← 返回搜索
2nqd

Crystal structure of cysteine protease inhibitor, chagasin, in complex with human cathepsin L

Method: X-RAY DIFFRACTION Dmax: 79.1 Å Quality: GOOD
▼

1. 蛋白身份与相关结构 Protein Identity & Related Structures

Chagasin

Trypanosoma cruzi

UniProt Q966X9

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 其他组合 异源复合物 蛋白 × 2 其他聚合物 1 PDB 声明：dimeric（2） 与蛋白拷贝数一致 链 A； UniProt 2–110 未记录 Cathepsin L × 1 （P07711） 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 5.6；291 K；20% iso-Propanol, 20% PEG 4000, 0.1M Na Citrate pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K 分辨率 1.75 Å R-free 0.188

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 2NQD 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
2FO8 Solution structure of the Trypanosoma cruzi cysteine protease inhibitor chagasin 提交 2006-01-13 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 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 2–110（109 aa）
未记录 未记录非水小分子 SOLUTION NMR
NMR测量条件 pH 5.6；298 K；离子强度（mmCIF原始值）50 mM NaCl；压力 1
NMR样品组成 1.19 mM unlabeled chagasin | 90% H2O / 10% D2O; 20mM phosphate buffer
NMR样品组成 1.19 mM unlabeled chagasin | 100% D2O; 20mM phosphate buffer
NMR样品组成 0.52 mM U-15N chagasin | 90% H2O / 10% D2O; 20mM phosphate buffer
NMR样品组成 0.73 mM U-15N,13C chagasin | 100% D2O; 20mM phosphate buffer
NMR样品组成 0.3 mM U-15N,13C chagasin | 90% H2O / 10% D2O; 20mM phosphate buffer
分辨率未提供
2H7W Crystal structure of Chagasin, the endogenous cysteine-protease inhibitor from Trypanosoma cruzi 提交 2006-06-05 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 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–110（110 aa）
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 6.5；291 K；protein: 15 mg/ml in 10 mM tris-Hcl, pH 7.4, 0.1 M sodium chloride. reservoir: 15% PEG 8000, 0.1M ammonium sulphate, 0.1M cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K
分辨率 1.70 Å R-free 0.238
2H7W Crystal structure of Chagasin, the endogenous cysteine-protease inhibitor from Trypanosoma cruzi 提交 2006-06-05 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 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1–110（110 aa）
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 6.5；291 K；protein: 15 mg/ml in 10 mM tris-Hcl, pH 7.4, 0.1 M sodium chloride. reservoir: 15% PEG 8000, 0.1M ammonium sulphate, 0.1M cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K
分辨率 1.70 Å R-free 0.238
2NNR Crystal structure of chagasin, cysteine protease inhibitor from Trypanosoma cruzi 提交 2006-10-24 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 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 1–110（110 aa）
未记录 SO4 SULFATE ION × 1 GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；1.5M Lithium Sulfate, 0.1M Hepes pH 8.5, protein concentration 8 mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 291K
分辨率 1.70 Å R-free 0.216
2NNR Crystal structure of chagasin, cysteine protease inhibitor from Trypanosoma cruzi 提交 2006-10-24 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 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 B 1–110（110 aa）
未记录 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；1.5M Lithium Sulfate, 0.1M Hepes pH 8.5, protein concentration 8 mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 291K
分辨率 1.70 Å R-free 0.216
2OUL The Structure of Chagasin in Complex with a Cysteine Protease Clarifies the Binding Mode and Evolution of a New Inhibitor Family 提交 2007-02-11 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 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–110（110 aa）
未记录 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 pH 7；277 K；20% (v/v) PEG-300, 0.1 M Tris pH 8.5, 5% (w/v) PEG8000, and 10-15% (v/v) glycerol, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K, pH 7.00
分辨率 2.20 Å R-free 0.232
3CBJ Chagasin-Cathepsin B complex 提交 2008-02-22 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 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–110（110 aa）
未记录 PO4 PHOSPHATE ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.2 M ammonium dihydrogen phosphate, 20% PEG 3350, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K
分辨率 1.80 Å R-free 0.210
3CBJ Chagasin-Cathepsin B complex 提交 2008-02-22 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–110（110 aa）
未记录 PO4 PHOSPHATE ION × 8 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.2 M ammonium dihydrogen phosphate, 20% PEG 3350, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K
分辨率 1.80 Å R-free 0.210
3CBK chagasin-cathepsin B 提交 2008-02-22 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 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–110（110 aa）
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 6.2；291 K；0.14M ammonium fluoride, 14% PEG 3350, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K
分辨率 2.67 Å R-free 0.242
3E1Z Crystal structure of the parasite protesase inhibitor chagasin in complex with papain 提交 2008-08-05 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 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–110（110 aa）
未记录 ZN ZINC ION × 1 FMT FORMIC ACID × 10 ACY ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；2.0M ammonium formate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
分辨率 1.86 Å R-free 0.208

共 7 个其他 PDB 条目、10 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 CHAG_TRYCR
Isoform —
PDB实体 1
链与序列区间 作者链 A； PDB构建体 1–109； UniProt 2–110

Cathepsin L

Homo sapiens

UniProt P07711

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 其他组合 异源复合物 蛋白 × 2 其他聚合物 1 PDB 声明：dimeric（2） 与蛋白拷贝数一致 链 B； UniProt 113–333 片段：residues 1-220 突变：C25A Chagasin × 1 （Q966X9） 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 5.6；291 K；20% iso-Propanol, 20% PEG 4000, 0.1M Na Citrate pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K 分辨率 1.75 Å R-free 0.188

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 2NQD 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
1CJL CRYSTAL STRUCTURE OF A CYSTEINE PROTEASE PROFORM 提交 1996-07-24 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 22–333（312 aa）
突变：F(78P)L, C25S, T110A, E176G, D178G 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；1.4M (NA,K)PO4, PH 7.8
分辨率 2.20 Å R-free 0.241
1CS8 CRYSTAL STRUCTURE OF PROCATHEPSIN L 提交 1999-08-17 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 18–333（316 aa）
突变：T110A 非标准单体：是（mmCIF未提供具体位点） 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 MICROBATCH；pH 7.8；293.2 K；Na,K,Phosphate, pH 7.8, MICROBATCH, temperature 20.2K
分辨率 1.80 Å R-free 0.229
1ICF CRYSTAL STRUCTURE OF MHC CLASS II ASSOCIATED P41 II FRAGMENT IN COMPLEX WITH CATHEPSIN L 提交 1999-01-07 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric
链 A 114–288（175 aa）
链 B 292–333（42 aa）
未记录 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 6.1；SITTING DROP VAPOR DIFFUSION METHOD RESERVOIR CONTAINED 1ML OF 0.2 M NA- ACETATE TRIHYDRATE, 30% W/V PEG 8K AND 0.1M MES, PH 6.1. DROP WAS COMPOSED OF 2 MICRO L OF RESERVOIR SOLUTION AND 2 MICRO L OF THE COMPLEX (10 MG/ML) IN 20MM NA-ACETATE AND 1MM EDTA, PH 5.0.
分辨率 2.00 Å R-free 0.213
1ICF CRYSTAL STRUCTURE OF MHC CLASS II ASSOCIATED P41 II FRAGMENT IN COMPLEX WITH CATHEPSIN L 提交 1999-01-07 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric
链 C 114–288（175 aa）
链 D 292–333（42 aa）
未记录 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 6.1；SITTING DROP VAPOR DIFFUSION METHOD RESERVOIR CONTAINED 1ML OF 0.2 M NA- ACETATE TRIHYDRATE, 30% W/V PEG 8K AND 0.1M MES, PH 6.1. DROP WAS COMPOSED OF 2 MICRO L OF RESERVOIR SOLUTION AND 2 MICRO L OF THE COMPLEX (10 MG/ML) IN 20MM NA-ACETATE AND 1MM EDTA, PH 5.0.
分辨率 2.00 Å R-free 0.213
1ICF CRYSTAL STRUCTURE OF MHC CLASS II ASSOCIATED P41 II FRAGMENT IN COMPLEX WITH CATHEPSIN L 提交 1999-01-07 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 6 PDB 声明：hexameric
链 A 114–288（175 aa）
链 B 292–333（42 aa）
链 C 114–288（175 aa）
链 D 292–333（42 aa）
未记录 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 6.1；SITTING DROP VAPOR DIFFUSION METHOD RESERVOIR CONTAINED 1ML OF 0.2 M NA- ACETATE TRIHYDRATE, 30% W/V PEG 8K AND 0.1M MES, PH 6.1. DROP WAS COMPOSED OF 2 MICRO L OF RESERVOIR SOLUTION AND 2 MICRO L OF THE COMPLEX (10 MG/ML) IN 20MM NA-ACETATE AND 1MM EDTA, PH 5.0.
分辨率 2.00 Å R-free 0.213
1MHW Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides 提交 2002-08-21 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 114–288（175 aa） 片段：HEAVY CHAIN (residues 114-288)
链 C 292–333（42 aa） 片段：LIGHT CHAIN (residues 292-333)
非标准单体：是（mmCIF未提供具体位点） 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.2；293 K；PEG 8K, Na Citrate, LiSo4, Isoproponal, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.90 Å R-free 0.230
1MHW Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides 提交 2002-08-21 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 114–288（175 aa） 片段：HEAVY CHAIN (residues 114-288)
链 D 292–333（42 aa） 片段：LIGHT CHAIN (residues 292-333)
非标准单体：是（mmCIF未提供具体位点） 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.2；293 K；PEG 8K, Na Citrate, LiSo4, Isoproponal, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.90 Å R-free 0.230
2VHS Cathsilicatein, a chimera 提交 2007-11-24 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 × 4 PDB 声明：tetrameric
链 A 114–285（172 aa）
链 A 294–333（40 aa）
链 B 114–285（172 aa）
链 B 294–333（40 aa）
链 C 114–285（172 aa）
链 C 294–333（40 aa）
链 D 114–285（172 aa）
链 D 294–333（40 aa）
突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES SO4 SULFATE ION × 8 X-RAY DIFFRACTION
X-ray结晶条件 pH 6；pH 6
分辨率 1.50 Å R-free 0.220
2XU1 CATHEPSIN L WITH A NITRILE INHIBITOR 提交 2010-10-14 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 114–333（220 aa） 片段：CATALYTIC DOMAIN, RESIDUES 114-333
突变：YES 424 (2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 4；20% PEG 2000, PH 4
分辨率 1.45 Å R-free 0.272
2XU1 CATHEPSIN L WITH A NITRILE INHIBITOR 提交 2010-10-14 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 114–333（220 aa） 片段：CATALYTIC DOMAIN, RESIDUES 114-333
突变：YES 424 (2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 4；20% PEG 2000, PH 4
分辨率 1.45 Å R-free 0.272
2XU1 CATHEPSIN L WITH A NITRILE INHIBITOR 提交 2010-10-14 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 114–333（220 aa） 片段：CATALYTIC DOMAIN, RESIDUES 114-333
突变：YES 424 (2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 4；20% PEG 2000, PH 4
分辨率 1.45 Å R-free 0.272
2XU1 CATHEPSIN L WITH A NITRILE INHIBITOR 提交 2010-10-14 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 114–333（220 aa） 片段：CATALYTIC DOMAIN, RESIDUES 114-333
突变：YES 424 (2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 4；20% PEG 2000, PH 4
分辨率 1.45 Å R-free 0.272
2XU3 CATHEPSIN L WITH A NITRILE INHIBITOR 提交 2010-10-14 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 114–333（220 aa） 片段：CATALYTIC DOMAIN, RESIDUES 114-333
未记录 XU3 (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(5-chlorothiophen-2-yl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide × 1 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 8.2；0.1 M CITRIC ACID PH 3.5 25 % PEG 3350
分辨率 0.90 Å R-free 0.155
2XU4 CATHEPSIN L WITH A NITRILE INHIBITOR 提交 2010-10-14 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 114–333（220 aa） 片段：CATALYTIC DOMAIN, RESIDUES 114-333
未记录 DJT (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 3.5；0.1 M CITRIC ACID PH 3.5, 25 % PEG 3350
分辨率 1.12 Å R-free 0.167
2XU5 CATHEPSIN L WITH A NITRILE INHIBITOR 提交 2010-10-14 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 114–333（220 aa） 片段：CATALYTIC DOMAIN, RESIDUES 114-333
未记录 XU5 (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-methylphenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide × 1 GOL GLYCEROL × 1 FLC CITRATE ANION × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 3.5；0.1 M CITRIC ACID PH 3.5, 25 % PEG 3350
分辨率 1.60 Å R-free 0.276
2YJ2 CATHEPSIN L WITH A NITRILE INHIBITOR 提交 2011-05-18 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 114–333（220 aa） 片段：CATALYTIC DOMAIN, RESIDUES 114-333
未记录 YJ2 (2S,4R)-1-[1-(4-BROMOPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 6.5；0.1M BIS-TRIS PH 6.5, 25 % PEG 3350
分辨率 1.15 Å R-free 0.179
2YJ8 CATHEPSIN L WITH A NITRILE INHIBITOR 提交 2011-05-19 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 114–333（220 aa） 片段：CATALYTIC DOMAIN, RESIDUES 114-333
未记录 YJ8 (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-iodophenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 5.5；0.1 M BIS-TRIS PH 5.5, 0.2M SODIUM ACETATE, 25 % PEG 3350
分辨率 1.30 Å R-free 0.182
2YJ9 CATHEPSIN L WITH A NITRILE INHIBITOR 提交 2011-05-19 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 114–333（220 aa） 片段：CATALYTIC DOMAIN, RESIDUES 114-333
未记录 YJ9 (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 6.5；0.1 M BIS-TRIS 6.5, 20% PEG MME 5000
分辨率 1.35 Å R-free 0.201
2YJB CATHEPSIN L WITH A NITRILE INHIBITOR 提交 2011-05-19 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 114–333（220 aa） 片段：CATALYTIC DOMAIN, RESIDUES 114-333
未记录 YJ9 (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 6.5；0.1 M BIS-TRIS PH 6.5, 0.2 M NACL, 25% PEG 3350
分辨率 1.40 Å R-free 0.218
2YJC CATHEPSIN L WITH A NITRILE INHIBITOR 提交 2011-05-19 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 114–333（220 aa） 片段：CATALYTIC DOMAIN, RESIDUES 114-333
未记录 424 (2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 0.1M MAGNESIUM FORMATE, 15 % PEG 3350
分辨率 1.14 Å R-free 0.184
3BC3 Exploring inhibitor binding at the S subsites of cathepsin L 提交 2007-11-12 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 114–333（220 aa） 片段：UNp residues 114-333
非标准单体：是（mmCIF未提供具体位点） OPT S-benzyl-N-(biphenyl-4-ylacetyl)-L-cysteinyl-N~5~-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)-L-tyrosinamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；17%(w/v) Polyethylene glycol 8000, 0.2M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.20 Å R-free 0.234
3BC3 Exploring inhibitor binding at the S subsites of cathepsin L 提交 2007-11-12 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 114–333（220 aa） 片段：UNp residues 114-333
非标准单体：是（mmCIF未提供具体位点） OPT S-benzyl-N-(biphenyl-4-ylacetyl)-L-cysteinyl-N~5~-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)-L-tyrosinamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；17%(w/v) Polyethylene glycol 8000, 0.2M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.20 Å R-free 0.234
3H89 A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 4) 提交 2009-04-29 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 114–333（220 aa） 片段：Cathepsin L Heavy Chain and Light Chain, UNP residues 114-333
未记录 NSX N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
分辨率 2.50 Å R-free 0.280
3H89 A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 4) 提交 2009-04-29 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 114–333（220 aa） 片段：Cathepsin L Heavy Chain and Light Chain, UNP residues 114-333
未记录 NSX N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
分辨率 2.50 Å R-free 0.280
3H89 A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 4) 提交 2009-04-29 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 114–333（220 aa） 片段：Cathepsin L Heavy Chain and Light Chain, UNP residues 114-333
未记录 NSX N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
分辨率 2.50 Å R-free 0.280
3H89 A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 4) 提交 2009-04-29 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 114–333（220 aa） 片段：Cathepsin L Heavy Chain and Light Chain, UNP residues 114-333
未记录 NSX N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
分辨率 2.50 Å R-free 0.280
3H89 A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 4) 提交 2009-04-29 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 5 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 E 114–333（220 aa） 片段：Cathepsin L Heavy Chain and Light Chain, UNP residues 114-333
未记录 NSX N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
分辨率 2.50 Å R-free 0.280
3H89 A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 4) 提交 2009-04-29 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 6 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 F 114–333（220 aa） 片段：Cathepsin L Heavy Chain and Light Chain, UNP residues 114-333
未记录 NSX N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
分辨率 2.50 Å R-free 0.280
3H8B A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 9) 提交 2009-04-29 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 114–333（220 aa） 片段：Cathepsin L Heavy Chain and Light Chain, UNP residues 114-333
未记录 NSY N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
分辨率 1.80 Å R-free 0.250
3H8B A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 9) 提交 2009-04-29 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 114–333（220 aa） 片段：Cathepsin L Heavy Chain and Light Chain, UNP residues 114-333
未记录 NSY N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
分辨率 1.80 Å R-free 0.250
3H8B A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 9) 提交 2009-04-29 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 114–333（220 aa） 片段：Cathepsin L Heavy Chain and Light Chain, UNP residues 114-333
未记录 NSY N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
分辨率 1.80 Å R-free 0.250
3H8B A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 9) 提交 2009-04-29 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 114–333（220 aa） 片段：Cathepsin L Heavy Chain and Light Chain, UNP residues 114-333
未记录 NSY N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
分辨率 1.80 Å R-free 0.250
3H8B A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 9) 提交 2009-04-29 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 5 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 E 114–333（220 aa） 片段：Cathepsin L Heavy Chain and Light Chain, UNP residues 114-333
未记录 NSY N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
分辨率 1.80 Å R-free 0.250
3H8B A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 9) 提交 2009-04-29 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 6 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 F 114–333（220 aa） 片段：Cathepsin L Heavy Chain and Light Chain, UNP residues 114-333
未记录 NSY N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
分辨率 1.80 Å R-free 0.250
3H8C A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors (compound 14) 提交 2009-04-29 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 114–333（220 aa） 片段：Cathepsin L Heavy Chain and Light Chain, UNP residues 114-333
非标准单体：是（mmCIF未提供具体位点） NSZ N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
分辨率 2.50 Å R-free 0.292
3H8C A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors (compound 14) 提交 2009-04-29 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 114–333（220 aa） 片段：Cathepsin L Heavy Chain and Light Chain, UNP residues 114-333
非标准单体：是（mmCIF未提供具体位点） NSZ N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
分辨率 2.50 Å R-free 0.292
3HHA Crystal structure of cathepsin L in complex with AZ12878478 提交 2009-05-15 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 114–333（220 aa） 片段：Heavy chain and light chain: UNP residues 76-333
突变：T223A NOW Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide × 1 PG4 TETRAETHYLENE GLYCOL × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；pH 7.4；293 K；PEG, pH 7.4, VAPOR DIFFUSION, temperature 293K
分辨率 1.27 Å R-free 0.152
3HHA Crystal structure of cathepsin L in complex with AZ12878478 提交 2009-05-15 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 114–333（220 aa） 片段：Heavy chain and light chain: UNP residues 76-333
突变：T223A NOW Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide × 1 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；pH 7.4；293 K；PEG, pH 7.4, VAPOR DIFFUSION, temperature 293K
分辨率 1.27 Å R-free 0.152
3HHA Crystal structure of cathepsin L in complex with AZ12878478 提交 2009-05-15 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 114–333（220 aa） 片段：Heavy chain and light chain: UNP residues 76-333
突变：T223A NOW Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；pH 7.4；293 K；PEG, pH 7.4, VAPOR DIFFUSION, temperature 293K
分辨率 1.27 Å R-free 0.152
3HHA Crystal structure of cathepsin L in complex with AZ12878478 提交 2009-05-15 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 114–333（220 aa） 片段：Heavy chain and light chain: UNP residues 76-333
突变：T223A NOW Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；pH 7.4；293 K；PEG, pH 7.4, VAPOR DIFFUSION, temperature 293K
分辨率 1.27 Å R-free 0.152
3HWN CATHEPSIN L with AZ13010160 提交 2009-06-18 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 76–333（258 aa） 片段：PROTEASE
未记录 BD3 Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；298 K；PEG, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K
分辨率 2.33 Å R-free 0.347
3HWN CATHEPSIN L with AZ13010160 提交 2009-06-18 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 76–333（258 aa） 片段：PROTEASE
未记录 BD3 Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；298 K；PEG, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K
分辨率 2.33 Å R-free 0.347
3HWN CATHEPSIN L with AZ13010160 提交 2009-06-18 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 76–333（258 aa） 片段：PROTEASE
未记录 BD3 Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；298 K；PEG, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K
分辨率 2.33 Å R-free 0.347
3HWN CATHEPSIN L with AZ13010160 提交 2009-06-18 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 76–333（258 aa） 片段：PROTEASE
未记录 BD3 Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；298 K；PEG, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K
分辨率 2.33 Å R-free 0.347
3IV2 Crystal structure of mature apo-Cathepsin L C25A mutant 提交 2009-08-31 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 × 2 PDB 声明：dimeric
链 A 114–333（220 aa） 片段：Mature protein: UNP residues 114-333
链 B 114–333（220 aa） 片段：Mature protein: UNP residues 114-333
突变：C138A 突变：C138A NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 5 SO4 SULFATE ION × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate pH 4.6, 30% PEG MME 2000, VAPOR DIFFUSION, SITTING DROP, temperature 293K
分辨率 2.20 Å R-free 0.244
3IV2 Crystal structure of mature apo-Cathepsin L C25A mutant 提交 2009-08-31 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric
链 A 114–333（220 aa） 片段：Mature protein: UNP residues 114-333
链 B 114–333（220 aa） 片段：Mature protein: UNP residues 114-333
突变：C138A 突变：C138A NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 5 SO4 SULFATE ION × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate pH 4.6, 30% PEG MME 2000, VAPOR DIFFUSION, SITTING DROP, temperature 293K
分辨率 2.20 Å R-free 0.244
3K24 Crystal structure of mature apo-Cathepsin L C25A mutant in complex with Gln-Leu-Ala peptide 提交 2009-09-29 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 114–333（220 aa） 片段：mC25A: UNP residues 114-333
突变：C138A NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；10% Isopropanol, 0.1 M Sodium acetate trihydrate pH 4.0, 22% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 293K
分辨率 2.50 Å R-free 0.270
3K24 Crystal structure of mature apo-Cathepsin L C25A mutant in complex with Gln-Leu-Ala peptide 提交 2009-09-29 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 其他组合 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 114–333（220 aa） 片段：mC25A: UNP residues 114-333
突变：C138A 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；10% Isopropanol, 0.1 M Sodium acetate trihydrate pH 4.0, 22% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 293K
分辨率 2.50 Å R-free 0.270
3KSE Unreduced cathepsin L in complex with stefin A 提交 2009-11-22 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 114–333（220 aa）
突变：T110A,N179D 非标准单体：是（mmCIF未提供具体位点） 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1M Tris-HCl, 16% PEG3000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
分辨率 1.71 Å R-free 0.204
3KSE Unreduced cathepsin L in complex with stefin A 提交 2009-11-22 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 114–333（220 aa）
突变：T110A,N179D 非标准单体：是（mmCIF未提供具体位点） 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1M Tris-HCl, 16% PEG3000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
分辨率 1.71 Å R-free 0.204
3KSE Unreduced cathepsin L in complex with stefin A 提交 2009-11-22 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 C 114–333（220 aa）
突变：T110A,N179D 非标准单体：是（mmCIF未提供具体位点） 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1M Tris-HCl, 16% PEG3000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
分辨率 1.71 Å R-free 0.204
3OF8 Structural Basis for Reversible and Irreversible Inhibition of Human Cathepsin L by their Respective Dipeptidyl Glyoxal and Diazomethylketone Inhibitors 提交 2010-08-14 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 113–333（221 aa） 片段：residues 113-333
未记录 I0Y Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-(4-tert-butoxyphenyl)-4-hydroxy-3-oxobutan-2-yl]-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 5；298 K；20 mM Sodium acetate pH 5.1, 100 mM NaCl, and 1mM EDTA, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 2.20 Å R-free 0.253
3OF9 Structural Basis for Irreversible Inhibition of Human Cathepsin L by a Diazomethylketone Inhibitor 提交 2010-08-14 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 113–333（221 aa） 片段：Cathepsin L
未记录 I0X Nalpha-[(benzyloxy)carbonyl]-N-[(1S)-1-(4-tert-butoxybenzyl)-3-diazo-2-oxopropyl]-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.2；298 K；30%( w/v) PEG 8K and 200mM Ammonium sulfate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
分辨率 1.76 Å R-free 0.249
4AXL HUMAN CATHEPSIN L APO FORM WITH ZN 提交 2012-06-13 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 × 2 PDB 声明：dimeric
链 A 114–333（220 aa） 片段：CATALYTIC, RESIDUES 114-333
未记录 ZN ZINC ION × 2 GOL GLYCEROL × 2 ACT ACETATE ION × 2 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 1.92 Å R-free 0.230
4AXM TRIAZINE CATHEPSIN INHIBITOR COMPLEX 提交 2012-06-13 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 114–333（220 aa） 片段：CATALYTIC, RESIDUES 114-333
未记录 GOL GLYCEROL × 1 V65 4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide × 1 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.80 Å R-free 0.257
4AXM TRIAZINE CATHEPSIN INHIBITOR COMPLEX 提交 2012-06-13 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 114–333（220 aa） 片段：CATALYTIC, RESIDUES 114-333
未记录 GOL GLYCEROL × 1 V65 4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide × 1 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.80 Å R-free 0.257
4AXM TRIAZINE CATHEPSIN INHIBITOR COMPLEX 提交 2012-06-13 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 F 114–333（220 aa） 片段：CATALYTIC, RESIDUES 114-333
未记录 GOL GLYCEROL × 1 V65 4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide × 1 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.80 Å R-free 0.257
4AXM TRIAZINE CATHEPSIN INHIBITOR COMPLEX 提交 2012-06-13 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 I 114–333（220 aa） 片段：CATALYTIC, RESIDUES 114-333
未记录 GOL GLYCEROL × 1 V65 4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide × 1 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.80 Å R-free 0.257
4AXM TRIAZINE CATHEPSIN INHIBITOR COMPLEX 提交 2012-06-13 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 5 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 L 114–333（220 aa） 片段：CATALYTIC, RESIDUES 114-333
未记录 GOL GLYCEROL × 1 V65 4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide × 1 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.80 Å R-free 0.257
4AXM TRIAZINE CATHEPSIN INHIBITOR COMPLEX 提交 2012-06-13 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 6 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 O 114–333（220 aa） 片段：CATALYTIC, RESIDUES 114-333
未记录 GOL GLYCEROL × 1 V65 4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide × 1 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.80 Å R-free 0.257
5F02 CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amide 提交 2015-11-27 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 114–333（220 aa） 片段：CATALYTIC DOMAIN, RESIDUES 114-333
未记录 GOL GLYCEROL × 1 5T9 (2~{S},4~{R})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{N}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；298 K；0.1M MAGNESIUM FORMATE, 15 % PEG 3350
分辨率 1.43 Å R-free 0.191
5I4H Caught in the Act: The Crystal Structure of cleaved Cathepsin L bound to the active site of Cathepsin L 提交 2016-02-12 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 × 2 PDB 声明：dimeric
链 A 113–218（106 aa） 片段：UNP residues 113-218
链 B 222–333（112 aa） 片段：UNP residues 222-333
突变：S25C, A110T 突变：S25C, A110T SO4 SULFATE ION × 4 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.11 M HEPES, pH 7.5, 2.14 M ammonium sulfate
分辨率 1.42 Å R-free 0.184
5MAE CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-car boxylic acid (1-cyano-cyclopropyl)-amide 提交 2016-11-03 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 114–333（220 aa） 片段：UNP residues 114-333
未记录 7KN [4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide × 1 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；25% PEG3350, 0.1M Bis-Tris
分辨率 1.00 Å R-free 0.182
5MAJ CATHEPSIN L IN COMPLEX WITH 4-[cyclopentyl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]-6-morpholino-1,3,5-triazine-2-carbonitrile 提交 2016-11-03 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 114–333（220 aa）
未记录 7KH ~{N}-cyclopentyl-~{N}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；25% PEG3350, 0.2M ammonium acetate, 0.1M HEPES
分辨率 1.00 Å R-free 0.170
5MQY CATHEPSIN L IN COMPLEX WITH 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile 提交 2016-12-21 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 114–333（220 aa）
未记录 GH4 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile × 1 EDO 1,2-ETHANEDIOL × 8 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；294 K；25% PEG3350, 0.1M Bis-Tris
分辨率 1.13 Å R-free 0.199
6EZP CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide 提交 2017-11-16 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 114–333（220 aa）
未记录 C3E (3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 3.5；294 K；0.1 M citrate, 25% PEG3350
分辨率 1.37 Å R-free 0.233
6EZX CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-17-oxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide 提交 2017-11-16 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 × 2 PDB 声明：dimeric
链 A 114–333（220 aa）
链 B 114–333（220 aa）
未记录 C7Q (3~{S},14~{E})-19-chloranyl-~{N}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；294 K；25% PEG3350, 0.1 M Bis-Tris
分辨率 2.34 Å R-free 0.297
6F06 CATHEPSIN L IN COMPLEX WITH (3S,14E)-8-(azetidin-3-yl)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide 提交 2017-11-17 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 114–333（220 aa）
未记录 C7T (3~{S},14~{E})-8-(azetidin-3-yl)-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide × 1 ZN ZINC ION × 6 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；294 K；20% PEG3350, 0.05 M zinc acetate
分辨率 2.02 Å R-free 0.274
6F06 CATHEPSIN L IN COMPLEX WITH (3S,14E)-8-(azetidin-3-yl)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide 提交 2017-11-17 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 114–333（220 aa）
未记录 C7T (3~{S},14~{E})-8-(azetidin-3-yl)-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide × 1 ZN ZINC ION × 8 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；294 K；20% PEG3350, 0.05 M zinc acetate
分辨率 2.02 Å R-free 0.274
6JD0 Structure of mutant human cathepsin L, engineered for GAG binding 提交 2019-01-30 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 18–333（316 aa）
突变：E105K, C121S, L165Y, M257L, G260A, M291N, G292K, A310L GOL GLYCEROL × 14 CL CHLORIDE ION × 3 NA SODIUM ION × 5 PO4 PHOSPHATE ION × 8 POL N-PROPANOL × 10 PGE TRIETHYLENE GLYCOL × 6 EOH ETHANOL × 3 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；293 K；PEG 4000, 2-propanol etc
分辨率 1.80 Å R-free 0.215
6JD8 Structure of a proline specific mutant of human cathepsin L 提交 2019-01-31 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 18–333（316 aa）
突变：C138S,L182Y,M274L,G277A,A327L GOL GLYCEROL × 1 EOH ETHANOL × 12 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 1 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；293 K；PEG 4000, 2-propanol
分辨率 1.46 Å R-free 0.237
7QKB Crystal structure of human Cathepsin L in complex with covalently bound GC376 提交 2021-12-17 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 114–333（220 aa）
突变：T110A PEG DI(HYDROXYETHYL)ETHER × 2 NA SODIUM ION × 1 PGE TRIETHYLENE GLYCOL × 1 CL CHLORIDE ION × 1 UED N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.80 Å R-free 0.203
7QKB Crystal structure of human Cathepsin L in complex with covalently bound GC376 提交 2021-12-17 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 114–333（220 aa）
突变：T110A PEG DI(HYDROXYETHYL)ETHER × 3 NA SODIUM ION × 1 PGE TRIETHYLENE GLYCOL × 1 UED N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.80 Å R-free 0.203
7QKB Crystal structure of human Cathepsin L in complex with covalently bound GC376 提交 2021-12-17 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 114–333（220 aa）
突变：T110A PEG DI(HYDROXYETHYL)ETHER × 2 NA SODIUM ION × 1 UED N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.80 Å R-free 0.203
7QKB Crystal structure of human Cathepsin L in complex with covalently bound GC376 提交 2021-12-17 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 114–333（220 aa）
突变：T110A NA SODIUM ION × 1 UED N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide × 1 P6G HEXAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.80 Å R-free 0.203
7QKC Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin 提交 2021-12-17 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 114–333（220 aa）
突变：T110A PEG DI(HYDROXYETHYL)ETHER × 2 RN2 Calpeptin × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.69 Å R-free 0.179
7QKC Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin 提交 2021-12-17 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 114–333（220 aa）
突变：T110A PEG DI(HYDROXYETHYL)ETHER × 1 RN2 Calpeptin × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.69 Å R-free 0.179
7QKC Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin 提交 2021-12-17 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 114–333（220 aa）
突变：T110A PEG DI(HYDROXYETHYL)ETHER × 3 RN2 Calpeptin × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.69 Å R-free 0.179
7QKC Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin 提交 2021-12-17 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 114–333（220 aa）
突变：T110A PEG DI(HYDROXYETHYL)ETHER × 1 RN2 Calpeptin × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.69 Å R-free 0.179
7QKD Crystal structure of human Cathepsin L in complex with covalently bound MG132 提交 2021-12-17 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 114–333（220 aa）
突变：T110A ALD N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide × 1 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.50 Å R-free 0.198
7QKD Crystal structure of human Cathepsin L in complex with covalently bound MG132 提交 2021-12-17 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 114–333（220 aa）
突变：T110A ALD N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.50 Å R-free 0.198
7QKD Crystal structure of human Cathepsin L in complex with covalently bound MG132 提交 2021-12-17 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 114–333（220 aa）
突变：T110A ALD N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.50 Å R-free 0.198
7QKD Crystal structure of human Cathepsin L in complex with covalently bound MG132 提交 2021-12-17 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 114–333（220 aa）
突变：T110A ALD N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide × 1 PEG DI(HYDROXYETHYL)ETHER × 3 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.50 Å R-free 0.198
7W33 The crystal structure of human CtsL in complex with 14a 提交 2021-11-25 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 1–333（333 aa）
未记录 89B N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2R,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.1；289.15 K；100mM sodium acetate (pH 4.1), 15% (w/v) PEG 2000, protein concentration 8 mg/ml
分辨率 2.39 Å R-free 0.261
7W34 The crystal structure of human CtsL in complex with 14b 提交 2021-11-25 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 1–333（333 aa）
未记录 89K N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.1；289.15 K；100mM sodium acetate (pH 4.1), 15% (w/v) PEG 2000, protein concentration 8mg/ml
分辨率 2.89 Å R-free 0.303
7Z3T Crystal structure of apo human Cathepsin L 提交 2022-03-02 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 114–333（220 aa）
突变：T110A 非标准单体：是（mmCIF未提供具体位点） PEG DI(HYDROXYETHYL)ETHER × 3 PGE TRIETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days.
分辨率 1.60 Å R-free 0.176
7Z3T Crystal structure of apo human Cathepsin L 提交 2022-03-02 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 114–333（220 aa）
突变：T110A 非标准单体：是（mmCIF未提供具体位点） PEG DI(HYDROXYETHYL)ETHER × 2 PGE TRIETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days.
分辨率 1.60 Å R-free 0.176
7Z3T Crystal structure of apo human Cathepsin L 提交 2022-03-02 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 114–333（220 aa）
突变：T110A 非标准单体：是（mmCIF未提供具体位点） PEG DI(HYDROXYETHYL)ETHER × 3 EDO 1,2-ETHANEDIOL × 1 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days.
分辨率 1.60 Å R-free 0.176
7Z3T Crystal structure of apo human Cathepsin L 提交 2022-03-02 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 114–333（220 aa）
突变：T110A 非标准单体：是（mmCIF未提供具体位点） PGE TRIETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 1 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days.
分辨率 1.60 Å R-free 0.176
7Z58 Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin 提交 2022-03-08 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 114–333（220 aa）
突变：T110A PEG DI(HYDROXYETHYL)ETHER × 2 PGE TRIETHYLENE GLYCOL × 2 EDO 1,2-ETHANEDIOL × 1 RN2 Calpeptin × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.35 Å R-free 0.158
7Z58 Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin 提交 2022-03-08 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 114–333（220 aa）
突变：T110A PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 1 RN2 Calpeptin × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.35 Å R-free 0.158
7Z58 Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin 提交 2022-03-08 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 114–333（220 aa）
突变：T110A PEG DI(HYDROXYETHYL)ETHER × 2 PGE TRIETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 1 RN2 Calpeptin × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.35 Å R-free 0.158
7Z58 Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin 提交 2022-03-08 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 114–333（220 aa）
突变：T110A PEG DI(HYDROXYETHYL)ETHER × 2 PGE TRIETHYLENE GLYCOL × 2 RN2 Calpeptin × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.35 Å R-free 0.158
7ZS7 Crystal structure of human cathepsin L with covalently bound calpain inhibitor VI 提交 2022-05-06 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 114–333（220 aa）
突变：T110A JQO (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]butanamide × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.60 Å R-free 0.188
7ZS7 Crystal structure of human cathepsin L with covalently bound calpain inhibitor VI 提交 2022-05-06 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 114–333（220 aa）
突变：T110A JQO (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]butanamide × 1 DMS DIMETHYL SULFOXIDE × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.60 Å R-free 0.188
7ZS7 Crystal structure of human cathepsin L with covalently bound calpain inhibitor VI 提交 2022-05-06 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 114–333（220 aa）
突变：T110A JQO (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]butanamide × 1 DMS DIMETHYL SULFOXIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.60 Å R-free 0.188
7ZS7 Crystal structure of human cathepsin L with covalently bound calpain inhibitor VI 提交 2022-05-06 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 114–333（220 aa）
突变：T110A JQO (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]butanamide × 1 DMS DIMETHYL SULFOXIDE × 4 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.60 Å R-free 0.188
7ZVF Crystal structure of human cathepsin L in complex with covalently bound CLIK148 提交 2022-05-15 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 114–333（220 aa）
突变：T110A KXL (2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide × 1 PG4 TETRAETHYLENE GLYCOL × 1 1PE PENTAETHYLENE GLYCOL × 1 DMS DIMETHYL SULFOXIDE × 2 PEG DI(HYDROXYETHYL)ETHER × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.60 Å R-free 0.189
7ZVF Crystal structure of human cathepsin L in complex with covalently bound CLIK148 提交 2022-05-15 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 114–333（220 aa）
突变：T110A KXL (2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide × 1 1PE PENTAETHYLENE GLYCOL × 1 DMS DIMETHYL SULFOXIDE × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.60 Å R-free 0.189
7ZVF Crystal structure of human cathepsin L in complex with covalently bound CLIK148 提交 2022-05-15 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 114–333（220 aa）
突变：T110A KXL (2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide × 1 1PE PENTAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 NA SODIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.60 Å R-free 0.189
7ZVF Crystal structure of human cathepsin L in complex with covalently bound CLIK148 提交 2022-05-15 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 114–333（220 aa）
突变：T110A KXL (2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide × 1 1PE PENTAETHYLENE GLYCOL × 1 DMS DIMETHYL SULFOXIDE × 3 PEG DI(HYDROXYETHYL)ETHER × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.60 Å R-free 0.189
7ZXA Crystal structure of human cathepsin L with covalently bound aloxistatin (E-64D) 提交 2022-05-20 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 114–333（220 aa）
突变：T110A E6D ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate × 1 1PE PENTAETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 DMS DIMETHYL SULFOXIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.60 Å R-free 0.194
7ZXA Crystal structure of human cathepsin L with covalently bound aloxistatin (E-64D) 提交 2022-05-20 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 114–333（220 aa）
突变：T110A E6D ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate × 1 DMS DIMETHYL SULFOXIDE × 2 PEG DI(HYDROXYETHYL)ETHER × 3 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.60 Å R-free 0.194
7ZXA Crystal structure of human cathepsin L with covalently bound aloxistatin (E-64D) 提交 2022-05-20 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 114–333（220 aa）
突变：T110A E6D ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate × 1 PEG DI(HYDROXYETHYL)ETHER × 3 PGE TRIETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.60 Å R-free 0.194
7ZXA Crystal structure of human cathepsin L with covalently bound aloxistatin (E-64D) 提交 2022-05-20 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 114–333（220 aa）
突变：T110A E6D ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate × 1 PG4 TETRAETHYLENE GLYCOL × 1 DMS DIMETHYL SULFOXIDE × 2 PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 1 P6G HEXAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.60 Å R-free 0.194
8A4U Crystal structure of human cathepsin L with CAA0225 提交 2022-06-13 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 114–333（220 aa）
突变：T110A 非标准单体：是（mmCIF未提供具体位点） L2X (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide × 1 NA SODIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 5 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.90 Å R-free 0.209
8A4U Crystal structure of human cathepsin L with CAA0225 提交 2022-06-13 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 114–333（220 aa）
突变：T110A 非标准单体：是（mmCIF未提供具体位点） L2X (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.90 Å R-free 0.209
8A4U Crystal structure of human cathepsin L with CAA0225 提交 2022-06-13 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 114–333（220 aa）
突变：T110A 非标准单体：是（mmCIF未提供具体位点） L2X (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide × 1 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.90 Å R-free 0.209
8A4U Crystal structure of human cathepsin L with CAA0225 提交 2022-06-13 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 114–333（220 aa）
突变：T110A 非标准单体：是（mmCIF未提供具体位点） L2X (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.90 Å R-free 0.209
8A4V Crystal structure of human cathepsin L with covalently bound E-64 提交 2022-06-13 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 114–333（220 aa）
突变：T110A E64 N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE × 1 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.65 Å R-free 0.203
8A4V Crystal structure of human cathepsin L with covalently bound E-64 提交 2022-06-13 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 114–333（220 aa）
突变：T110A E64 N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.65 Å R-free 0.203
8A4V Crystal structure of human cathepsin L with covalently bound E-64 提交 2022-06-13 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 114–333（220 aa）
突变：T110A E64 N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.65 Å R-free 0.203
8A4V Crystal structure of human cathepsin L with covalently bound E-64 提交 2022-06-13 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 114–333（220 aa）
突变：T110A E64 N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.65 Å R-free 0.203
8A4W Crystal structure of human cathepsin L with covalently bound Cathepsin L inhibitor IV 提交 2022-06-13 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 114–333（220 aa）
突变：T110A L2F N-(1-naphthylsulfonyl)-(L)-isoleucyl-(L)-tryptophanol × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.40 Å R-free 0.167
8A4W Crystal structure of human cathepsin L with covalently bound Cathepsin L inhibitor IV 提交 2022-06-13 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 114–333（220 aa）
突变：T110A L2F N-(1-naphthylsulfonyl)-(L)-isoleucyl-(L)-tryptophanol × 1 EDO 1,2-ETHANEDIOL × 1 DMS DIMETHYL SULFOXIDE × 3 PG4 TETRAETHYLENE GLYCOL × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.40 Å R-free 0.167
8A4W Crystal structure of human cathepsin L with covalently bound Cathepsin L inhibitor IV 提交 2022-06-13 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 114–333（220 aa）
突变：T110A L2F N-(1-naphthylsulfonyl)-(L)-isoleucyl-(L)-tryptophanol × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.40 Å R-free 0.167
8A4W Crystal structure of human cathepsin L with covalently bound Cathepsin L inhibitor IV 提交 2022-06-13 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 114–333（220 aa）
突变：T110A L2F N-(1-naphthylsulfonyl)-(L)-isoleucyl-(L)-tryptophanol × 1 PEG DI(HYDROXYETHYL)ETHER × 2 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.40 Å R-free 0.167
8A4X Crystal structure of human Cathepsin L with covalently bound Calpain inhibitor III 提交 2022-06-13 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 114–333（220 aa）
突变：T110A L3F (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.80 Å R-free 0.226
8A4X Crystal structure of human Cathepsin L with covalently bound Calpain inhibitor III 提交 2022-06-13 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 114–333（220 aa）
突变：T110A L3F (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate × 1 PEG DI(HYDROXYETHYL)ETHER × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.80 Å R-free 0.226
8A4X Crystal structure of human Cathepsin L with covalently bound Calpain inhibitor III 提交 2022-06-13 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 114–333（220 aa）
突变：T110A L3F (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate × 1 PEG DI(HYDROXYETHYL)ETHER × 2 P6G HEXAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.80 Å R-free 0.226
8A4X Crystal structure of human Cathepsin L with covalently bound Calpain inhibitor III 提交 2022-06-13 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 114–333（220 aa）
突变：T110A L3F (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate × 1 P6G HEXAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.80 Å R-free 0.226
8A5B Crystal structure of human cathepsin L in complex with covalently bound MG-101 提交 2022-06-14 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 114–333（220 aa）
突变：T110A PGE TRIETHYLENE GLYCOL × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.80 Å R-free 0.225
8A5B Crystal structure of human cathepsin L in complex with covalently bound MG-101 提交 2022-06-14 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 114–333（220 aa）
突变：T110A NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.80 Å R-free 0.225
8A5B Crystal structure of human cathepsin L in complex with covalently bound MG-101 提交 2022-06-14 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 C 114–333（220 aa）
突变：T110A PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.80 Å R-free 0.225
8A5B Crystal structure of human cathepsin L in complex with covalently bound MG-101 提交 2022-06-14 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 4 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 D 114–333（220 aa）
突变：T110A NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.80 Å R-free 0.225
8AHV Crystal structure of human cathepsin L in complex with calpain inhibitor XII 提交 2022-07-22 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 114–333（220 aa）
突变：T110A PGE TRIETHYLENE GLYCOL × 2 M6L (phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.70 Å R-free 0.207
8AHV Crystal structure of human cathepsin L in complex with calpain inhibitor XII 提交 2022-07-22 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 114–333（220 aa）
突变：T110A M6L (phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate × 1 EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.70 Å R-free 0.207
8AHV Crystal structure of human cathepsin L in complex with calpain inhibitor XII 提交 2022-07-22 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 114–333（220 aa）
突变：T110A M6L (phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate × 1 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.70 Å R-free 0.207
8AHV Crystal structure of human cathepsin L in complex with calpain inhibitor XII 提交 2022-07-22 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 114–333（220 aa）
突变：T110A M6L (phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate × 1 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.70 Å R-free 0.207
8B4F Crystal structure of human cathepsin L forming a thiohemiacetal with N-Boc-2-aminoacetaldehyde 提交 2022-09-20 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 114–333（220 aa）
突变：T110A OYU ~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate × 1 PGE TRIETHYLENE GLYCOL × 1 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.90 Å R-free 0.210
8B4F Crystal structure of human cathepsin L forming a thiohemiacetal with N-Boc-2-aminoacetaldehyde 提交 2022-09-20 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 114–333（220 aa）
突变：T110A OYU ~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate × 1 EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.90 Å R-free 0.210
8B4F Crystal structure of human cathepsin L forming a thiohemiacetal with N-Boc-2-aminoacetaldehyde 提交 2022-09-20 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 114–333（220 aa）
突变：T110A OYU ~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate × 1 EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.90 Å R-free 0.210
8B4F Crystal structure of human cathepsin L forming a thiohemiacetal with N-Boc-2-aminoacetaldehyde 提交 2022-09-20 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 114–333（220 aa）
突变：T110A OYU ~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate × 1 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 5 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.90 Å R-free 0.210
8B4F Crystal structure of human cathepsin L forming a thiohemiacetal with N-Boc-2-aminoacetaldehyde 提交 2022-09-20 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 5 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric
链 A 114–333（220 aa）
链 B 114–333（220 aa）
链 C 114–333（220 aa）
链 D 114–333（220 aa）
突变：T110A 突变：T110A 突变：T110A 突变：T110A OYU ~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate × 4 PGE TRIETHYLENE GLYCOL × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 8 PEG DI(HYDROXYETHYL)ETHER × 9 NA SODIUM ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.90 Å R-free 0.210
8C77 Human cathepsin L after reaction with the thiocarbazate inhibitor CID 16725315 提交 2023-01-12 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 114–333（220 aa）
突变：T110A TXH ~{tert}-butyl ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(2-methanoylhydrazinyl)-1-oxidanylidene-propan-2-yl]carbamate × 1 EDO 1,2-ETHANEDIOL × 4 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.70 Å R-free 0.197
8C77 Human cathepsin L after reaction with the thiocarbazate inhibitor CID 16725315 提交 2023-01-12 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 114–333（220 aa）
突变：T110A TXH ~{tert}-butyl ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(2-methanoylhydrazinyl)-1-oxidanylidene-propan-2-yl]carbamate × 1 EDO 1,2-ETHANEDIOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 DMS DIMETHYL SULFOXIDE × 4 PEG DI(HYDROXYETHYL)ETHER × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.70 Å R-free 0.197
8C77 Human cathepsin L after reaction with the thiocarbazate inhibitor CID 16725315 提交 2023-01-12 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 114–333（220 aa）
突变：T110A TXH ~{tert}-butyl ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(2-methanoylhydrazinyl)-1-oxidanylidene-propan-2-yl]carbamate × 1 EDO 1,2-ETHANEDIOL × 2 PG4 TETRAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.70 Å R-free 0.197
8C77 Human cathepsin L after reaction with the thiocarbazate inhibitor CID 16725315 提交 2023-01-12 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 114–333（220 aa）
突变：T110A TXH ~{tert}-butyl ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(2-methanoylhydrazinyl)-1-oxidanylidene-propan-2-yl]carbamate × 1 EDO 1,2-ETHANEDIOL × 1 PG4 TETRAETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.70 Å R-free 0.197
8GX2 The crystal structure of human CtsL in complex with 14c 提交 2022-09-18 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 1–333（333 aa）
未记录 DMS DIMETHYL SULFOXIDE × 2 KJ0 N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；289.15 K；100mM sodium acetate (pH 4.1), 15% (w/v) PEG 2000, 8mg/ml protein
分辨率 2.00 Å R-free 0.232
8GX2 The crystal structure of human CtsL in complex with 14c 提交 2022-09-18 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 1–333（333 aa）
未记录 DMS DIMETHYL SULFOXIDE × 1 KJ0 N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；289.15 K；100mM sodium acetate (pH 4.1), 15% (w/v) PEG 2000, 8mg/ml protein
分辨率 2.00 Å R-free 0.232
8HET Crystal structure of CTSL in complex with E64d 提交 2022-11-08 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 114–333（220 aa）
未记录 E6D ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；100mM Citric acid, 3M Sodium chloride, pH 3.5
分辨率 2.00 Å R-free 0.213
8HFV Crystal structure of CTSL in complex with K777 提交 2022-11-12 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 114–333（220 aa）
未记录 ZN ZINC ION × 7 CAC CACODYLATE ION × 2 0IW Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；9% (v/v) 2-propanol, 90mM Sodium cacodylate/ Hydrochloric acid pH 6.5, 180mM Zinc acetate, 0.5% w/v n-dodecyl-N,N-dimethylamine-N-oxide
分辨率 2.10 Å R-free 0.242
8HFV Crystal structure of CTSL in complex with K777 提交 2022-11-12 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 114–333（220 aa）
未记录 ZN ZINC ION × 7 CAC CACODYLATE ION × 2 0IW Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；9% (v/v) 2-propanol, 90mM Sodium cacodylate/ Hydrochloric acid pH 6.5, 180mM Zinc acetate, 0.5% w/v n-dodecyl-N,N-dimethylamine-N-oxide
分辨率 2.10 Å R-free 0.242
8HFV Crystal structure of CTSL in complex with K777 提交 2022-11-12 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 114–333（220 aa）
未记录 ZN ZINC ION × 7 CAC CACODYLATE ION × 2 0IW Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；9% (v/v) 2-propanol, 90mM Sodium cacodylate/ Hydrochloric acid pH 6.5, 180mM Zinc acetate, 0.5% w/v n-dodecyl-N,N-dimethylamine-N-oxide
分辨率 2.10 Å R-free 0.242
8HFV Crystal structure of CTSL in complex with K777 提交 2022-11-12 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 114–333（220 aa）
未记录 ZN ZINC ION × 7 CAC CACODYLATE ION × 2 0IW Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；9% (v/v) 2-propanol, 90mM Sodium cacodylate/ Hydrochloric acid pH 6.5, 180mM Zinc acetate, 0.5% w/v n-dodecyl-N,N-dimethylamine-N-oxide
分辨率 2.10 Å R-free 0.242
8OFA Crystal structure of human cathepsin L interacting with tosyl phenylalanyl chloromethyl ketone (TPCK) 提交 2023-03-14 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 114–333（220 aa）
突变：T110A TQ8 N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide × 1 EDO 1,2-ETHANEDIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 2 DMS DIMETHYL SULFOXIDE × 3 PGE TRIETHYLENE GLYCOL × 1 PG5 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE × 1 VLF 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.90 Å R-free 0.217
8OFA Crystal structure of human cathepsin L interacting with tosyl phenylalanyl chloromethyl ketone (TPCK) 提交 2023-03-14 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 114–333（220 aa）
突变：T110A TQ8 N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide × 1 EDO 1,2-ETHANEDIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.90 Å R-free 0.217
8OFA Crystal structure of human cathepsin L interacting with tosyl phenylalanyl chloromethyl ketone (TPCK) 提交 2023-03-14 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 114–333（220 aa）
突变：T110A TQ8 N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide × 1 EDO 1,2-ETHANEDIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 3 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.90 Å R-free 0.217
8OFA Crystal structure of human cathepsin L interacting with tosyl phenylalanyl chloromethyl ketone (TPCK) 提交 2023-03-14 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 114–333（220 aa）
突变：T110A TQ8 N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide × 1 EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 2 PGE TRIETHYLENE GLYCOL × 2 VLF 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.90 Å R-free 0.217
8OZA Human cathepsin L in complex with covalently bound CA-074 methyl ester 提交 2023-05-08 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 114–333（220 aa）
突变：T110A WRH methyl (2S)-1-[(2S,3S)-3-methyl-2-[[(3S)-3-oxidanyl-4-oxidanylidene-4-(propylamino)butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.80 Å R-free 0.198
8OZA Human cathepsin L in complex with covalently bound CA-074 methyl ester 提交 2023-05-08 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 114–333（220 aa）
突变：T110A WRH methyl (2S)-1-[(2S,3S)-3-methyl-2-[[(3S)-3-oxidanyl-4-oxidanylidene-4-(propylamino)butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 2 ACT ACETATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.80 Å R-free 0.198
8OZA Human cathepsin L in complex with covalently bound CA-074 methyl ester 提交 2023-05-08 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 114–333（220 aa）
突变：T110A WRH methyl (2S)-1-[(2S,3S)-3-methyl-2-[[(3S)-3-oxidanyl-4-oxidanylidene-4-(propylamino)butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.80 Å R-free 0.198
8OZA Human cathepsin L in complex with covalently bound CA-074 methyl ester 提交 2023-05-08 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 114–333（220 aa）
突变：T110A WRH methyl (2S)-1-[(2S,3S)-3-methyl-2-[[(3S)-3-oxidanyl-4-oxidanylidene-4-(propylamino)butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.80 Å R-free 0.198
8PRX Crystal structure of human cathepsin L after reaction with the bound ketoamide inhibitor 13b 提交 2023-07-12 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 × 4 PDB 声明：tetrameric
链 A 114–333（220 aa）
链 B 114–333（220 aa）
链 C 114–333（220 aa）
链 D 114–333（220 aa）
突变：T110A 突变：T110A 突变：T110A 突变：T110A KH0 ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate × 4 DMS DIMETHYL SULFOXIDE × 11 PEG DI(HYDROXYETHYL)ETHER × 8 PG4 TETRAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 10 PGE TRIETHYLENE GLYCOL × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.80 Å R-free 0.203
8QKB Crystal structure of human cathepsin L in complex with the vinyl sulfone inhibitor K777 提交 2023-09-14 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 × 4 PDB 声明：tetrameric
链 A 114–333（220 aa）
链 B 114–333（220 aa）
链 C 114–333（220 aa）
链 D 114–333（220 aa）
突变：T110A 突变：T110A 突变：T110A 突变：T110A D1R NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE × 4 PG4 TETRAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 12 PEG DI(HYDROXYETHYL)ETHER × 5 DMS DIMETHYL SULFOXIDE × 6 PGE TRIETHYLENE GLYCOL × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.
分辨率 1.60 Å R-free 0.187
8UAC CATHEPSIN L IN COMPLEX WITH AC1115 提交 2023-09-20 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 × 2 PDB 声明：dimeric
链 A 114–333（220 aa）
链 B 114–333（220 aa）
未记录 W28 N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M NaAc, pH 5.5, 25% PEG 3350
分辨率 1.40 Å R-free 0.239

共 63 个其他 PDB 条目、156 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 CATL_HUMAN
Isoform —
PDB实体 2
链与序列区间 作者链 B； PDB构建体 1–221； UniProt 113–333

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 2nqd

P(r) 距离分布 P(r) Distribution

P(r) distribution for 2nqd
下载 Download
▼

2. 结构基本信息 2. Structure Basics

条目编号 entry_id2nqd
沉积日期 deposition_date2006-10-31
结构标题 titleCrystal structure of cysteine protease inhibitor, chagasin, in complex with human cathepsin L
关键词 keywordschagasin-cathepsin L complex, three prong inhibition mode, HYDROLASE INHIBITOR-HYDROLASE COMPLEX; HYDROLASE INHIBITOR/HYDROLASE
实验方法 methodX-RAY DIFFRACTION
▼

3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier22.40 Å
回转半径 Rg (电子) rg_electron21.85 Å
零角强度 I(0) i024511900.00
分子量 molecular_weight36628.0 kDa
排除体积 excluded_volume45230 ų
包络体积 envelope_volume52963 ų
水化壳体积 shell_volume21117 ų
包络直径 envelope_diameter84.0 Å
壳层 Rg shell_rg27.72 Å
包络 Rg envelope_rg22.34 Å
形状 Rg shape_rg21.81 Å
总 Rg total_rg22.72 Å
总原子数 total_atoms2578
残基数 n_residues329
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
▼

4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax79.1 Å
Rg (实空间) rg_real22.48 Å
Rg 误差 (实空间) rg_real_error0.77 Å
I(0) (实空间) i0_real2.4510e+07
I(0) 误差 (实空间) i0_real_error3.4850e+05
Rg (倒空间) rg_reciprocal22.46 Å
I(0) (倒空间) i0_reciprocal24510000.0000
解质量估计 total_estimate0.7730
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks3
主峰位置 r_peak_primary24.0 Å
偏度 Skewness skewness0.493
峰度 Kurtosis kurtosis-0.127
角度范围 angular_range— – 0.3550 Å−1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha7665000.0000
实空间数据点数 n_real_points67
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.709; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.920; Smooth: 0.000
▶

5. 晶体学与实验 5. Crystallography & Experiment

▶

6. 实体与聚合物信息 Entities & Polymers (6)

▼

7. 折叠分类 (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

结构域编号 domain_idd2nqda_
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.26 — ICP-like
家族 Family familyb.1.26.1 — ICP-like
结构域编号 domain_idd2nqdb_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.3 — Cysteine proteinases
超家族 Superfamily superfamilyd.3.1 — Cysteine proteinases
家族 Family familyd.3.1.0 — automated matches

CATH v4.4 (2 domains)

结构域编号 domain_id2nqdA00
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily2020 —
结构域编号 domain_id2nqdB00
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology70 — Cathepsin B; Chain A
同源超家族 H-superfamily homologous superfamily10 — Cysteine proteinases
▶

8. 引用文献 (1)

▶

9. 文件与曲线 (10)