当前蛋白身份:P78536 重新检索
本组结构的主要差异维度
构建体不同 突变/修饰不同 组装状态不同 配体/离子不同 实验方法不同 实验环境不同 结构质量指标不同

差异标签只比较当前检索结果;所有PDB和assembly原始记录仍分别保留。

相关结构差异明细

一行代表一个 PDB 条目中的一个 biological assembly;同一蛋白的多个单体会分别列出。

PDB 条目 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 实验环境 结构质量
1BKC CATALYTIC DOMAIN OF TNF-ALPHA CONVERTING ENZYME (TACE) 提交 1998-04-23 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 219–474(256 aa)
突变:S266A, N452Q ZN ZINC ION × 1 INN N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 5.4;pH 5.4
分辨率 2.00 Å R-free 0.270
1BKC CATALYTIC DOMAIN OF TNF-ALPHA CONVERTING ENZYME (TACE) 提交 1998-04-23 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 E 219–474(256 aa)
突变:S266A, N452Q ZN ZINC ION × 1 INN N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 5.4;pH 5.4
分辨率 2.00 Å R-free 0.270
1BKC CATALYTIC DOMAIN OF TNF-ALPHA CONVERTING ENZYME (TACE) 提交 1998-04-23 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 C 219–474(256 aa)
突变:S266A, N452Q ZN ZINC ION × 1 INN N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 5.4;pH 5.4
分辨率 2.00 Å R-free 0.270
1BKC CATALYTIC DOMAIN OF TNF-ALPHA CONVERTING ENZYME (TACE) 提交 1998-04-23 Assembly 4 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 I 219–474(256 aa)
突变:S266A, N452Q ZN ZINC ION × 1 INN N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 5.4;pH 5.4
分辨率 2.00 Å R-free 0.270
1ZXC Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor 提交 2005-06-07 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 215–477(263 aa)
突变:yes ZN ZINC ION × 1 IH6 (3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 5.4;292 K;PEG 4000, isopropanol, NaCitrate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K
分辨率 2.28 Å R-free 0.285
1ZXC Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor 提交 2005-06-07 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 215–477(263 aa)
突变:yes ZN ZINC ION × 1 IH6 (3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 5.4;292 K;PEG 4000, isopropanol, NaCitrate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K
分辨率 2.28 Å R-free 0.285
2A8H Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor 提交 2005-07-08 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 215–477(263 aa) 片段:catalytic domain
突变:S266A, N452Q ZN ZINC ION × 1 4NH 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 5.4;292 K;PEG 4000, isopropanol, NaCitrate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K
分辨率 2.30 Å R-free 0.281
2A8H Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor 提交 2005-07-08 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 215–477(263 aa) 片段:catalytic domain
突变:S266A, N452Q ZN ZINC ION × 1 4NH 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 5.4;292 K;PEG 4000, isopropanol, NaCitrate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K
分辨率 2.30 Å R-free 0.281
2DDF Crystal structure of TACE in complex with TAPI-2 提交 2006-01-28 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 218–474(257 aa)
突变:S266A, V353G, Q452N ZN ZINC ION × 1 CA CALCIUM ION × 1 INN N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide × 1 IPA ISOPROPYL ALCOHOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6K, 10% 2-PROPANOL, 100 MM SODIUM CITRATE BUFFER , pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 1.70 Å R-free 0.230
2DDF Crystal structure of TACE in complex with TAPI-2 提交 2006-01-28 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 218–474(257 aa)
突变:S266A, V353G, Q452N ZN ZINC ION × 1 INN N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide × 1 IPA ISOPROPYL ALCOHOL × 3 IMD IMIDAZOLE × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6K, 10% 2-PROPANOL, 100 MM SODIUM CITRATE BUFFER , pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 1.70 Å R-free 0.230
2FV5 Crystal structure of TACE in complex with IK682 提交 2006-01-30 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 216–475(260 aa)
突变:S266A, V353G, Q452N ZN ZINC ION × 1 541 (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6K, 10% 2-Propanol, 100 mM sodium citrate buffer, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 2.10 Å R-free 0.256
2FV5 Crystal structure of TACE in complex with IK682 提交 2006-01-30 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 216–475(260 aa)
突变:S266A, V353G, Q452N ZN ZINC ION × 1 541 (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6K, 10% 2-Propanol, 100 mM sodium citrate buffer, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 2.10 Å R-free 0.256
2FV9 Crystal structure of TACE in complex with JMV 390-1 提交 2006-01-30 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 218–475(258 aa)
突变:S266A, V353G, Q452N ZN ZINC ION × 1 INN N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION;pH 5.6;295 K;15% PEG 6k, 10% 2-Propanol, 100 mM sodium citrate, pH 5.6, VAPOR DIFFUSION, temperature 295K
分辨率 2.02 Å R-free 0.264
2FV9 Crystal structure of TACE in complex with JMV 390-1 提交 2006-01-30 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 218–475(258 aa)
突变:S266A, V353G, Q452N ZN ZINC ION × 1 002 N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION;pH 5.6;295 K;15% PEG 6k, 10% 2-Propanol, 100 mM sodium citrate, pH 5.6, VAPOR DIFFUSION, temperature 295K
分辨率 2.02 Å R-free 0.264
2I47 Crystal structure of catalytic domain of TACE with inhibitor 提交 2006-08-21 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 212–492(281 aa) 片段:catalytic domain
突变:S266A, N452Q ZN ZINC ION × 1 INN N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 5.4;292 K;20% PEG4000, 20% isopropanol, 0.1M sodium Citrate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K
分辨率 1.90 Å R-free 0.227
2I47 Crystal structure of catalytic domain of TACE with inhibitor 提交 2006-08-21 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 212–492(281 aa) 片段:catalytic domain
突变:S266A, N452Q ZN ZINC ION × 1 INN N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 5.4;292 K;20% PEG4000, 20% isopropanol, 0.1M sodium Citrate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K
分辨率 1.90 Å R-free 0.227
2I47 Crystal structure of catalytic domain of TACE with inhibitor 提交 2006-08-21 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 C 212–492(281 aa) 片段:catalytic domain
突变:S266A, N452Q ZN ZINC ION × 1 KGY 4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}METHYL)-1-[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]-N-HYDROXYPIPERIDINE-4-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 5.4;292 K;20% PEG4000, 20% isopropanol, 0.1M sodium Citrate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K
分辨率 1.90 Å R-free 0.227
2I47 Crystal structure of catalytic domain of TACE with inhibitor 提交 2006-08-21 Assembly 4 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 D 212–492(281 aa) 片段:catalytic domain
突变:S266A, N452Q ZN ZINC ION × 1 KGY 4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}METHYL)-1-[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]-N-HYDROXYPIPERIDINE-4-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 5.4;292 K;20% PEG4000, 20% isopropanol, 0.1M sodium Citrate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K
分辨率 1.90 Å R-free 0.227
2M2F The membran-proximal domain of ADAM17 提交 2012-12-20 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 581–642(62 aa) 片段:UNP residues 581-642
未记录 未记录非水小分子 SOLUTION NMR
NMR测量条件 pH 7.4;300 K;离子强度(mmCIF原始值)0.15;压力 ambient
NMR样品组成 1.0 mM [U-100% 13C; U-100% 15N] protein, 90% H2O/10% D2O | 90% H2O/10% D2O
分辨率未提供
2OI0 Crystal structure analysis 0f the TNF-a Coverting Enzyme (TACE) in complexed with Aryl-sulfonamide 提交 2007-01-10 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 216–477(262 aa) 片段:TACE Proteinase domain (Residues 216-477)
突变:S266A, N452Q ZN ZINC ION × 1 283 (3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-3-THIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 6.5;298 K;30% PGME 550, 0.1M BIS-TRIS, 50 mM CaCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
分辨率 2.00 Å R-free 0.268
3B92 Novel thio-based TACE inhibitors Part 2: Rational design, synthesis and SAR of thiol-contaning aryl sufones 提交 2007-11-02 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 216–474(259 aa) 片段:TACE proteinase domain, UNP residues 216-474
突变:S266A, N452Q ZN ZINC ION × 2 440 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 6.5;298 K;30% PEGMME 550, 0.1M BIS-TRIS, 50mM CaCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 2.00 Å R-free 0.280
3CKI Crystal structure of the TACE-N-TIMP-3 complex 提交 2008-03-15 Assembly 1 蛋白异源复合物 异源复合物;蛋白 × 2 PDB 声明:dimeric(2) 与蛋白数一致
链 A 219–474(256 aa) 片段:TACE catalytic domain (UNP RESIDUES 219-474)
突变:S266A, N452Q ZN ZINC ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 pH 4.5;309 K;100 mM sodium acetate/acetic acid, 25% polyethylene glycol 3,350, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 309K
分辨率 2.30 Å R-free 0.284
3E8R Crystal structure of catalytic domain of TACE with hydroxamate inhibitor 提交 2008-08-20 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 215–477(263 aa) 片段:catalytic domain, UNP residues 215-477
突变:S266A, V353G, Q452N ZN ZINC ION × 1 615 (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide × 1 INN N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6000, 10% 2-Propanol, 100mM sodium citrate buffer, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 1.90 Å R-free 0.226
3E8R Crystal structure of catalytic domain of TACE with hydroxamate inhibitor 提交 2008-08-20 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 215–477(263 aa) 片段:catalytic domain, UNP residues 215-477
突变:S266A, V353G, Q452N ZN ZINC ION × 1 615 (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6000, 10% 2-Propanol, 100mM sodium citrate buffer, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 1.90 Å R-free 0.226
3EDZ Crystal structure of catalytic domain of TACE with hydroxamate inhibitor 提交 2008-09-03 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 215–477(263 aa) 片段:UNP residues 215-477
突变:S266A, V353G, N452Q ZN ZINC ION × 1 INN N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6000, 10% 2-Propanol, 100 mM sodium citrate buffer, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 1.90 Å R-free 0.204
3EDZ Crystal structure of catalytic domain of TACE with hydroxamate inhibitor 提交 2008-09-03 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 215–477(263 aa) 片段:UNP residues 215-477
突变:S266A, V353G, N452Q ZN ZINC ION × 1 CIT CITRIC ACID × 1 550 methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6000, 10% 2-Propanol, 100 mM sodium citrate buffer, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 1.90 Å R-free 0.204
3EWJ Crystal structure of catalytic domain of TACE with carboxylate inhibitor 提交 2008-10-15 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 215–477(263 aa) 片段:catalytic domain, UNP residues 215-477
突变:S266A, V353G, Q452N ZN ZINC ION × 1 INN N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6000, 10% 2-Propanol, 100 mM sodium citrate, pH 5.6, VAPOR DIFFUSION, temperature 295K, VAPOR DIFFUSION, HANGING DROP
分辨率 1.80 Å R-free 0.210
3EWJ Crystal structure of catalytic domain of TACE with carboxylate inhibitor 提交 2008-10-15 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 215–477(263 aa) 片段:catalytic domain, UNP residues 215-477
突变:S266A, V353G, Q452N ZN ZINC ION × 1 642 (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6000, 10% 2-Propanol, 100 mM sodium citrate, pH 5.6, VAPOR DIFFUSION, temperature 295K, VAPOR DIFFUSION, HANGING DROP
分辨率 1.80 Å R-free 0.210
3G42 Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor 提交 2009-02-03 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 212–492(281 aa) 片段:catalytic domain
突变:S266A, N452Q 792 N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 5.4;292 K;PEG4k, isopropanol, NaCitrate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K
分辨率 2.10 Å R-free 0.257
3G42 Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor 提交 2009-02-03 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 212–492(281 aa) 片段:catalytic domain
突变:S266A, N452Q 792 N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 5.4;292 K;PEG4k, isopropanol, NaCitrate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K
分辨率 2.10 Å R-free 0.257
3G42 Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor 提交 2009-02-03 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 C 212–492(281 aa) 片段:catalytic domain
突变:S266A, N452Q 792 N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 5.4;292 K;PEG4k, isopropanol, NaCitrate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K
分辨率 2.10 Å R-free 0.257
3G42 Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor 提交 2009-02-03 Assembly 4 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 D 212–492(281 aa) 片段:catalytic domain
突变:S266A, N452Q 792 N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 5.4;292 K;PEG4k, isopropanol, NaCitrate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K
分辨率 2.10 Å R-free 0.257
3KMC Crystal structure of catalytic domain of TACE with tartrate-based inhibitor 提交 2009-11-10 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 215–476(262 aa) 片段:residues 215-476
突变:S266A, V353G, Q452N ZN ZINC ION × 1 INN N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION;pH 5.6;295 K;15% PEG 6000, 10% 2-Propanol, 100 mM sodium citrate, pH 5.6, VAPOR DIFFUSION, temperature 295K
分辨率 1.80 Å R-free 0.259
3KMC Crystal structure of catalytic domain of TACE with tartrate-based inhibitor 提交 2009-11-10 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 215–476(262 aa) 片段:residues 215-476
突变:S266A, V353G, Q452N ZN ZINC ION × 1 403 (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION;pH 5.6;295 K;15% PEG 6000, 10% 2-Propanol, 100 mM sodium citrate, pH 5.6, VAPOR DIFFUSION, temperature 295K
分辨率 1.80 Å R-free 0.259
3KME Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor 提交 2009-11-10 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 215–476(262 aa) 片段:residues 215-476
突变:S266A, V353G, Q452N ZN ZINC ION × 1 INN N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide × 1 IPA ISOPROPYL ALCOHOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION;pH 5.6;295 K;15% PEG 6000, 10% 2-Propanol, 100 mM sodium citrate, pH 5.6, VAPOR DIFFUSION, temperature 295K
分辨率 1.85 Å R-free 0.225
3KME Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor 提交 2009-11-10 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 215–476(262 aa) 片段:residues 215-476
突变:S266A, V353G, Q452N ZN ZINC ION × 1 Z59 (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION;pH 5.6;295 K;15% PEG 6000, 10% 2-Propanol, 100 mM sodium citrate, pH 5.6, VAPOR DIFFUSION, temperature 295K
分辨率 1.85 Å R-free 0.225
3L0T Crystal structure of catalytic domain of TACE with hydantoin inhibitor 提交 2009-12-10 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 215–476(262 aa) 片段:residues 215-476
突变:S266A, V353G, N452Q ZN ZINC ION × 1 INN N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide × 1 IPA ISOPROPYL ALCOHOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6k, 10% 2-Propanol, 100 mM sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 1.92 Å R-free 0.239
3L0T Crystal structure of catalytic domain of TACE with hydantoin inhibitor 提交 2009-12-10 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 215–476(262 aa) 片段:residues 215-476
突变:S266A, V353G, N452Q ZN ZINC ION × 1 IPA ISOPROPYL ALCOHOL × 1 Z94 N-{4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6k, 10% 2-Propanol, 100 mM sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 1.92 Å R-free 0.239
3L0V Crystal structure of catalytic domain of TACE with the first hydantoin inhibitor occupying the S1' pocket 提交 2009-12-10 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 215–476(262 aa) 片段:residues 215-476
突变:S266A, V353G, N452Q ZN ZINC ION × 1 724 (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6k, 10% 2-Propanol, 100 mM sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 1.75 Å R-free 0.208
3L0V Crystal structure of catalytic domain of TACE with the first hydantoin inhibitor occupying the S1' pocket 提交 2009-12-10 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 215–476(262 aa) 片段:residues 215-476
突变:S266A, V353G, N452Q ZN ZINC ION × 1 724 (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6k, 10% 2-Propanol, 100 mM sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 1.75 Å R-free 0.208
3LE9 Crystal structure of the catalytic domain of TACE with Indazolinone-phenyl-hydantoin inhibitor 提交 2010-01-14 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 215–476(262 aa) 片段:residues 215-476
突变:S266A, V353G, N452Q ZN ZINC ION × 1 727 (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione × 1 IPA ISOPROPYL ALCOHOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6K, 10% 2-PROPANOL, 100 MM SODIUM CITRATE, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 1.85 Å R-free 0.230
3LE9 Crystal structure of the catalytic domain of TACE with Indazolinone-phenyl-hydantoin inhibitor 提交 2010-01-14 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 215–476(262 aa) 片段:residues 215-476
突变:S266A, V353G, N452Q ZN ZINC ION × 1 727 (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6K, 10% 2-PROPANOL, 100 MM SODIUM CITRATE, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 1.85 Å R-free 0.230
3LEA Crystal structure of the catalytic domain of TACE with Isoindolinone-biphenyl-hydantoin inhibitor 提交 2010-01-14 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 215–476(262 aa) 片段:residues 215-476
突变:S266A, V353G, N452Q Z93 2-{[(4R)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1H-isoindolium × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6K, 10% 2-PROPANOL, 100 MM SODIUM ACETATE, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 2.00 Å R-free 0.219
3LEA Crystal structure of the catalytic domain of TACE with Isoindolinone-biphenyl-hydantoin inhibitor 提交 2010-01-14 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 215–476(262 aa) 片段:residues 215-476
突变:S266A, V353G, N452Q Z93 2-{[(4R)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1H-isoindolium × 1 ZN ZINC ION × 1 IPA ISOPROPYL ALCOHOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6K, 10% 2-PROPANOL, 100 MM SODIUM ACETATE, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 2.00 Å R-free 0.219
3LGP Crystal structure of catalytic domain of tace with benzimidazolyl-thienyl-tartrate based inhibitor 提交 2010-01-21 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 215–476(262 aa)
突变:S266A, V353G, N452Q ZN ZINC ION × 1 50X (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6K, 10% 2-PROPANOL, 100 MM SODIUM ACETATE, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 1.90 Å R-free 0.244
3LGP Crystal structure of catalytic domain of tace with benzimidazolyl-thienyl-tartrate based inhibitor 提交 2010-01-21 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 215–476(262 aa)
突变:S266A, V353G, N452Q ZN ZINC ION × 1 50X (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP;pH 5.6;295 K;15% PEG 6K, 10% 2-PROPANOL, 100 MM SODIUM ACETATE, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 1.90 Å R-free 0.244
3O64 Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides 提交 2010-07-28 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 215–476(262 aa) 片段:TACE
突变:S266A, V353G, N452Q IPA ISOPROPYL ALCOHOL × 1 INN N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide × 1 ZN ZINC ION × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION;pH 5.6;295 K;15% PEG 6K, 10% 2-Propanol, 100mM Sodium citrate buffer, pH 5.6, VAPOR DIFFUSION, temperature 295K
分辨率 1.88 Å R-free 0.218
3O64 Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides 提交 2010-07-28 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 215–476(262 aa) 片段:TACE
突变:S266A, V353G, N452Q IPA ISOPROPYL ALCOHOL × 4 ZN ZINC ION × 1 786 (2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION;pH 5.6;295 K;15% PEG 6K, 10% 2-Propanol, 100mM Sodium citrate buffer, pH 5.6, VAPOR DIFFUSION, temperature 295K
分辨率 1.88 Å R-free 0.218
8CQY Crystal structure of the PTPN3 PDZ domain bound to the PBM TACE C-terminal peptide 提交 2023-03-07 Assembly 1 蛋白异源复合物 异源复合物;蛋白 × 2 PDB 声明:dimeric(2) 与蛋白数一致
链 B 813–824(12 aa)
未记录 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;277.15 K;20% w/v PEG 3350, 0.2 M NaSCN at pH 7
分辨率 1.70 Å R-free 0.203
8SNL Structure of human ADAM17/iRhom2 sheddase complex 提交 2023-04-27 Assembly 1 蛋白异源复合物 异源复合物;蛋白 × 2 PDB 声明:dimeric(2) 与蛋白数一致
链 A 1–824(824 aa)
未记录 ZN ZINC ION × 1 CA CALCIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 8
cryo-EM玻璃化条件 冷冻剂 ETHANE
分辨率 2.78 Å
8SNM Structure of mature human ADAM17/iRhom2 sheddase complex in complex with ADAM17 prodomain 提交 2023-04-27 Assembly 1 蛋白异源复合物 异源复合物;蛋白 × 3 PDB 声明:trimeric(3) 与蛋白数一致
链 A 1–214(214 aa)
链 B 215–824(610 aa)
未记录 ZN ZINC ION × 1 CA CALCIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 8
cryo-EM玻璃化条件 冷冻剂 ETHANE
分辨率 3.84 Å
8SNN Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 1 提交 2023-04-27 Assembly 1 蛋白异源复合物 异源复合物;蛋白 × 2 PDB 声明:dimeric(2) 与蛋白数一致
链 A 215–824(610 aa)
未记录 CA CALCIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 8
cryo-EM玻璃化条件 冷冻剂 ETHANE
分辨率 2.32 Å
8SNO Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 2 提交 2023-04-27 Assembly 1 蛋白异源复合物 异源复合物;蛋白 × 2 PDB 声明:dimeric(2) 与蛋白数一致
链 A 215–824(610 aa)
未记录 CA CALCIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 8
cryo-EM玻璃化条件 冷冻剂 ETHANE
分辨率 2.78 Å
9E6K Fully human monoclonal antibody targeting the cysteine-rich substrate-interacting region of ADAM17 on cancer cells. 提交 2024-10-30 Assembly 1 蛋白异源复合物 异源复合物;蛋白 × 3 PDB 声明:trimeric(3) 与蛋白数一致
链 C 530–644(115 aa)
未记录 未记录非水小分子 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 7.4
cryo-EM玻璃化条件 冷冻剂 NITROGEN
分辨率 3.15 Å
9O54 ADAM17 Prodomain-Metalloproteinase Domains bound to MEDI3622 Fab 提交 2025-04-09 Assembly 1 蛋白异源复合物 异源复合物;蛋白 × 3 PDB 声明:trimeric(3) 与蛋白数一致
链 A 1–477(477 aa)
未记录 ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 8
cryo-EM玻璃化条件 冷冻剂 ETHANE
分辨率 3.50 Å
9O58 Zymogen ADAM17-iRhom2 complex bound by the MEDI3622 Fab 提交 2025-04-09 Assembly 1 信息不足 异源复合物;蛋白 × 4 PDB 声明:tetrameric(4) 与蛋白数一致
链 A 28–824(797 aa)
未记录 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 CA CALCIUM ION × 1 ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 8
cryo-EM玻璃化条件 冷冻剂 ETHANE
分辨率 3.53 Å
9Q7Y Zymogen ADAM17- iRhom1 Cytoplasmic Deletion (365) Complex Bound by the MEDI3622 Fab 提交 2025-08-25 Assembly 1 其他组合 异源复合物;蛋白 × 4 PDB 声明:tetrameric(4) 与蛋白数一致
链 B 28–698(671 aa)
未记录 CA CALCIUM ION × 1 ZN ZINC ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 8
cryo-EM玻璃化条件 冷冻剂 ETHANE
分辨率 3.35 Å
9XY4 Zymogen ADAM17- iRhom1 Cytoplasmic Deletion (370) Complex Bound by the MEDI3622 Fab 提交 2025-08-25 Assembly 1 其他组合 异源复合物;蛋白 × 4 PDB 声明:tetrameric(4) 与蛋白数一致
链 B 28–698(671 aa)
未记录 CA CALCIUM ION × 1 ZN ZINC ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 ELECTRON MICROSCOPY
cryo-EM缓冲液 pH 8
cryo-EM玻璃化条件 冷冻剂 ETHANE
分辨率 3.12 Å