikungunya virus replication complex 提交 2022-06-10 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白–RNA 异源复合物；蛋白 × 14 PDB 声明：pentadecameric
链 A 1–516（516 aa）
链 A 517–534（18 aa）
链 B 1–516（516 aa）
链 B 517–534（18 aa）
链 C 1–516（516 aa）
链 C 517–534（18 aa）
链 D 1–516（516 aa）
链 D 517–534（18 aa）
链 E 1–516（516 aa）
链 E 517–534（18 aa）
链 F 1–516（516 aa）
链 F 517–534（18 aa）
链 G 1–516（516 aa）
链 G 517–534（18 aa）
链 H 1–516（516 aa）
链 H 517–534（18 aa）
链 I 1–516（516 aa）
链 I 517–534（18 aa）
链 J 1–516（516 aa）
链 J 517–534（18 aa）
链 K 1–516（516 aa）
链 K 517–534（18 aa）
链 L 1–516（516 aa）
链 L 517–534（18 aa）
链 Y 536–1333（798 aa）
突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A ZN ZINC ION × 12 ATP ADENOSINE-5'-TRIPHOSPHATE × 12 GTP GUANOSINE-5'-TRIPHOSPHATE × 12 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 8；25mM HEPES, 75mM NaCl, 20mM KCl, 5mM MgOAc, 2.5mM MnCl2, 5mM TCEP, 1.25% Sucrose, pH8
cryo-EM玻璃化条件 冷冻剂 ETHANE；wait 45s, blot 2s at force -2
分辨率 2.80 Å
8AOV CryoEM structure of the Chikungunya virus nsP1 capping pores in complex with GTP 提交 2022-08-08 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 12 PDB 声明：dodecameric
链 A 1–535（535 aa）
链 C 1–535（535 aa）
链 E 1–535（535 aa）
链 G 1–535（535 aa）
链 I 1–535（535 aa）
链 K 1–535（535 aa）
链 M 1–535（535 aa）
链 O 1–535（535 aa）
链 Q 1–535（535 aa）
链 S 1–535（535 aa）
链 V 1–535（535 aa）
链 X 1–535（535 aa）
未记录 ZN ZINC ION × 12 GTP GUANOSINE-5'-TRIPHOSPHATE × 12 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 7.6
cryo-EM玻璃化条件 冷冻剂 ETHANE；blot force zero 3 seconds, 3ul sample volume
分辨率 2.48 Å
8AOW CryoEM structure of the Chikungunya virus nsP1 capping pores in complex with m7GTP and SAH ligands 提交 2022-08-08 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 12 PDB 声明：dodecameric
链 A 1–535（535 aa）
链 C 1–535（535 aa）
链 E 1–535（535 aa）
链 G 1–535（535 aa）
链 I 1–535（535 aa）
链 K 1–535（535 aa）
链 M 1–535（535 aa）
链 O 1–535（535 aa）
链 Q 1–535（535 aa）
链 S 1–535（535 aa）
链 V 1–535（535 aa）
链 X 1–535（535 aa）
未记录 ZN ZINC ION × 12 SAH S-ADENOSYL-L-HOMOCYSTEINE × 12 MGP 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE × 12 MG MAGNESIUM ION × 24 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 7.6
cryo-EM玻璃化条件 冷冻剂 ETHANE
分辨率 2.70 Å
8AOX CryoEM structure of the Chikungunya virus nsP1 capping pores in complex with SAM 提交 2022-08-08 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 24 PDB 声明：24-meric
链 A 1–535（535 aa）
链 BA 1–535（535 aa）
链 C 1–535（535 aa）
链 DA 1–535（535 aa）
链 E 1–535（535 aa）
链 FA 1–535（535 aa）
链 G 1–535（535 aa）
链 HA 1–535（535 aa）
链 I 1–535（535 aa）
链 JA 1–535（535 aa）
链 K 1–535（535 aa）
链 LA 1–535（535 aa）
链 M 1–535（535 aa）
链 NA 1–535（535 aa）
链 O 1–535（535 aa）
链 PA 1–535（535 aa）
链 Q 1–535（535 aa）
链 RA 1–535（535 aa）
链 S 1–535（535 aa）
链 TA 1–535（535 aa）
链 V 1–535（535 aa）
链 VA 1–535（535 aa）
链 X 1–535（535 aa）
链 Z 1–535（535 aa）
未记录 ZN ZINC ION × 24 SAM S-ADENOSYLMETHIONINE × 24 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 7.6
cryo-EM玻璃化条件 冷冻剂 ETHANE
分辨率 2.80 Å
8APX CryoEM structure of the Chikungunya virus nsP1 capping pores in covalent complex with a 7GMP cap structure 提交 2022-08-10 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 12 PDB 声明：dodecameric
链 A 1–469（469 aa）
链 B 1–469（469 aa）
链 C 1–469（469 aa）
链 D 1–469（469 aa）
链 E 1–469（469 aa）
链 F 1–469（469 aa）
链 G 1–469（469 aa）
链 H 1–469（469 aa）
链 I 1–469（469 aa）
链 J 1–469（469 aa）
链 K 1–469（469 aa）
链 L 1–469（469 aa）
非标准单体：是（mmCIF未提供具体位点） 非标准单体：是（mmCIF未提供具体位点） 非标准单体：是（mmCIF未提供具体位点） 非标准单体：是（mmCIF未提供具体位点） 非标准单体：是（mmCIF未提供具体位点） 非标准单体：是（mmCIF未提供具体位点） 非标准单体：是（mmCIF未提供具体位点） 非标准单体：是（mmCIF未提供具体位点） 非标准单体：是（mmCIF未提供具体位点） 非标准单体：是（mmCIF未提供具体位点） 非标准单体：是（mmCIF未提供具体位点） 非标准单体：是（mmCIF未提供具体位点） ZN ZINC ION × 12 SAH S-ADENOSYL-L-HOMOCYSTEINE × 12 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 7.6
cryo-EM玻璃化条件 冷冻剂 ETHANE
分辨率 3.20 Å
8AXV Structure of an open form of CHIKV nsP1 capping pores 提交 2022-09-01 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 12 PDB 声明：dodecameric
链 A 1–535（535 aa）
链 B 1–535（535 aa）
链 C 1–535（535 aa）
链 D 1–535（535 aa）
链 E 1–535（535 aa）
链 F 1–535（535 aa）
链 G 1–535（535 aa）
链 H 1–535（535 aa）
链 I 1–535（535 aa）
链 J 1–535（535 aa）
链 K 1–535（535 aa）
链 L 1–535（535 aa）
未记录 ZN ZINC ION × 12 MY6 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one × 12 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 7.6
cryo-EM玻璃化条件 冷冻剂 ETHANE；Sample was incubated with an RNA with a 5' methyl guanosine cap prior to vitrification
分辨率 2.80 Å
8JCE Cryo-EM Structure of Chikungunya Virus Nonstructural Protein 1 with m7GpppAmU 提交 2023-05-11 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 12 PDB 声明：dodecameric
链 A 1–516（516 aa）
链 B 1–516（516 aa）
链 C 1–516（516 aa）
链 D 1–516（516 aa）
链 E 1–516（516 aa）
链 F 1–516（516 aa）
链 G 1–516（516 aa）
链 H 1–516（516 aa）
链 I 1–516（516 aa）
链 J 1–516（516 aa）
链 K 1–516（516 aa）
链 L 1–516（516 aa）
突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A 突变：H37A ZN ZINC ION × 12 SAH S-ADENOSYL-L-HOMOCYSTEINE × 12 YG4 [(2~{R},3~{R},4~{R},5~{R})-5-(6-azanyl-7,8-dihydropurin-9-yl)-2-[[[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-methoxy-oxolan-3-yl] [(2~{R},3~{S},4~{R},5~{S})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 12 MG MAGNESIUM ION × 12 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 7.5
cryo-EM玻璃化条件 冷冻剂 ETHANE
分辨率 2.41 Å
8PHZ Helical reconstruction of CHIKV nsP3 helical scaffolds 提交 2023-06-20 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 5 PDB 声明：pentameric
链 A 1334–1856（523 aa）
链 B 1334–1856（523 aa）
链 C 1334–1856（523 aa）
链 D 1334–1856（523 aa）
链 E 1334–1856（523 aa）
未记录 ZN ZINC ION × 5 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 7.5
cryo-EM玻璃化条件 冷冻剂 ETHANE-PROPANE
分辨率 2.35 Å
8PK7 Helical reconstruction of CHIKV nsP3 helical scaffolds 提交 2023-06-25 构建体不同 聚集状态不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 53 PDB 声明：monomeric
链 A 1334–1856（523 aa）
未记录 ZN ZINC ION × 53 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 7.5
cryo-EM玻璃化条件 冷冻剂 ETHANE-PROPANE
分辨率 2.52 Å
9YHC Crystal structure of Chikungunya virus nsP3 macrodomain D31H mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
突变：D31H EDO 1,2-ETHANEDIOL × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 5 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；0.1 M Sodium malonate dibasic monohydrate pH 7, 24% (w/v) PEG 3350
分辨率 1.35 Å R-free 0.172
9YHC Crystal structure of Chikungunya virus nsP3 macrodomain D31H mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
突变：D31H EDO 1,2-ETHANEDIOL × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；0.1 M Sodium malonate dibasic monohydrate pH 7, 24% (w/v) PEG 3350
分辨率 1.35 Å R-free 0.172
9YHC Crystal structure of Chikungunya virus nsP3 macrodomain D31H mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
突变：D31H EDO 1,2-ETHANEDIOL × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；0.1 M Sodium malonate dibasic monohydrate pH 7, 24% (w/v) PEG 3350
分辨率 1.35 Å R-free 0.172
9YHC Crystal structure of Chikungunya virus nsP3 macrodomain D31H mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
突变：D31H EDO 1,2-ETHANEDIOL × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；0.1 M Sodium malonate dibasic monohydrate pH 7, 24% (w/v) PEG 3350
分辨率 1.35 Å R-free 0.172
9YHD Crystal structure of Chikungunya virus nsP3 macrodomain D31N mutant (P41 crystal form) in complex with ADP-ribose 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
突变：D31N 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；0.1 M Sodium malonate dibasic monohydrate pH 7, 24% (w/v) PEG 3350
分辨率 1.81 Å R-free 0.249
9YHD Crystal structure of Chikungunya virus nsP3 macrodomain D31N mutant (P41 crystal form) in complex with ADP-ribose 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
突变：D31N 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；0.1 M Sodium malonate dibasic monohydrate pH 7, 24% (w/v) PEG 3350
分辨率 1.81 Å R-free 0.249
9YHD Crystal structure of Chikungunya virus nsP3 macrodomain D31N mutant (P41 crystal form) in complex with ADP-ribose 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
突变：D31N 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；0.1 M Sodium malonate dibasic monohydrate pH 7, 24% (w/v) PEG 3350
分辨率 1.81 Å R-free 0.249
9YHD Crystal structure of Chikungunya virus nsP3 macrodomain D31N mutant (P41 crystal form) in complex with ADP-ribose 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
突变：D31N APR ADENOSINE-5-DIPHOSPHORIBOSE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；0.1 M Sodium malonate dibasic monohydrate pH 7, 24% (w/v) PEG 3350
分辨率 1.81 Å R-free 0.249
9YHE Crystal structure of Chikungunya virus nsP3 macrodomain D31N mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
突变：D31N EDO 1,2-ETHANEDIOL × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.1 M Calcium chloride dihydrate, 20% (w/v) PEG 6000, 10% (v/v) Ethylene glycol
分辨率 1.35 Å R-free 0.166
9YHE Crystal structure of Chikungunya virus nsP3 macrodomain D31N mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
突变：D31N EDO 1,2-ETHANEDIOL × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.1 M Calcium chloride dihydrate, 20% (w/v) PEG 6000, 10% (v/v) Ethylene glycol
分辨率 1.35 Å R-free 0.166
9YHE Crystal structure of Chikungunya virus nsP3 macrodomain D31N mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
突变：D31N EDO 1,2-ETHANEDIOL × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.1 M Calcium chloride dihydrate, 20% (w/v) PEG 6000, 10% (v/v) Ethylene glycol
分辨率 1.35 Å R-free 0.166
9YHE Crystal structure of Chikungunya virus nsP3 macrodomain D31N mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
突变：D31N EDO 1,2-ETHANEDIOL × 3 CA CALCIUM ION × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.1 M Calcium chloride dihydrate, 20% (w/v) PEG 6000, 10% (v/v) Ethylene glycol
分辨率 1.35 Å R-free 0.166
9YHF Crystal structure of Chikungunya virus nsP3 macrodomain D31N mutant (P41 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
突变：D31N 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；0.2 M Sodium malonate dibasic monohydrate pH 7, 20% (w/v) PEG 3350
分辨率 1.41 Å R-free 0.188
9YHF Crystal structure of Chikungunya virus nsP3 macrodomain D31N mutant (P41 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
突变：D31N 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；0.2 M Sodium malonate dibasic monohydrate pH 7, 20% (w/v) PEG 3350
分辨率 1.41 Å R-free 0.188
9YHF Crystal structure of Chikungunya virus nsP3 macrodomain D31N mutant (P41 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
突变：D31N 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；0.2 M Sodium malonate dibasic monohydrate pH 7, 20% (w/v) PEG 3350
分辨率 1.41 Å R-free 0.188
9YHF Crystal structure of Chikungunya virus nsP3 macrodomain D31N mutant (P41 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
突变：D31N 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；0.2 M Sodium malonate dibasic monohydrate pH 7, 20% (w/v) PEG 3350
分辨率 1.41 Å R-free 0.188
9YHH Crystal structure of Chikungunya virus nsP3 macrodomain N24A mutant (P31 crystal form) in complex with ADP-ribose 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
突变：N24A APR ADENOSINE-5-DIPHOSPHORIBOSE × 1 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1 IPA ISOPROPYL ALCOHOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.6；292 K；0.095 M citrate pH 5.6, 19% iso-Propanol, 19% PEG 4000, 5% Glycerol
分辨率 1.37 Å R-free 0.188
9YHH Crystal structure of Chikungunya virus nsP3 macrodomain N24A mutant (P31 crystal form) in complex with ADP-ribose 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
突变：N24A APR ADENOSINE-5-DIPHOSPHORIBOSE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.6；292 K；0.095 M citrate pH 5.6, 19% iso-Propanol, 19% PEG 4000, 5% Glycerol
分辨率 1.37 Å R-free 0.188
9YHH Crystal structure of Chikungunya virus nsP3 macrodomain N24A mutant (P31 crystal form) in complex with ADP-ribose 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
突变：N24A APR ADENOSINE-5-DIPHOSPHORIBOSE × 1 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1 IPA ISOPROPYL ALCOHOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.6；292 K；0.095 M citrate pH 5.6, 19% iso-Propanol, 19% PEG 4000, 5% Glycerol
分辨率 1.37 Å R-free 0.188
9YHH Crystal structure of Chikungunya virus nsP3 macrodomain N24A mutant (P31 crystal form) in complex with ADP-ribose 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
突变：N24A APR ADENOSINE-5-DIPHOSPHORIBOSE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.6；292 K；0.095 M citrate pH 5.6, 19% iso-Propanol, 19% PEG 4000, 5% Glycerol
分辨率 1.37 Å R-free 0.188
9YHI Crystal structure of Chikungunya virus nsP3 macrodomain N24A mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
突变：N24A CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M di-ammonium hydrogen citrate, 20% (w/v) PEG 3350
分辨率 1.43 Å R-free 0.177
9YHI Crystal structure of Chikungunya virus nsP3 macrodomain N24A mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 实验环境不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
突变：N24A CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M di-ammonium hydrogen citrate, 20% (w/v) PEG 3350
分辨率 1.43 Å R-free 0.177
9YHI Crystal structure of Chikungunya virus nsP3 macrodomain N24A mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 实验环境不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
突变：N24A CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M di-ammonium hydrogen citrate, 20% (w/v) PEG 3350
分辨率 1.43 Å R-free 0.177
9YHI Crystal structure of Chikungunya virus nsP3 macrodomain N24A mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 实验环境不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
突变：N24A CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M di-ammonium hydrogen citrate, 20% (w/v) PEG 3350
分辨率 1.43 Å R-free 0.177
9YHJ Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31H double mutant (P31 crystal form) in complex with ADP-ribose 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
突变：N24A, D31H AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M di-ammonium hydrogen citrate, 20% (w/v) PEG 3350
分辨率 1.86 Å R-free 0.216
9YHJ Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31H double mutant (P31 crystal form) in complex with ADP-ribose 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
突变：N24A, D31H AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M di-ammonium hydrogen citrate, 20% (w/v) PEG 3350
分辨率 1.86 Å R-free 0.216
9YHJ Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31H double mutant (P31 crystal form) in complex with ADP-ribose 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
突变：N24A, D31H AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M di-ammonium hydrogen citrate, 20% (w/v) PEG 3350
分辨率 1.86 Å R-free 0.216
9YHJ Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31H double mutant (P31 crystal form) in complex with ADP-ribose 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
突变：N24A, D31H AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M di-ammonium hydrogen citrate, 20% (w/v) PEG 3350
分辨率 1.86 Å R-free 0.216
9YHK Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31H double mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
突变：N24A, D31H 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M di-ammonium hydrogen citrate, 20% (w/v) PEG 3350
分辨率 1.80 Å R-free 0.220
9YHK Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31H double mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
突变：N24A, D31H 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M di-ammonium hydrogen citrate, 20% (w/v) PEG 3350
分辨率 1.80 Å R-free 0.220
9YHK Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31H double mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
突变：N24A, D31H 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M di-ammonium hydrogen citrate, 20% (w/v) PEG 3350
分辨率 1.80 Å R-free 0.220
9YHK Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31H double mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
突变：N24A, D31H 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M di-ammonium hydrogen citrate, 20% (w/v) PEG 3350
分辨率 1.80 Å R-free 0.220
9YHL Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31N double mutant (P31 crystal form) in complex with ADP-ribose 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
突变：N24A, D31N APR ADENOSINE-5-DIPHOSPHORIBOSE × 1 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；0.2 M Lithium sulfate, 0.1 M Sodium HEPES pH 7.5, 25% (w/v) PEG3350
分辨率 1.51 Å R-free 0.185
9YHL Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31N double mutant (P31 crystal form) in complex with ADP-ribose 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
突变：N24A, D31N APR ADENOSINE-5-DIPHOSPHORIBOSE × 1 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；0.2 M Lithium sulfate, 0.1 M Sodium HEPES pH 7.5, 25% (w/v) PEG3350
分辨率 1.51 Å R-free 0.185
9YHL Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31N double mutant (P31 crystal form) in complex with ADP-ribose 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
突变：N24A, D31N APR ADENOSINE-5-DIPHOSPHORIBOSE × 1 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；0.2 M Lithium sulfate, 0.1 M Sodium HEPES pH 7.5, 25% (w/v) PEG3350
分辨率 1.51 Å R-free 0.185
9YHL Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31N double mutant (P31 crystal form) in complex with ADP-ribose 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
突变：N24A, D31N APR ADENOSINE-5-DIPHOSPHORIBOSE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；0.2 M Lithium sulfate, 0.1 M Sodium HEPES pH 7.5, 25% (w/v) PEG3350
分辨率 1.51 Å R-free 0.185
9YHM Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31N double mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1334–1493（160 aa） 片段：macrodomain
突变：N24A, D31N CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M tri-Lithium citrate tetrahydrate, 20% (w/v) PEG 3350
分辨率 1.52 Å R-free 0.189
9YHM Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31N double mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1334–1493（160 aa） 片段：macrodomain
突变：N24A, D31N 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M tri-Lithium citrate tetrahydrate, 20% (w/v) PEG 3350
分辨率 1.52 Å R-free 0.189
9YHM Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31N double mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 C 1334–1493（160 aa） 片段：macrodomain
突变：N24A, D31N 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M tri-Lithium citrate tetrahydrate, 20% (w/v) PEG 3350
分辨率 1.52 Å R-free 0.189
9YHM Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31N double mutant (P31 crystal form) 提交 2025-09-30 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 D 1334–1493（160 aa） 片段：macrodomain
突变：N24A, D31N CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M tri-Lithium citrate tetrahydrate, 20% (w/v) PEG 3350
分辨率 1.52 Å R-free 0.189

共 163 个其他 PDB 条目、601 个 assembly。 打开独立比较页并筛选聚集状态

查看构建体与数据证据
UniProt名称 POLN_CHIKS
Isoform —
PDB实体 1
链与序列区间 作者链 A； PDB构建体 4–163； UniProt 1334–1493 作者链 B； PDB构建体 4–163； UniProt 1334–1493 作者链 C； PDB构建体 4–163； UniProt 1334–1493 作者链 D； PDB构建体 4–163； UniProt 1334–1493

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。 链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。

SAXS 散射曲线 SAXS Profile

SAXS profile for 7h8a

P(r) 距离分布 P(r) Distribution

P(r) distribution for 7h8a
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2. 结构基本信息 2. Structure Basics

条目编号 entry_id7h8a
沉积日期 deposition_date2024-04-26
最后修订 last_revision2024-05-29
结构标题 titleGroup deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z3225843273 (CHIKV_MacB-x1139)
关键词 keywordsDiamond Light Source, I04-1, READDI, Chikungunya Virus, crystallographic fragment screening, PanDDA, XChemExplorer, VIRAL PROTEIN; VIRAL PROTEIN
实验方法 methodX-RAY DIFFRACTION
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3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier30.01 Å
回转半径 Rg (电子) rg_electron29.20 Å
零角强度 I(0) i090056900.00
分子量 molecular_weight72088.0 kDa
排除体积 excluded_volume89218 ų
包络体积 envelope_volume114280 ų
水化壳体积 shell_volume32944 ų
包络直径 envelope_diameter99.9 Å
壳层 Rg shell_rg36.04 Å
包络 Rg envelope_rg28.82 Å
形状 Rg shape_rg29.19 Å
总 Rg total_rg29.86 Å
总原子数 total_atoms5026
残基数 n_residues648
球谐函数阶数 n_harmonics20
q 范围 q_range— – 0.5000 Å−1
数据点数 n_points101
壳层类型 shell_typedirectional
溶剂电子密度 solvent_density0.3340 e/ų
壳层衬度 contrast_shell0.0300 e/ų
CRYSOL 版本 crysol_version4.1.3
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4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax94.5 Å
Rg (实空间) rg_real29.95 Å
Rg 误差 (实空间) rg_real_error0.64 Å
I(0) (实空间) i0_real9.0060e+07
I(0) 误差 (实空间) i0_real_error1.3390e+06
Rg (倒空间) rg_reciprocal29.98 Å
I(0) (倒空间) i0_reciprocal90060000.0000
解质量估计 total_estimate0.9013
解质量评级 solution_quality EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks2
主峰位置 r_peak_primary42.8 Å
偏度 Skewness skewness0.199
峰度 Kurtosis kurtosis-0.585
角度范围 angular_range— – 0.2650 Å−1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha35080000.0000
实空间数据点数 n_real_points54
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.939; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.900
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5. 晶体学与实验 5. Crystallography & Experiment

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6. 实体与聚合物信息 Entities & Polymers (6)

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8. 引用文献 (1)

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9. 文件与曲线 (10)