当前蛋白身份：P00760
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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 |
|---|---|---|---|---|---|---|---|
| 1AQ7 TRYPSIN WITH INHIBITOR AERUGINOSIN 98-B 提交 1997-08-07 | 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 A
21–243（223 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.5；PROTEIN WAS CRYSTALLIZED FROM 10MG/ML TRYPSIN-LIGAND AGAINST 20% PEG-4000 AND 10% ISOPROPANOL IN 100MM PH 8.5 HEPES
|
分辨率 2.20 Å R-free 0.237 |
| 1AUJ BOVINE TRYPSIN COMPLEXED TO META-CYANO-BENZYLIC INHIBITOR 提交 1997-08-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 PPB 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6.6；pH 6.6
|
分辨率 2.10 Å |
| 1AZ8 BOVINE TRYPSIN COMPLEXED TO BIS-PHENYLAMIDINE INHIBITOR 提交 1997-11-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | IN4 +/-METHYL 4-(AMINOIMINOMETHYL)-BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.2；pH 8.2
|
分辨率 1.80 Å |
| 1BJU BETA-TRYPSIN COMPLEXED WITH ACPU 提交 1998-06-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 GP6 1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA × 1 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6；0.9 M AMMONIUM SULFATE, 0.005 M MES, 0.001 M CACL2, 0.0025 M BENZAMIDINE, PH 6.0
|
分辨率 1.80 Å |
| 1BJV BETA-TRYPSIN COMPLEXED WITH APPU 提交 1998-06-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 GP8 1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREA × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6；0.9 M AMMONIUM SULFATE, 0.005 M MES, 0.001 M CACL2 0.0025 M BENZAMIDINE PH 6.0
|
分辨率 1.80 Å |
| 1BTP UNIQUE BINDING OF A NOVEL SYNTHETIC INHIBITOR, N-[3-[4-[4-(AMIDINOPHENOXY)-CARBONYL]PHENYL]-2-METHYL-2-PROPENOYL]-N-ALLYLGLYCINE METHANESULFONATE TO BOVINE TRYPSIN, REVEALED BY THE CRYSTAL STRUCTURE OF THE COMPLEX 提交 1995-08-11 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.20 Å |
| 1BTW Episelection: novel KI ~nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface 提交 1995-05-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | 0ZW N-(tert-butoxycarbonyl)-L-alanyl-N-{(1S)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-L-valinamide × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.70 Å |
| 1BTX Episelection: Novel Ki ~Nanomolar Inhibitors of Serine Proteases Selected by Binding or Chemistry on an Enzyme Surface 提交 1995-05-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | 0ZX N-(tert-butoxycarbonyl)-L-alanyl-N-[(1S)-5-amino-1-(diethoxyboranyl)pentyl]-L-valinamide × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.70 Å |
| 1BTY Crystal structure of beta-trypsin in complex with benzamidine 提交 1995-05-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.50 Å |
| 1BTZ Episelection: novel KI ~nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface 提交 1995-05-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | 0ZY N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-L-valinamide × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.00 Å |
| 1C1N RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 ZN ZINC ION × 1 SO4 SULFATE ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.11；TRYPSIN-BENZAMIDINE, P3(1) 2 1 WERE GROWN BY VAPOR DIFFUSION, AS DESCRIBED FOR
P2(1) 2(1) 2(1) (LARGE CELL) (MANGEL, ET AL., BIOCHEMISTRY 29, 8351-8357, 1990)
THE CRYSTAL WAS SOAKED FOR 10 DAYS IN A CHLORIDE-FREE SOLUTION OF 1.02 M
MGSO4 . 7 H2O,1.62 M ZNSO4 . 7 H2O, 0.50 M ZINC ACETATE DIHYDRATE, PH 5.11.
THE SOAKING SOLUTION WAS PERIODICALLY REPLACED.
|
分辨率 1.40 Å R-free 0.214 |
| 1C1O RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 4.98；TRYPSIN-BENZAMIDINE, P3(1) 2 1 WERE GROWN BY VAPOR DIFFUSION, AS DESCRIBED FOR
P2(1) 2(1) 2(1) (LARGE CELL) (MANGEL, ET AL., BIOCHEMISTRY 29, 8351-8357, 1990)
THE CRYSTAL WAS TRANSFERRED TO 0.25 M MES, 1.53 M MGSO4 . 7 H2O, PH 4.98 AND
SOAKED FOR MANY DAYS DURING WHICH THE SOAKING SOLUTION WAS REPLACED TO REMOVE
BOUND BENZAMIDINE.
|
分辨率 1.40 Å R-free 0.231 |
| 1C1P RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 BAI (5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE × 1 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.9；TRYPSIN-BENZAMIDINE, P3(1) 2 1 WERE GROWN BY VAPOR DIFFUSION, AS DESCRIBED FOR
P2(1) 2(1) 2(1) (LARGE CELL) (MANGEL, ET AL., BIOCHEMISTRY 29, 8351-8357, 1990)
THE CRYSTAL WAS SOAKED IN A SOLUTION OF 0.10 M MES, 2.02 M MGSO4 . 7 H2O, PH
5.90, 2.0 % DMSO, SATURATED IN HEMI-BABIM OVER A PERIOD OF SEVERAL DAYS WITH
SEVERAL REPLACEMENTS OF THE SOAKING SOLUTION.
|
分辨率 1.37 Å R-free 0.192 |
| 1C1Q RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 BAI (5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.21；TRYPSIN-BENZAMIDINE, P3(1) 2 1 WERE GROWN BY VAPOR DIFFUSION, AS DESCRIBED FOR
P2(1) 2(1) 2(1) (LARGE CELL) (MANGEL, ET AL., BIOCHEMISTRY 29, 8351-8357, 1990)
THE CRYSTAL WAS SOAKED IN A SOLUTION OF 0.10 M TRIS, 2.02 M MGSO4 . 7 H2O, PH
8.21, 2.0 % DMSO, SATURATED IN HEMI-BABIM OVER A PERIOD OF SEVERAL DAYS WITH
SEVERAL REPLACEMENTS OF THE SOAKING SOLUTION.
|
分辨率 1.37 Å R-free 0.193 |
| 1C1R RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 ZN ZINC ION × 1 BAI (5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE × 1 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.2；TRYPSIN-BENZAMIDINE, P3(1) 2 1 WERE GROWN BY VAPOR DIFFUSION, AS DESCRIBED FOR
P2(1) 2(1) 2(1) (LARGE CELL) (MANGEL, ET AL., BIOCHEMISTRY 29, 8351-8357, 1990)
THE CRYSTAL WAS SOAKED IN A SOLUTION OF 0.24 M TRIS, 1.90 M MGSO4 . 7 H2O,
5.0 MM ZNSO4 . 7 H2O, PH 8.20 SATURATED IN HEMI-BABIM OVER A PERIOD OF SEVERAL
DAYS WITH SEVERAL REPLACEMENTS OF THE SOAKING SOLUTION.
|
分辨率 1.37 Å R-free 0.219 |
| 1C1S RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 NA SODIUM ION × 1 PO4 PHOSPHATE ION × 3 BAB BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6.1；TRYPSIN-BENZAMIDINE, P3(1) 2 1 WERE GROWN BY VAPOR DIFFUSION, AS DESCRIBED FOR
P2(1) 2(1) 2(1) (LARGE CELL) (MANGEL, ET AL., BIOCHEMISTRY 29, 8351-8357, 1990)
THE CRYSTAL WAS SOAKED IN A SOLUTION OF 1.25 M NA2PO4 . 7 H2O, 1.75 M KH2PO4,
2.0 % DMSO, SATURATED IN BABIM OVER A PERIOD OF 5 DAYS WITH SEVERAL
REPLACEMENTS OF THE SOAKING SOLUTION., pH 6.1
|
分辨率 1.63 Å R-free 0.206 |
| 1C1T RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 BAB BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.18；TRYPSIN-BENZAMIDINE, P3(1) 2 1 WERE GROWN BY VAPOR DIFFUSION, AS DESCRIBED FOR
P2(1) 2(1) 2(1) (LARGE CELL) (MANGEL, ET AL., BIOCHEMISTRY 29, 8351-8357, 1990)
THE CRYSTAL WAS SOAKED IN A SOLUTION OF 0.10 M TRIS, 2.02 M MGSO4 . 7 H2O, PH
8.18, 2.0 % DMSO, SATURATED IN BABIM OVER A PERIOD OF SEVERAL DAYS WITH
SEVERAL REPLACEMENTS OF THE SOAKING SOLUTION.
|
分辨率 1.37 Å R-free 0.194 |
| 1C2D RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 ZN ZINC ION × 2 BAK BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 9.93；BATCH, 1.51 M MGSO4.7H2O, 0.59 MM TRYPSIN, 1.0 MM ZN(II) 5.0 % DMSO:
CRYSTALLIZATION SOLUTION WAS SATURATED IN KETO-BABIM. CRYSTAL WAS TRANSFERRED
TO SYNTHETIC MOTHER LIQUOR CONTAINING ~0.4 MM ZN(II), PH 9.93 AND SOAKED FOR
SEVERAL DAYS WITH SEVERAL REPLACEMENTS OF SOAKING SOLUTIONS. THE SOLUTION WAS
SATURATED IN KETO-BABIM AND CONTAINED 2.0 % DMSO TO INCREASE INHIBITOR
SOLUBILITY.
|
分辨率 1.65 Å R-free 0.211 |
| 1C2E RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 ZN ZINC ION × 1 BAK BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 9；BATCH, 1.51 M MGSO4 . 7 H2O, 0.59 MM TRYPSIN, 1.0 MM ZN(II) 5.0 % DMSO:
CRYSTALLIZATION SOLUTION WAS SATURATED IN KETO-BABIM. CRYSTAL WAS TRANSFERRED
TO SYNTHETIC MOTHER LIQUOR CONTAINING ~0.4 MM ZN(II), PH 9.00 AND SOAKED FOR
SEVERAL DAYS WITH SEVERAL REPLACEMENTS OF SOAKING SOLUTIONS. THE SOLUTION WAS
SATURATED IN KETO-BABIM AND CONTAINED 2.0 % DMSO TO INCREASE INHIBITOR
SOLUBILITY.
|
分辨率 1.65 Å R-free 0.212 |
| 1C2F RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 ZN ZINC ION × 3 BAH BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE × 1 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8；BATCH, 1.51 M MGSO4 . 7 H2O, 0.59 MM TRYPSIN, 1.0 MM ZN(II) 5.0 % DMSO:
CRYSTALLIZATION SOLUTION WAS SATURATED IN KETO-BABIM. CRYSTAL WAS TRANSFERRED
TO SYNTHETIC MOTHER LIQUOR CONTAINING 9.0 MM ZN(II), PH 8.00 AND SOAKED FOR
SEVERAL DAYS WITH SEVERAL REPLACEMENTS OF SOAKING SOLUTIONS. THE SOLUTION WAS
SATURATED IN KETO-BABIM AND CONTAINED 2.0 % DMSO TO INCREASE INHIBITOR
SOLUBILITY.
|
分辨率 1.70 Å R-free 0.241 |
| 1C2G RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 ZN ZINC ION × 3 BAH BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE × 1 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7；BATCH, 1.51 M MGSO4 . 7 H2O, 0.59 MM TRYPSIN, 1.0 MM ZN(II) 5.0 % DMSO:
CRYSTALLIZATION SOLUTION WAS SATURATED IN KETO-BABIM. CRYSTAL WAS TRANSFERRED
TO SYNTHETIC MOTHER LIQUOR CONTAINING 46 MM ZN(II), PH 7.00 AND SOAKED FOR
SEVERAL DAYS WITH SEVERAL REPLACEMENTS OF SOAKING SOLUTIONS. THE SOLUTION WAS
SATURATED IN KETO-BABIM AND CONTAINED 2.0 % DMSO TO INCREASE INHIBITOR
SOLUBILITY.
|
分辨率 1.65 Å R-free 0.200 |
| 1C2H RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 ZN ZINC ION × 3 BAK BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6.04；BATCH, 1.51 M MGSO4 . 7 H2O, 0.59 MM TRYPSIN, 1.0 MM ZN(II) 5.0 % DMSO:
CRYSTALLIZATION SOLUTION WAS SATURATED IN KETO-BABIM. CRYSTAL WAS TRANSFERRED
TO SYNTHETIC MOTHER LIQUOR CONTAINING 46 MM ZN(II), PH 6.04 AND SOAKED FOR
SEVERAL DAYS WITH SEVERAL REPLACEMENTS OF SOAKING SOLUTIONS. THE SOLUTION WAS
SATURATED IN KETO-BABIM AND CONTAINED 2.0 % DMSO TO INCREASE INHIBITOR
SOLUBILITY.
|
分辨率 1.40 Å R-free 0.218 |
| 1C2I RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 ZN ZINC ION × 3 BAK BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE × 1 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.5；BATCH, 1.51 M MGSO4 . 7 H2O, 0.59 MM TRYPSIN, 1.0 MM ZN(II) 5.0 % DMSO:
CRYSTALLIZATION SOLUTION WAS SATURATED IN KETO-BABIM. CRYSTAL WAS TRANSFERRED
TO SYNTHETIC MOTHER LIQUOR CONTAINING 46 MM ZN(II), PH 5.50 AND SOAKED FOR
SEVERAL DAYS WITH SEVERAL REPLACEMENTS OF SOAKING SOLUTIONS. THE SOLUTION WAS
SATURATED IN KETO-BABIM AND CONTAINED 2.0 % DMSO TO INCREASE INHIBITOR
SOLUBILITY.
|
分辨率 1.47 Å R-free 0.208 |
| 1C2J RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 ZN ZINC ION × 1 BAK BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.06；BATCH, 1.51 M MGSO4 . 7 H2O, 0.59 MM TRYPSIN, 1.0 MM ZN(II) 5.0 % DMSO:
CRYSTALLIZATION SOLUTION WAS SATURATED IN KETO-BABIM. CRYSTAL WAS TRANSFERRED
TO SYNTHETIC MOTHER LIQUOR CONTAINING 100 NM ZN(II), PH 7.06 AND SOAKED FOR
SEVERAL DAYS WITH SEVERAL REPLACEMENTS OF SOAKING SOLUTIONS. THE SOLUTION WAS
SATURATED IN KETO-BABIM AND CONTAINED 2.0 % DMSO TO INCREASE INHIBITOR
SOLUBILITY.
|
分辨率 1.40 Å R-free 0.219 |
| 1C2K RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 ZN ZINC ION × 2 ABI 5-AMIDINO-BENZIMIDAZOLE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 3.85；BATCH, 1.51 M MGSO4 . 7 H2O, 0.59 MM TRYPSIN, 1.0 MM ZN(II) 5.0 % DMSO:
CRYSTALLIZATION SOLUTION WAS SATURATED IN KETO-BABIM. CRYSTAL WAS TRANSFERRED
TO SYNTHETIC MOTHER LIQUOR CONTAINING 2.11 M ZN(II), PH 3.85 AND SOAKED FOR
SEVERAL DAYS WITH SEVERAL REPLACEMENTS OF SOAKING SOLUTIONS. THE SOLUTION WAS
SATURATED IN KETO-BABIM AND CONTAINED 2.0 % DMSO TO INCREASE INHIBITOR
SOLUBILITY. UNDER THIS CONDITION KETO-BABIM UNDERGOES DECOMPOSITION TO 5-
AMIDINO-BENZIMIDAZOLE.
|
分辨率 1.65 Å R-free 0.243 |
| 1C2L RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 ZN ZINC ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 4.86；TRYPSIN-BENZAMIDINE, P3(1) 2 1 WERE GROWN BY VAPOR DIFFUSION, AS DESCRIBED FOR
P2(1) 2(1) 2(1) (LARGE CELL) (MANGEL, ET AL., BIOCHEMISTRY 29, 8351-8357, 1990)
A CRYSTAL WAS SOAKED FOR 25 DAYS IN 2.11 M ZN+2, 250 MM CL-, PH 4.86 IN THE
ABSENCE OF AN INHIBITOR. THIS SOLUTION WAS REPLACED ONCE EVERY DAY OR TWO TO
REMOVE BOUND BENZAMIDINE AND TO INCORPORATE ZN+2 AT THE ACTIVE SITE.
|
分辨率 1.50 Å R-free 0.224 |
| 1C2M RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 ZN ZINC ION × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 4.98；TRYPSIN-BENZAMIDINE, P3(1) 2 1 WERE GROWN BY VAPOR DIFFUSION, AS DESCRIBED FOR
P2(1) 2(1) 2(1) (LARGE CELL) (MANGEL, ET AL., BIOCHEMISTRY 29, 8351-8357, 1990)
THE CRYSTAL WAS SOAKED FOR 25 DAYS IN 2.11 M ZN+2, 250 MM CL-, PH 4.86 IN THE
ABSENCE OF AN INHIBITOR. THIS SOLUTION WAS REPLACED ONCE EVERY DAY OR TWO TO
REMOVE BOUND BENZAMIDINE AND TO INCORPORATE ZN+2 AT THE ACTIVE SITE. IT WAS
THEN SOAKED IN CHLORIDE-FREE SOLUTION OF 1.02 MGSO4 . 7H2O, 1.62 M ZNSO4 . 7
H2O, 0.50 M ZINC ACETATE DIHYDRATE, PH 4.98 FOR 10 DAYS DURING WHICH THE
SOAKING SOLUTION WAS REPLACED ONCE A DAY.
|
分辨率 1.40 Å R-free 0.234 |
| 1C5P STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR 提交 1999-12-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
7–229（223 aa）
|
未记录 | CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7.5；trypsin-benzamidine, P2(1)2(1)2(1) were grown by
vapor diffusion, as described for P2(1) 2(1) 2(1)
(large cell) (Mangel, et al., Biochemistry 29, 8351-8357, 1990)
The crystal was soaked in a solution of 85 % saturated MgSO4 . 7 H2O,
1 mM CaCl2, 2.0 % DMSO, 100 mM Tris, pH 7.50., VAPOR DIFFUSION
|
分辨率 1.43 Å R-free 0.221 |
| 1C5Q STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR 提交 1999-12-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
7–229（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 ESI 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.2；trypsin-benzamidine, P2(1)2(1)2(1) were grown by
vapor diffusion, as described for P2(1) 2(1) 2(1)
(large cell) (Mangel, et al., Biochemistry 29, 8351-8357, 1990)
The crystal was soaked in a solution of 85 % MgSO4 . 7 H2O,
1 mM CaCl2, 2.0 % DMSO, saturated with inhibitor, 100 mM Tris,
pH 8.20 over a period of several days with several replacements
of the soaking solution.
|
分辨率 1.43 Å R-free 0.221 |
| 1C5R STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR 提交 1999-12-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
7–229（223 aa）
|
未记录 | FLC CITRATE ANION × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 2 ESI 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.5；trypsin-benzamidine, P3(1) 2 1 were grown by vapor
diffusion, as described for P2(1) 2(1) 2(1)
(large cell) (Mangel, et al., Biochemistry 29, 8351-8357, 1990)
The crystal was soaked in a solution of 85 % saturated citrate,
1 mM CaCl2, 2.0 % DMSO, saturated with inhibitor, pH 5.50 over
a period of several days with several replacements of the
soaking solution.
|
分辨率 1.47 Å R-free 0.229 |
| 1C5S STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR 提交 1999-12-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
7–229（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 6 ESX BENZO[B]THIOPHENE-2-CARBOXAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.2；trypsin-benzamidine, P3(1) 2 1 were grown by
vapor diffusion, as described for P2(1) 2(1) 2(1) (large cell)
(Mangel, et al., Biochemistry 29, 8351-8357, 1990) The crystal was soaked
in a solution of 85 % saturated MgSO4 . 7 H2O, 100 mM Tris, 1 mM CaCl2,
2.0 % DMSO,saturated with inhibitor, pH 8.20 over a period of several
days with several replacements of the soaking solution., VAPOR DIFFUSION
|
分辨率 1.36 Å R-free 0.224 |
| 1C5T STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR 提交 1999-12-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
7–229（223 aa）
|
未记录 | CA CALCIUM ION × 1 ESP THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.2；trypsin-benzamidine, P3(1) 2 1 were grown by
vapor diffusion, as described for P2(1) 2(1) 2(1)
(large cell) (Mangel, et al., Biochemistry 29, 8351-8357, 1990)
The crystal was soaked in a solution of 1.73 M MgSO4 . 7 H2O,
150 mM Tris, 1 mM CaCl2, 2.0 % DMSO,saturated with inhibitor,
pH 8.20 over a period of several days with several replacements
of the soaking solution.
|
分辨率 1.37 Å R-free 0.195 |
| 1C5U STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR 提交 1999-12-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
7–229（223 aa）
|
未记录 | CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 ESP THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 5.5；trypsin-benzamidine, P3(1) 2 1 were grown by vapor
diffusion, as described for P2(1) 2(1) 2(1) (large cell)
(Mangel, et al., Biochemistry 29, 8351-8357, 1990) The crystal was
soaked in a solution of 1.73 M MgSO4 . 7 H2O, 150 mM MES, 1 mM CaCl2,
2.0 % DMSO,saturated with inhibitor, pH 5.50 over a period of several
days with several replacements of the soaking solution., VAPOR DIFFUSION
|
分辨率 1.37 Å R-free 0.195 |
| 1C5V STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR 提交 1999-12-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
7–229（223 aa）
|
未记录 | CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.72；trypsin-benzamidine, P3(1) 2 1 crystals were grown
by vapor diffusion, as described for P2(1) 2(1) 2(1) (large cell)
(Mangel, et al., Biochemistry 29, 8351-8357, 1990) The crystal was soaked in
inhibitor-free solution of 1.84 M MgSO4 . 7 H2O, 150 mM Tris, 1 mM CaCl2,
pH 7.72 over a period of several weeks with several replacements of the
soaking solution.
|
分辨率 1.48 Å R-free 0.223 |
| 1C9T COMPLEX OF BDELLASTASIN WITH BOVINE TRYPSIN 提交 1999-08-03 | 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
21–243（223 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；50MM MES, 2.0M AMMONIUM SULFATE, 10MM MAGNESIM CHLORIDE, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；50MM MES, 2.2M AMMONIUM SULFATE, 10MM MAGNESIM CHLORIDE, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 3.30 Å R-free 0.287 |
| 1C9T COMPLEX OF BDELLASTASIN WITH BOVINE TRYPSIN 提交 1999-08-03 | Assembly 2 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
21–243（223 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；50MM MES, 2.0M AMMONIUM SULFATE, 10MM MAGNESIM CHLORIDE, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；50MM MES, 2.2M AMMONIUM SULFATE, 10MM MAGNESIM CHLORIDE, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 3.30 Å R-free 0.287 |
| 1C9T COMPLEX OF BDELLASTASIN WITH BOVINE TRYPSIN 提交 1999-08-03 | Assembly 3 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 C
21–243（223 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；50MM MES, 2.0M AMMONIUM SULFATE, 10MM MAGNESIM CHLORIDE, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；50MM MES, 2.2M AMMONIUM SULFATE, 10MM MAGNESIM CHLORIDE, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 3.30 Å R-free 0.287 |
| 1C9T COMPLEX OF BDELLASTASIN WITH BOVINE TRYPSIN 提交 1999-08-03 | Assembly 4 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 D
21–243（223 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；50MM MES, 2.0M AMMONIUM SULFATE, 10MM MAGNESIM CHLORIDE, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；50MM MES, 2.2M AMMONIUM SULFATE, 10MM MAGNESIM CHLORIDE, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 3.30 Å R-free 0.287 |
| 1C9T COMPLEX OF BDELLASTASIN WITH BOVINE TRYPSIN 提交 1999-08-03 | Assembly 5 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 E
21–243（223 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；50MM MES, 2.0M AMMONIUM SULFATE, 10MM MAGNESIM CHLORIDE, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；50MM MES, 2.2M AMMONIUM SULFATE, 10MM MAGNESIM CHLORIDE, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 3.30 Å R-free 0.287 |
| 1C9T COMPLEX OF BDELLASTASIN WITH BOVINE TRYPSIN 提交 1999-08-03 | Assembly 6 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 F
21–243（223 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；50MM MES, 2.0M AMMONIUM SULFATE, 10MM MAGNESIM CHLORIDE, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；50MM MES, 2.2M AMMONIUM SULFATE, 10MM MAGNESIM CHLORIDE, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 3.30 Å R-free 0.287 |
| 1CE5 BOVINE PANCREAS BETA-TRYPSIN IN COMPLEX WITH BENZAMIDINE 提交 1999-03-16 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6；pH 6.0
|
分辨率 1.90 Å R-free 0.186 |
| 1D6R CRYSTAL STRUCTURE OF CANCER CHEMOPREVENTIVE BOWMAN-BIRK INHIBITOR IN TERNARY COMPLEX WITH BOVINE TRYPSIN AT 2.3 A RESOLUTION. STRUCTURAL BASIS OF JANUS-FACED SERINE PROTEASE INHIBITOR SPECIFICITY 提交 1999-10-15 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
21–243（223 aa）
片段：CATIONIC PRECURSOR
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；PROTEIN SOLUTION: TRIS/CL, CACL2, MGSO4.7H2O, NAN3 PLUS PRECIPITANT
PRECIPITANTS: (NH4)2SO4, MDP, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291.0K
|
分辨率 2.30 Å R-free 0.226 |
| 1EB2 Trypsin inhibitor complex (BPO) 提交 2001-07-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 BPO 3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPERIDINYL)-2-OXO-1-PHENYLETHYL]BENZAMIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.15；2.1 M AMMONIUM SULPHATE, 0.05 M TRIS PH 8.15
|
分辨率 2.00 Å R-free 0.244 |
| 1EJM CRYSTAL STRUCTURE OF THE BPTI ALA16LEU MUTANT IN COMPLEX WITH BOVINE TRYPSIN 提交 2000-03-03 | 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
21–243（223 aa）
|
未记录 | SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；48% saturated ammonium sulphate, 0.1 M Hepes buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 37K
|
分辨率 1.85 Å R-free 0.233 |
| 1EJM CRYSTAL STRUCTURE OF THE BPTI ALA16LEU MUTANT IN COMPLEX WITH BOVINE TRYPSIN 提交 2000-03-03 | Assembly 2 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 C
21–243（223 aa）
|
未记录 | SO4 SULFATE ION × 5 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；48% saturated ammonium sulphate, 0.1 M Hepes buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 37K
|
分辨率 1.85 Å R-free 0.233 |
| 1EJM CRYSTAL STRUCTURE OF THE BPTI ALA16LEU MUTANT IN COMPLEX WITH BOVINE TRYPSIN 提交 2000-03-03 | Assembly 3 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 E
21–243（223 aa）
|
未记录 | SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；48% saturated ammonium sulphate, 0.1 M Hepes buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 37K
|
分辨率 1.85 Å R-free 0.233 |
| 1EZX CRYSTAL STRUCTURE OF A SERPIN:PROTEASE COMPLEX 提交 2000-05-12 | 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
1–243（243 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 8；277 K；PEG 3350, sodium citrate , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.60 Å R-free 0.239 |
| 1F0T BOVINE TRYPSIN COMPLEXED WITH RPR131247 提交 2000-05-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–243（243 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 PR1 4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-1-YLMETHYL]-BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；292 K；1.85-1.9M ammonium sulfate, 50 mM Mes-NaOH pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
|
分辨率 1.80 Å |
| 1F0U BOVINE TRYPSIN COMPLEXED WITH RPR128515 提交 2000-05-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–243（243 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 RPR 3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；292 K；1.85-1.9M ammonium sulfate, 50 mM Mes-NaOH pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
|
分辨率 1.90 Å |
| 1F2S CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN BOVINE BETA-TRYPSIN AND MCTI-A, A TRYPSIN INHIBITOR OF SQUASH FAMILY AT 1.8 A RESOLUTION 提交 2000-05-29 | 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 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.1；295 K；PEG6000, soduim phosphate buffer, pH 5.10, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
分辨率 1.79 Å R-free 0.226 |
| 1G36 TRYPSIN INHIBITOR COMPLEX 提交 2000-10-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 R11 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-1-YLMETHYL)-1H-BENZOIMIDAZOL-2-YLMETHYL]-AMINO}-BENZAMIDINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å R-free 0.216 |
| 1G3B BOVINE BETA-TRYPSIN BOUND TO META-AMIDINO SCHIFF BASE MAGNESIUM(II) CHELATE 提交 2000-10-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
11–238（228 aa）
片段：MATURE ENZYME
|
未记录 | MG MAGNESIUM ION × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 1 108 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.3；298 K；magnesium sulfate, Tris-Cl, calcium chloride, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.80 Å R-free 0.193 |
| 1G3C BOVINE BETA-TRYPSIN BOUND TO PARA-AMIDINO SCHIFF BASE IRON(III) CHELATE 提交 2000-10-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
11–238（228 aa）
片段：MATURE ENZYME
|
未记录 | FE FE (III) ION × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 1 109 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.3；298 K；magnesium sulfate, Tris-Cl, calcium chloride, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.80 Å R-free 0.188 |
| 1G3D BOVINE BETA-TRYPSIN BOUND TO META-AMIDINO SCHIFF BASE COPPER (II) CHELATE 提交 2000-10-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
11–238（228 aa）
片段：MATURE ENZYME
|
未记录 | CU COPPER (II) ION × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 1 108 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.3；298 K；magnesium sulfate, Tris-Cl, calcium chloride, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.80 Å R-free 0.189 |
| 1G3E BOVINE BETA-TRYPSIN BOUND TO PARA-AMIDINO SCHIFF-BASE COPPER (II) CHELATE 提交 2000-10-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
11–238（228 aa）
片段：MATURE ENZYME
|
未记录 | CU COPPER (II) ION × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 1 109 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.3；298 K；magnesium sulfate, Tris-Cl, calcium chloride, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.80 Å R-free 0.191 |
| 1G9I CRYSTAL STRUCTURE OF BETA-TRYSIN COMPLEX IN CYCLOHEXANE 提交 2000-11-24 | 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 E
21–243（223 aa）
片段：BETA-TRYPSIN
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.4；297 K；2M ammonium sulphate, 0.2M phosphate buffer, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 297K
|
分辨率 2.20 Å R-free 0.243 |
| 1GBT STRUCTURE OF AN ACYL-ENZYME INTERMEDIATE DURING CATALYSIS: (GUANIDINOBENZOYL) TRYPSIN 提交 1991-09-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 GBS 4-carbamimidamidobenzoic acid × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.00 Å |
| 1GHZ A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE 提交 2001-01-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 3 120 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at pH 7.0. vapor diffusion at 298 K, pH 8.10
|
分辨率 1.39 Å R-free 0.212 |
| 1GI0 A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE 提交 2001-01-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 3 BMZ 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at pH 3.50. vapor diffusion at 298 K', pH 8.10
|
分辨率 1.42 Å R-free 0.219 |
| 1GI1 A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE 提交 2001-01-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 BMZ 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (6.4). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.42 Å R-free 0.186 |
| 1GI2 A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE 提交 2001-01-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 122 2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-5-CARBOXAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (8.1). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.38 Å R-free 0.205 |
| 1GI3 A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE 提交 2001-01-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 BMZ 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at pH 9.52. vapor diffusion at 298 K, pH 8.10
|
分辨率 1.44 Å R-free 0.235 |
| 1GI4 A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE 提交 2001-01-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 ZN ZINC ION × 1 SO4 SULFATE ION × 1 122 2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-5-CARBOXAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH. vapor diffusion at 298 K, pH 8.10
|
分辨率 1.37 Å R-free 0.214 |
| 1GI5 A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE 提交 2001-01-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 123 2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (10.3). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.60 Å R-free 0.216 |
| 1GI6 A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE 提交 2001-01-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 124 2-(2-HYDROXY-PHENYL)-1H-INDOLE-5-CARBOXAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (8.66). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.49 Å R-free 0.209 |
| 1GJ6 ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS 提交 2001-04-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 132 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at pH 9.05, vapor diffusion at 298 K, pH 8.10
|
分辨率 1.50 Å R-free 0.206 |
| 1HJ9 Atomic resolution structures of trypsin provide insight into structural radiation damage 提交 2001-01-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
片段：RESIDUES 21-243
|
未记录 | ANL ANILINE × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8；pH 8.00
|
分辨率 0.95 Å R-free 0.140 |
| 1J8A CRYSTAL STRUCTURE OF BENZAMIDINE INHIBITED BOVINE PANCREATIC TRYPSIN AT 105K TO 1.21A RESOLUTION FROM LABORATORY SOURCE WITH HIGH NUMBER OF WATERS MODELLED 提交 2001-05-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 3 BEN BENZAMIDINE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293.15 K；PEG 6000, ammonium sulfate, tris-HCl, benzamidine, calcium chloride, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
|
分辨率 1.21 Å R-free 0.178 |
| 1JIR Crystal Structure of Trypsin Complex with Amylamine in Cyclohexane 提交 2001-07-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 AML AMYLAMINE × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；ammonium sulfate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
分辨率 2.00 Å R-free 0.210 |
| 1JRS HEMIACETAL COMPLEX BETWEEN LEUPEPTIN AND TRYPSIN 提交 1996-02-07 | 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 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；ORTHORHOMBIC SPACE GROUP; CRYSTALLIZATION CONDITIONS: 24-26% PEG8000, 0.02M INHIBITOR, 0.2M (NH4)2 SO4, 50MM TRIS-HCL, ROOM TEMPERATURE, HANGING DROP., vapor diffusion - hanging drop
|
分辨率 1.80 Å R-free 0.207 |
| 1JRT HEMIACETAL COMPLEX BETWEEN LEUPEPTIN AND TRYPSIN 提交 1996-02-07 | 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 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；TRIGONAL SPACE GROUP; 24-26% PEG8000, 0.02M INHIBITOR, 0.2M (NH4)2 SO4, 50MM TRIS-HCL, ROOM TEMPERATURE, SITTING DROP., vapor diffusion - sitting drop
|
分辨率 1.70 Å R-free 0.218 |
| 1K1I BOVINE TRYPSIN-INHIBITOR COMPLEX 提交 2001-09-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 FD1 N-ALPHA-(2-NAPHTHYLSULFONYL)-N-(3-AMIDINO-L-PHENYLALANINYL)-D-PIPECOLINIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7；291 K；ammonium sulfate, peg8000, imidazole, pH 7, VAPOR DIFFUSION, temperature 291K
|
分辨率 2.20 Å |
| 1K1J BOVINE TRYPSIN-INHIBITOR COMPLEX 提交 2001-09-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 FD2 N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)ISOPIPECOLINIC ACID METHYL ESTER × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.20 Å |
| 1K1L BOVINE TRYPSIN-INHIBITOR COMPLEX 提交 2001-09-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 FD3 N-ALPHA-(2-NAPHTHYLSULFONYL)-3-AMIDINO-L-PHENYLALANINE PIPERAZIDE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.50 Å |
| 1K1M BOVINE TRYPSIN-INHIBITOR COMPLEX 提交 2001-09-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 FD4 N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)-4-ACETYL-PIPERAZINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.20 Å |
| 1K1N BOVINE TRYPSIN-INHIBITOR COMPLEX 提交 2001-09-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CCR [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.00 Å |
| 1K1O BOVINE TRYPSIN-INHIBITOR COMPLEX 提交 2001-09-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 IGN {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.00 Å |
| 1K1P BOVINE TRYPSIN-INHIBITOR COMPLEX 提交 2001-09-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 MEL [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å |
| 1LQE CRYSTAL STRUCTURE OF TRYPSIN IN COMPLEX WITH 79. 提交 2002-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–243（243 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 IMA [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-METHYL)-PHENYL]-TRIMETHYL-AMMONIUM × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；292 K；Ammonium sulfate, CaCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
|
分辨率 2.20 Å |
| 1MAX BETA-TRYPSIN PHOSPHONATE INHIBITED 提交 1996-02-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 ZAP [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å |
| 1MAY BETA-TRYPSIN PHOSPHONATE INHIBITED 提交 1996-02-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 ZAP [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å |
| 1MTS FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN 提交 1997-05-16 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 BX3 (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6；1.8M AMMONIUM SULFATE, PH 6.0
|
分辨率 1.90 Å |
| 1MTU FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN 提交 1997-05-16 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 BX3 (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6；1.8M AMMONIUM SULFATE, PH 6.0
|
分辨率 1.90 Å |
| 1MTV FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN 提交 1997-05-16 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 BX3 (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7；0.1M AMMONIUM SULFATE, PH 7.0, 20% PEG 8000
|
分辨率 1.90 Å |
| 1MTW FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN 提交 1997-05-16 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 DX9 (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8；0.3M AMMONIUM SULFATE, PH 8.0, 30% PEG 8000
|
分辨率 1.90 Å |
| 1N6X RIP-phasing on Bovine Trypsin 提交 2002-11-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | SO4 SULFATE ION × 2 CA CALCIUM ION × 1 ABN BENZYLAMINE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；25% polyethylene glycol (PEG) 8000, 0.2 M ammonium sulphate, 0.1 M Tris buffer, pH 8, and 100 mM benzylamine, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
分辨率 1.40 Å R-free 0.165 |
| 1N6Y RIP-phasing on Bovine Trypsin 提交 2002-11-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | SO4 SULFATE ION × 2 CA CALCIUM ION × 1 ABN BENZYLAMINE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；25% polyethylene glycol (PEG) 8000, 0.2 M ammonium sulphate, 0.1 M Tris buffer, pH 8, and 100 mM benzylamine, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
分辨率 1.40 Å R-free 0.170 |
| 1NC6 Potent, small molecule inhibitors of human mast cell tryptase. Anti-asthmatic action of a dipeptide-based transition state analogue containing benzothiazole ketone 提交 2002-12-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 ABB (2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-4-HYDROXY-2-PYRROLIDINECARBOXAMIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.75；298 K；magnesium chloride, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.90 Å R-free 0.206 |
| 1NTP USE OF THE NEUTRON DIFFRACTION H/D EXCHANGE TECHNIQUE TO DETERMINE THE CONFORMATIONAL DYNAMICS OF TRYPSIN 提交 1987-09-16 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | ISP PHOSPHORYLISOPROPANE × 1 | NEUTRON DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å |
| 1O2H Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CR3 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；sodium citrate soak at target pH (10.92). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.77 Å R-free 0.227 |
| 1O2I Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 655 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (6.54). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.50 Å R-free 0.211 |
| 1O2J Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 656 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (6.28). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.65 Å R-free 0.201 |
| 1O2K Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 656 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (7.09). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.63 Å R-free 0.201 |
| 1O2L Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 762 3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；sodium citrate soak at target pH (10.38). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.68 Å R-free 0.219 |
| 1O2M Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 762 3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (4.88). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.69 Å R-free 0.226 |
| 1O2N Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 762 3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (5.65). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.50 Å R-free 0.224 |
| 1O2O Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 950 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；sodium citrate soak at target pH (9.13). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.63 Å R-free 0.212 |
| 1O2P Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 972 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (7.98). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.47 Å R-free 0.205 |
| 1O2Q Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 991 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (8.32). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.50 Å R-free 0.188 |
| 1O2R Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 CR9 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (8.04). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.45 Å R-free 0.219 |
| 1O2S Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 CR4 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；sodium citrate soak at target pH (10.15). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.65 Å R-free 0.201 |
| 1O2T Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 783 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (8.99). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.62 Å R-free 0.202 |
| 1O2U Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 847 2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；sodium citrate soak at target pH (10.34). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.41 Å R-free 0.207 |
| 1O2V Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 847 2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (6.36). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.50 Å R-free 0.231 |
| 1O2W Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 847 2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (7.02). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.38 Å R-free 0.228 |
| 1O2X Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 847 2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (7.57). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.46 Å R-free 0.231 |
| 1O2Y Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 847 2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；sodium citrate soak at target pH (9.08). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.45 Å R-free 0.224 |
| 1O2Z Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 312 2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-METHOXY-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；sodium citrate soak at target pH (8.99). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.65 Å R-free 0.234 |
| 1O30 Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 693 2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-FLUORO-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (7.12). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.55 Å R-free 0.199 |
| 1O31 Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 801 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}PYRIDIN-3-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；sodium citrate soak at target pH (10.05). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.66 Å R-free 0.195 |
| 1O32 Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 801 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}PYRIDIN-3-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；sodium citrate soak at target pH (10.32). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.78 Å R-free 0.209 |
| 1O33 Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 801 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}PYRIDIN-3-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (7.24). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.46 Å R-free 0.194 |
| 1O34 Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 801 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}PYRIDIN-3-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (8.11). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.50 Å R-free 0.211 |
| 1O35 Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 802 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-FLUOROBENZENOLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (6.36). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.41 Å R-free 0.198 |
| 1O36 Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 607 2-(2'-AMINO-5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (7.03). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.70 Å R-free 0.216 |
| 1O37 Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 653 5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；sodium citrate soak at target pH (10.30). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.45 Å R-free 0.241 |
| 1O38 Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 653 5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (7.50). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.38 Å R-free 0.197 |
| 1O39 Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 780 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；sodium citrate soak at target pH (10.35). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.59 Å R-free 0.195 |
| 1O3A Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 780 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (4.69). vapor diffusion at 298 K, pH 8.10
|
分辨率 2.00 Å R-free 0.229 |
| 1O3B Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 780 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (5.65). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.75 Å R-free 0.204 |
| 1O3C Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 780 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (6.44). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.64 Å R-free 0.198 |
| 1O3D Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 780 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (8.20). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.33 Å R-free 0.211 |
| 1O3E Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 696 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (5.80). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.64 Å R-free 0.190 |
| 1O3F Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 696 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (6.08). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.55 Å R-free 0.213 |
| 1O3G Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 696 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (7.05). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.55 Å R-free 0.205 |
| 1O3H Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 907 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium citrate soak at target pH (9.12). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.53 Å R-free 0.208 |
| 1O3I Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 907 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；sodium citrate soak at target pH (9.41). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.51 Å R-free 0.202 |
| 1O3J Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 334 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；sodium citrate soak at target pH (10.13). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.40 Å R-free 0.198 |
| 1O3K Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 334 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (8.60). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.43 Å R-free 0.193 |
| 1O3L Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 678 (3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (7.64). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.40 Å R-free 0.220 |
| 1O3M Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 785 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (8.60). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.55 Å R-free 0.200 |
| 1O3N Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 785 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；magnesium sulfate soak at target pH (9.07). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.55 Å R-free 0.195 |
| 1O3O Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 785 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.1；298 K；sodium citrate soak at target pH (9.25). vapor diffusion at 298 K, pH 8.10
|
分辨率 1.55 Å R-free 0.209 |
| 1OPH NON-COVALENT COMPLEX BETWEEN ALPHA-1-PI-PITTSBURGH AND S195A TRYPSIN 提交 2003-03-05 | 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
1–243（243 aa）
|
突变：S195A | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.3；291 K；0.2 M tri-K-citrate, 17.5% PEG 3350, 2% GLYCEROL, pH 8.30, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 2.30 Å R-free 0.229 |
| 1OPH NON-COVALENT COMPLEX BETWEEN ALPHA-1-PI-PITTSBURGH AND S195A TRYPSIN 提交 2003-03-05 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 B
1–243（243 aa）
|
突变：S195A | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.3；291 K；0.2 M tri-K-citrate, 17.5% PEG 3350, 2% GLYCEROL, pH 8.30, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 2.30 Å R-free 0.229 |
| 1OX1 crystal structure of the bovine trypsin complex with a synthetic 11 peptide inhibitor 提交 2003-03-31 | 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
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；296 K；sodium sulfate, sodium phosphate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 2.00 Å R-free 0.185 |
| 1OYQ TRYPSIN INHIBITOR COMPLEX 提交 2003-04-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 T87 [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-1-METHYL-1H-BENZOIMIDAZOL-5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å R-free 0.221 |
| 1P2I Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin 提交 2003-04-15 | 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
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；50% ammonium sulfate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K
|
分辨率 1.65 Å R-free 0.210 |
| 1P2J Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin 提交 2003-04-15 | 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
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；50% ammonium sulfate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K
|
分辨率 1.35 Å R-free 0.194 |
| 1P2J Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin 提交 2003-04-15 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；50% ammonium sulfate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K
|
分辨率 1.35 Å R-free 0.194 |
| 1P2J Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin 提交 2003-04-15 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；50% ammonium sulfate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K
|
分辨率 1.35 Å R-free 0.194 |
| 1P2K Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin 提交 2003-04-15 | 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
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；50% ammonium sulfate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K
|
分辨率 1.60 Å R-free 0.212 |
| 1PPC GEOMETRY OF BINDING OF THE BENZAMIDINE-AND ARGININE-BASED INHIBITORS N-ALPHA-(2-NAPHTHYL-SULPHONYL-GLYCYL)-DL-P-AMIDINOPHENYLALANYL-PIPERIDINE (NAPAP) AND (2R,4R)-4-METHYL-1-[N-ALPHA-(3-METHYL-1,2,3,4-TETRAHYDRO-8-QUINOLINESULPHONYL)-L-ARGINYL]-2-PIPERIDINE CARBOXYLIC ACID (MQPA) TO HUMAN ALPHA-THROMBIN: X-RAY CRYSTALLOGRAPHIC DETERMINATION OF THE NAPAP-TRYPSIN COMPLEX AND MODELING OF NAPAP-THROMBIN AND MQPA-THROMBIN 提交 1991-10-24 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | MID 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å |
| 1PPE THE REFINED 2.0 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN BOVINE BETA-TRYPSIN AND CMTI-I, A TRYPSIN INHIBITOR FROM SQUASH SEEDS (CUCURBITA MAXIMA): TOPOLOGICAL SIMILARITY OF THE SQUASH SEED INHIBITORS WITH THE CARBOXYPEPTIDASE A INHIBITOR FROM POTATOES 提交 1991-10-24 | 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 E
21–243（223 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.00 Å |
| 1PPH GEOMETRY OF BINDING OF THE NALPHA-TOSYLATED PIPERIDIDES OF M-AMIDINO-, P-AMIDINO-AND P-GUANIDINO PHENYLALANINE TO THROMBIN AND TRYPSIN: X-RAY CRYSTAL STRUCTURES OF THEIR TRYPSIN COMPLEXES AND MODELING OF THEIR THROMBIN COMPLEXES 提交 1991-10-24 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 0ZG 3-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å |
| 1QA0 BOVINE TRYPSIN 2-AMINOBENZIMIDAZOLE COMPLEX 提交 1999-04-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–223（223 aa）
片段：BOVINE TRYPSIN
|
突变：NONE | CA CALCIUM ION × 1 AX7 1H-benzimidazol-2-amine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；MICROCRYSTALS WERE INITIALLY GROWN USING THE
HANGING DROP METHOD IN LINBRO CULTURE PLATES. CRYSTALLIZATION RESERVOIRS
CONTAIN 1.8 - 2.0 M AMMONIUM SULFATE, 50 MM TRIS HCL, 10 MM CACL2, PH 7.4. SIX
UL OF 15 MG/ML BOVINE TRYPSIN IN 20 MM 2-AMINOBENZIMIDAZOLE WAS ADDED TO 6 UL
OF RESERVOIR. MACROSEEDING WAS USED TO GROW LARGE CRYSTALS (REF 2). SINGLE
CRYSTALS WERE WASHED IN 0.8 M AMMONIUM SULFATE, 50 MM TRIS HCL, 10 MM CACL2,
PH 7.4. THE WASHED CRYSTALS WERE PLACED IN A 18 HOUR OLD HANGING., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.80 Å |
| 1QB1 Bovine Trypsin with 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]piperidine-3-carboxylic Acid (ZK-806974) 提交 1999-04-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–223（223 aa）
片段：BOVINE TRYPSIN
|
未记录 | CA CALCIUM ION × 1 974 1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY] PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.4；297 K；MICROCRYSTALS WERE INITIALLY GROWN USING THE HANGING DROP METHOD IN LINBRO
CULTURE PLATES. REFERENCES 7 (BODE, TURK & STURZEBACHER) AND 8 (BARTUNIK,
SUMMERS & BARTSH) HAVE DESCRIBED THE CRYSTALLIZATION OF THE ORTHORHOMBIC FORM
OF BOVINE TRYPSIN. CRYSTALS WERE SEEDING INTO DROPS CONTAINING 40 MG/ML
BOVINE
TRYPSIN, 0.0125 M BENZAMIDINE, 0.7 TO 0.9 M AS, 0.05 M MES PH 6.0, 0.0025 M
CACL2 AFTER EQUILIBRATION AGAINST THE CRYSTALLIZATION RESERVOIR FOR 1 DAY. THE
CRYSTALLIZATION RESERVOIRS CONTAINED 1.4 TO 1.8 M AS, 0.1 M MES PH 6.0, 0.005
M CACL2., pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 297K
|
分辨率 1.80 Å R-free 0.237 |
| 1QB6 BOVINE TRYPSIN 3,3'-[3,5-DIFLUORO-4-METHYL-2, 6-PYRIDINEDIYLBIS(OXY)]BIS(BENZENECARBOXIMIDAMIDE) (ZK-805623) COMPLEX 提交 1999-04-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–223（223 aa）
片段：BOVINE TRYPSIN
|
未记录 | CA CALCIUM ION × 1 K POTASSIUM ION × 1 623 3,3'-[3,5-DIFLUORO-4-METHYL-2,6-PYRIDYLENEBIS(OXY)]-BIS(BENZENECARBOXIMIDAMIDE) × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.4；297 K；MICROCRYSTALS WERE INITIALLY GROWN USING THE HANGING DROP METHOD IN LINBRO
CULTURE PLATES. CRYSTALLIZATION RESERVOIRS CONTAIN 1.8 - 2.0 M AMMONIUM
SULFATE, 50 MM TRIS HCL, 10 MM CACL2, PH 7.4. SIX UL OF 15 MG/ML BOVINE
TRYPSIN IN 20 MM 2-AMINOBENZIMIDAZOLE WAS ADDED TO 6 UL OF RESERVOIR.
MACROSEEDING WAS USED TO GROW LARGE CRYSTALS (REF. 5). SINGLE CRYSTALS WERE
WASHED IN 0.8 M AMMONIUM SULFATE, 50 MM TRIS HCL, 10 MM CACL2, PH 7.4. THE
WASHED CRYSTALS WERE PLACED IN A 18 HOUR OLD HANGING, VAPOR DIFFUSION, HANGING DROP, temperature 297K
|
分辨率 1.80 Å R-free 0.224 |
| 1QB9 BOVINE TRYPSIN 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL] METHYL]NAPHTHALENE-2-CARBOXIMIDAMIDE (ZK-806450) COMPLEX 提交 1999-04-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–223（223 aa）
|
未记录 | CA CALCIUM ION × 2 K POTASSIUM ION × 1 806 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.4；297 K；MICROCRYSTALS WERE INITIALLY GROWN USING THE HANGING DROP METHOD IN LINBRO
CULTURE PLATES. CRYSTALLIZATION RESERVOIRS CONTAIN 1.8 - 2.0 M AMMONIUM
SULFATE, 50 MM TRIS HCL, 10 MM CACL2, PH 7.4. SIX UL OF 15 MG/ML BOVINE
TRYPSIN IN 20 MM 2-AMINOBENZIMIDAZOLE WAS ADDED TO 6 UL OF RESERVOIR.
MACROSEEDING WAS USED TO GROW LARGE CRYSTALS (REF. 5). SINGLE CRYSTALS WERE
WASHED IN 0.8 M AMMONIUM SULFATE, 50 MM TRIS HCL, 10 MM CACL2, PH 7.4. THE
WASHED CRYSTALS WERE PLACED IN A 18 HOUR OLD HANGING, VAPOR DIFFUSION, HANGING DROP, temperature 297K
|
分辨率 1.80 Å R-free 0.278 |
| 1QBN Bovine Trypsin 2-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyridine-4-carboxylic Acid (ZK-806688) Complex 提交 1999-04-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–223（223 aa）
片段：BOVINE TRYPSIN
|
未记录 | CA CALCIUM ION × 2 688 2-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.4；297 K；MICROCRYSTALS GROWN USING THE HANGING DROP METHOD IN LINBRO
CULTURE PLATES. CRYSTALLIZATION RESERVOIRS CONTAIN 1.8 - 2.0 M AMMONIUM
SULFATE, 50 MM TRIS HCL, 10 MM CACL2, PH 7.4. SIX UL OF 15 MG/ML BOVINE
TRYPSIN IN 20 MM 2-AMINOBENZIMIDAZOLE WAS ADDED TO 6 UL OF RESERVOIR.
MACROSEEDING WAS USED TO GROW LARGE CRYSTALS (REF 5). SINGLE CRYSTALS WERE WASHED
IN 0.8 M AMMONIUM SULFATE, 50 MM TRIS HCL, 10 MM CACL2, PH 7.4. THE WASHED
CRYSTALS WERE PLACED IN A 18 HOUR OLD HANGING, VAPOR DIFFUSION, HANGING DROP, temperature 297K
|
分辨率 1.80 Å R-free 0.217 |
| 1QBO BOVINE TRYPSIN 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID ZK-806711 INHIBITOR COMPLEX 提交 1999-04-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–223（223 aa）
片段：BOVINE TRYPSIN
|
未记录 | CA CALCIUM ION × 2 711 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.4；297 K；MICROCRYSTALS WERE INITIALLY GROWN USING THE HANGING DROP METHOD IN LINBRO
CULTURE PLATES. CRYSTALLIZATION RESERVOIRS CONTAIN 1.8 - 2.0 M AMMONIUM
SULFATE, 50 MM TRIS HCL, 10 MM CACL2, PH 7.4. SIX UL OF 15 MG/ML BOVINE
TRYPSIN IN 20 MM 2-AMINOBENZIMIDAZOLE WAS ADDED TO 6 UL OF RESERVOIR.
MACROSEEDING WAS USED TO GROW LARGE CRYSTALS (REF 5). SINGLE CRYSTALS WERE WASHED
IN 0.8 M AMMONIUM SULFATE, 50 MM TRIS HCL, 10 MM CACL2, PH 7.4. THE WASHED
CRYSTALS WERE PLACED IN A 18 HOUR OLD HANGING, VAPOR DIFFUSION, HANGING DROP, temperature 297K
|
分辨率 1.80 Å R-free 0.224 |
| 1QCP CRYSTAL STRUCTURE OF THE RWJ-51084 BOVINE PANCREATIC BETA-TRYPSIN AT 1.8 A 提交 1999-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 RWJ CYCLOPENTANECARBOXYLIC ACID [1-(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-BUTYL]-AMIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.5；VAPOR DIFFUSION, PH 8.5, 298K, AMMONIUM SULFATE, TRIS/HCL BUFFER
|
分辨率 1.80 Å R-free 0.237 |
| 1QL7 FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN 提交 1999-08-24 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 ZEN [4-(6-CHLORO-NAPHTHALENE-2-SULFONYL)-PIPERAZIN-1-YL]- (3,4,5,6-TETRAHYDRO-2H-[1,4']BIPYRIDINYL-4-YL)- METHANONE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8；0.1M IMIDAZOLE PH8.0, 0.1M AMMONIUM SULPHATE, 20% PEG8K, pH 8.00
|
分辨率 2.10 Å |
| 1QL8 FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN 提交 1999-08-24 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 ZEN [4-(6-CHLORO-NAPHTHALENE-2-SULFONYL)-PIPERAZIN-1-YL]- (3,4,5,6-TETRAHYDRO-2H-[1,4']BIPYRIDINYL-4-YL)- METHANONE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7；0.1M IMIDAZOLE PH7.0, 0.3M AMMONIUM SULPHATE, 30% PEG8K, pH 7.00
|
分辨率 3.00 Å |
| 1RXP STRUCTURE OF TRYPSIN (ORTHORHOMBIC) WITH 1-(4-TERT-BUTYLCARBAMOYL- PIPERAZINE-1-CARBONYL)-3-(3-GUANIDINO-PROPYL)-4-OXO-AZETIDINE-2-CARBOXYLIC ACID 提交 2003-12-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 169 1-(4-TERT-BUTYLCARBAMOYL-PIPERAZINE-1-CARBONYL)-3-(3-GUANIDINO-PROPYL)-4-OXO-AZETIDINE-2-CARBOXYLIC ACID × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.70 Å R-free 0.222 |
| 1S0Q Native Bovine Pancreatic Trypsin 提交 2004-01-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；PEG 6000, Ammonium Sulphate, Calcium Chloride, TRIS-HCl, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 100K
|
分辨率 1.02 Å R-free 0.142 |
| 1S0R Bovine Pancreatic Trypsin inhibited with Benzamidine at Atomic resolution 提交 2004-01-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
片段：Trypsin
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；PEG 6000, Benzamidine, Amonum Sulphate, Calcium Chloride, TRIS-HCl, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature
100K
|
分辨率 1.02 Å R-free 0.137 |
| 1SBW CRYSTAL STRUCTURE OF MUNG BEAN INHIBITOR LYSINE ACTIVE FRAGMENT COMPLEX WITH BOVINE BETA-TRYPSIN AT 1.8A RESOLUTION 提交 1999-04-29 | 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
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6；pH 6.0
|
分辨率 1.80 Å R-free 0.196 |
| 1SFI High resolution structure of a potent, cyclic protease inhibitor from sunflower seeds 提交 1998-12-16 | 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
21–243（223 aa）
|
未记录 | SO4 SULFATE ION × 3 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8；pH 8.0
|
分辨率 1.65 Å R-free 0.204 |
| 1SMF Studies on an artificial trypsin inhibitor peptide derived from the mung bean inhibitor 提交 1992-10-24 | 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 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.10 Å |
| 1TAB STRUCTURE OF THE TRYPSIN-BINDING DOMAIN OF BOWMAN-BIRK TYPE PROTEASE INHIBITOR AND ITS INTERACTION WITH TRYPSIN 提交 1990-10-15 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.30 Å |
| 1TAW BOVINE TRYPSIN COMPLEXED TO APPI 提交 1996-12-19 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 1.80 Å |
| 1TGB CRYSTAL STRUCTURE OF BOVINE TRYPSINOGEN AT 1.8 ANGSTROMS RESOLUTION. II. CRYSTALLOGRAPHIC REFINEMENT, REFINED CRYSTAL STRUCTURE AND COMPARISON WITH BOVINE TRYPSIN 提交 1979-03-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å |
| 1TGC ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY 提交 1981-10-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å |
| 1TGN STRUCTURE OF BOVINE TRYPSINOGEN AT 1.9 ANGSTROMS RESOLUTION 提交 1979-09-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.65 Å |
| 1TGS THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN PANCREATIC SECRETORY INHIBITOR (KAZAL TYPE) AND TRYPSINOGEN AT 1.8 ANGSTROMS RESOLUTION. STRUCTURE SOLUTION, CRYSTALLOGRAPHIC REFINEMENT AND PRELIMINARY STRUCTURAL INTERPRETATION 提交 1982-09-27 | 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 Z
15–243（229 aa）
|
未记录 | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å |
| 1TGT ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY 提交 1981-10-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 1 MOH METHANOL × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.70 Å |
| 1TIO HIGH PACKING DENSITY FORM OF BOVINE BETA-TRYPSIN IN CYCLOHEXANE 提交 1998-09-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 6 BEN BENZAMIDINE × 2 CHX CYCLOHEXANE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.2；HANGING DROP METHOD: THE PROTEIN WAS DISSOLVED IN 10 MM HAC-NAAC BUFFER (PH 4.1) PRECIPITANT AND RESERVOIR SOLUTION WERE 0.5 M NA2SO4 AND 0.1 M SODIUM CACODYLATE-HCL BUFFER CONTAINING 15% (W/V) MGSO4 AND 1.5% (V/V) MPD AT PH 6.2., vapor diffusion - hanging drop
|
分辨率 1.93 Å R-free 0.232 |
| 1TLD CRYSTAL STRUCTURE OF BOVINE BETA-TRYPSIN AT 1.5 ANGSTROMS RESOLUTION IN A CRYSTAL FORM WITH LOW MOLECULAR PACKING DENSITY. ACTIVE SITE GEOMETRY, ION PAIRS AND SOLVENT STRUCTURE 提交 1989-07-24 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
THE SOLVENT USED WAS 2.5 M AMMONIUM SULPHATE, 0.1 M
PHOSPHATE, 1 MM CACL AT PH 5.3.
|
分辨率 1.50 Å |
| 1TNG PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS 提交 1994-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 1 AMC AMINOMETHYLCYCLOHEXANE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å |
| 1TNH PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS 提交 1994-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 1 FBA 4-FLUOROBENZYLAMINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å |
| 1TNI PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS 提交 1994-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 1 PBN 4-PHENYLBUTYLAMINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å |
| 1TNJ PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS 提交 1994-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 1 PEA 2-PHENYLETHYLAMINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å |
| 1TNK PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS 提交 1994-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 1 PRA 3-PHENYLPROPYLAMINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å |
| 1TNL PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS 提交 1994-07-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 1 TPA TRANS-2-PHENYLCYCLOPROPYLAMINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å |
| 1TPA THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS 提交 1982-09-27 | 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 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å |
| 1TPA THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS 提交 1982-09-27 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 4 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å |
| 1TPO THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS 提交 1982-09-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.70 Å |
| 1TPP THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS 提交 1982-09-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 APA (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.40 Å |
| 1TPS ATOMIC STRUCTURE OF THE TRYPSIN-A90720A COMPLEX: A UNIFIED APPROACH TO STRUCTURE AND FUNCTION 提交 1994-09-04 | 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
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å R-free 0.197 |
| 1TX7 Bovine Trypsin complexed with p-amidinophenylmethylphosphinic acid (AMPA) 提交 2004-07-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
片段：beta Trypsin
|
未记录 | CA CALCIUM ION × 1 4CM (4-CARBAMIMIDOYLPHENYL)-METHYL-PHOSPHINIC ACID × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.75 Å R-free 0.229 |
| 1TX8 Bovine Trypsin complexed with AMSO 提交 2004-07-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 AM4 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.70 Å R-free 0.193 |
| 1TYN ATOMIC STRUCTURE OF THE TRYPSIN-CYCLOTHEONAMIDE A COMPLEX: LESSONS FOR THE DESIGN OF SERINE PROTEASE INHIBITORS 提交 1994-09-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CTA CYCLOTHEONAMIDE A × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.00 Å R-free 0.222 |
| 1UTN Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements 提交 2003-12-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–243（243 aa）
|
未记录 | ABN BENZYLAMINE × 2 SO4 SULFATE ION × 5 GOL GLYCEROL × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8；pH 8.00
|
分辨率 1.15 Å R-free 0.155 |
| 1UTO Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements 提交 2003-12-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–243（243 aa）
|
未记录 | PEA 2-PHENYLETHYLAMINE × 1 GOL GLYCEROL × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8；pH 8.00
|
分辨率 1.15 Å R-free 0.187 |
| 1UTP Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements 提交 2003-12-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–243（243 aa）
|
未记录 | PBN 4-PHENYLBUTYLAMINE × 1 GOL GLYCEROL × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8；pH 8.00
|
分辨率 1.30 Å R-free 0.183 |
| 1UTQ Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements 提交 2003-12-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–243（243 aa）
|
未记录 | GOL GLYCEROL × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8；pH 8.00
|
分辨率 1.15 Å R-free 0.188 |
| 1V2J BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSRI)bT.C1 提交 2003-10-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：Y172S, P173S, G174R, Q175I | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；ammonium sulphate, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
分辨率 1.90 Å R-free 0.241 |
| 1V2K Factor XA specific Inhibitor in complex with bovine trypsin variant X(triple.Glu)bT.D2 提交 2003-10-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：N97E, L99Y, Y172S, P173S, G174F, Q175I, S190A, S217E | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 ZEN [4-(6-CHLORO-NAPHTHALENE-2-SULFONYL)-PIPERAZIN-1-YL]- (3,4,5,6-TETRAHYDRO-2H-[1,4']BIPYRIDINYL-4-YL)- METHANONE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；pH 6, VAPOR DIFFUSION, HANGING DROP
|
分辨率 2.00 Å R-free 0.223 |
| 1V2L Benzamidine in complex with bovine trypsin variant X(triple.Glu)bT.D1 提交 2003-10-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：N97E, L99Y, Y172S, P173S, G174F, Q175I, S190A, S217E | SO4 SULFATE ION × 2 CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；313 K；ammonium sulphate, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 313K
|
分辨率 1.60 Å R-free 0.199 |
| 1V2M Benzamidine in complex with bovine trypsin variant X(triple.Glu)bT.A1 提交 2003-10-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：N97E, L99T, Y172S, P173S, G174F, Q175I, S190A, S217E | SO4 SULFATE ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；ammonium sulphate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
分辨率 1.65 Å R-free 0.237 |
| 1V2N Potent factor XA inhibitor in complex with bovine trypsin variant X(99/175/190)bT 提交 2003-10-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：N97E, L99Y, Y172S, P173S, G174F, Q175I, S190A | CA CALCIUM ION × 1 BBA 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；ammonium sulphate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.80 Å R-free 0.196 |
| 1V2O Trypsin inhibitor in complex with bovine trypsin variant X(SSYI)bT.B4 提交 2003-10-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：Y172S, P173S, G174Y, Q175I | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 ANH METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium sulphate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.62 Å R-free 0.196 |
| 1V2P Trypsin inhibitor in complex with bovine trypsin variant X(SSYI)bT.A4 提交 2003-10-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：Y172S, P173S, G174Y, Q175I | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 ANH METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium sulphate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.92 Å R-free 0.255 |
| 1V2Q Trypsin inhibitor in complex with bovine trypsin variant X(SSWI)bT.B4 提交 2003-10-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：Y172S, P173S, G174W, Q175I | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 ANH METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；294 K；ammonium sulphate, PEG8000, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
分辨率 2.30 Å R-free 0.233 |
| 1V2R Trypsin inhibitor in complex with bovine trypsin variant X(SSRI)bT.B4 提交 2003-10-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：Y172S, P173S, G174R, Q175I | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 ANH METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；297 K；ammonium sulphate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 297K
|
分辨率 1.70 Å R-free 0.230 |
| 1V2S Benzamidine in complex with bovine trypsin variant X(SSFI.Glu)bT.D1 提交 2003-10-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：Y172S, P173S, G174F, Q175I, S217E | SO4 SULFATE ION × 2 CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；294 K；ammonium sulphate, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
分辨率 1.72 Å R-free 0.217 |
| 1V2T Trypsin inhibitor in complex with bovine trypsin variant X(SSFI.Glu)bT.B4 提交 2003-10-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：Y172S, P173S, G174F, Q175I, S217E | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 ANH METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；294 K；ammonium sulphate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
分辨率 1.90 Å R-free 0.237 |
| 1V2U Benzamidine in complex with bovine trypsin varinat X(SSAI)bT.D1 提交 2003-10-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：Y172S, P173S, G174A, Q175I | SO4 SULFATE ION × 2 CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；ammonium sulphate, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.80 Å R-free 0.225 |
| 1V2V Benzamidine in complex with bovine trypsin variant X(SSAI)bT.C1 提交 2003-10-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：Y172S, P173S, G174A, Q175I | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；294 K；ammonium sulphate, MES, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 294K
|
分辨率 1.80 Å R-free 0.249 |
| 1V2W Trypsin inhibitor in complex with bovine trypsin variant X(SSAI)bT.B4 提交 2003-10-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：Y172S, P173S, G174A, Q175I | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 ANH METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；294 K；ammonium sulphate, PEG 8000, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
分辨率 1.75 Å R-free 0.223 |
| 1XUF TRYPSIN-BABIM-ZN+2, PH 8.2 提交 1997-10-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 BAZ BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.2；SYNTHETIC MOTHER LIQUOR = 75% SATURATED MAGNESIUM SULFATE, 25 % 1.0 M TRIS ADJUSTED TO PH 8.2; SATURATED IN BABIM, 5.0 MM ZN+2. COMPLEX PRODUCED BY SOAKING TRYPSIN-BENZAMIDINE CO-CRYSTAL.
|
分辨率 1.90 Å R-free 0.229 |
| 1XUG TRYPSIN-BABIM-ZN+2, PH 8.2 提交 1997-10-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 ZN ZINC ION × 1 BAB BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.2；SYNTHETIC MOTHER LIQUOR = 75% SATURATED MAGNESIUM SULFATE, 25 % 1.0 M TRIS ADJUSTED TO PH 8.2; SATURATED IN BABIM, 5.0 MM ZN+2. COMPLEX PRODUCED BY SOAKING TRYPSIN-BENZAMIDINE CO-CRYSTAL.
|
分辨率 1.50 Å R-free 0.226 |
| 1XUH TRYPSIN-KETO-BABIM-CO+2, PH 8.2 提交 1997-10-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CO COBALT (II) ION × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 1 BAO BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.2；SYNTHETIC MOTHER LIQUOR = 75% SATURATED MAGNESIUM SULFATE, 25 % 1.0 M TRIS ADJUSTED TO PH 8.2; SATURATED IN KETO-BABIM, 5.0 MM CO+2. COMPLEX PRODUCED BY SOAKING TRYPSIN-BENZAMIDINE CO-CRYSTAL.
|
分辨率 2.20 Å R-free 0.188 |
| 1XUI TRYPSIN-KETO-BABIM, ZN+2-FREE, PH 8.2 提交 1997-10-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 NA SODIUM ION × 1 BAO BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.2；CRYSTALLIZED IN ABSENCE OF ZN+2, WITH MOTHER LIQUOR SATURATED IN KETO-BABIM., pH 8.2
|
分辨率 1.50 Å R-free 0.223 |
| 1XUJ TRYPSIN-KETO-BABIM-ZN+2, PH 8.2 提交 1997-10-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 BOZ BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.2；SYNTHETIC MOTHER LIQUOR = 75% SATURATED MAGNESIUM SULFATE, 25 % 1.0 M TRIS ADJUSTED TO PH 8.2; SATURATED IN KETO-BABIM, 5.0 MM ZN+2. COMPLEX PRODUCED BY SOAKING TRYPSIN-BENZAMIDINE CO-CRYSTAL.
|
分辨率 1.92 Å R-free 0.171 |
| 1XUK TRYPSIN-BABIM-SULFATE, PH 5.9 提交 1997-10-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 BAB BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.9；SYNTHETIC MOTHER LIQUOR = 75% SATURATED MAGNESIUM SULFATE, 25 % 1.0 M MES ADJUSTED TO PH 5.9; SATURATED IN BABIM, COMPLEX PRODUCED BY SOAKING TRYPSIN-BENZAMIDINE CO-CRYSTAL.
|
分辨率 1.80 Å R-free 0.171 |
| 1Y3U TRYPSIN INHIBITOR COMPLEX 提交 2004-11-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 UIQ (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ISOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；ammonium sulfate, MES, calcium chloride, benzamidinium hydrochloride, pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.80 Å R-free 0.201 |
| 1Y3V Trypsin Inhibitor Complex 提交 2004-11-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 UIR (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；ammonium sulfate, MES, calcium chloride, benzamidinium hydrochloride, pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.60 Å R-free 0.193 |
| 1Y3W TRYPSIN INHIBITOR COMPLEX 提交 2004-11-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 UIP (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；ammonium sulfate, MES, calcium chloride, benzamidinium hydrochloride, pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.80 Å R-free 0.237 |
| 1Y3X TRYPSIN INHIBITOR COMPLEX 提交 2004-11-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 UIB (1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL-5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL-6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL-1-YL}-BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；ammonium sulfate, MES, calcium chloride, benzamidinium hydrochloride, pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.70 Å R-free 0.204 |
| 1Y3Y TRYPSIN INHIBITOR COMPLEX 提交 2004-11-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 UIR (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；ammonium sulfate, Imidazol, Calcium chloride, benzamidin hydrochloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.75 Å R-free 0.199 |
| 1Y59 Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant 提交 2004-12-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：N97E, L99Y | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 TL1 2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL × 1 IMD IMIDAZOLE × 3 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；PEG 8000, Imidazole, Ammonium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
|
分辨率 1.20 Å R-free 0.167 |
| 1Y5A Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant 提交 2004-12-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：N97E, L99Y | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 TL2 2-O-{4-[AMINO(IMINO)METHYL]PHENYL}-5-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL × 1 IMD IMIDAZOLE × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；PEG 8000, Imidazole, Ammonium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
|
分辨率 1.40 Å R-free 0.211 |
| 1Y5B Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant 提交 2004-12-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：N97E, L99Y | SO4 SULFATE ION × 2 CA CALCIUM ION × 1 TL3 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL × 1 IMD IMIDAZOLE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；PEG 8000, Imidazole, Ammonium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
|
分辨率 1.65 Å R-free 0.221 |
| 1Y5U Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant 提交 2004-12-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 T
21–243（223 aa）
|
突变：N97E, L99Y | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 TL4 2-O-{3-[AMINO(IMINO)METHYL]PHENYL}-5-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL × 1 IMD IMIDAZOLE × 1 GOL GLYCEROL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；PEG 8000, Imidazole, Ammonium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
|
分辨率 1.60 Å R-free 0.215 |
| 1YP9 Trypsin Inhibitor Complex 提交 2005-01-31 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 UIZ (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL)-1-BENZYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROZILIN-4-YL-BENZAMIDINE × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；ammonium sulfate, Imidazol, Calcium chloride, benzamidin hydrochlorid, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.10 Å R-free 0.264 |
| 1YYY Trypsin inhibitors with rigid tripeptidyl aldehydes 提交 1998-06-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 1
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 0KV 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 2.10 Å |
| 1ZR0 Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin 提交 2005-05-18 | 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
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；310 K；Hepes, ammonium sulfate, calcium chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 310K
|
分辨率 1.80 Å R-free 0.295 |
| 1ZR0 Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin 提交 2005-05-18 | Assembly 2 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 C
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；310 K；Hepes, ammonium sulfate, calcium chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 310K
|
分辨率 1.80 Å R-free 0.295 |
| 1ZZZ Trypsin inhibitors with rigid tripeptidyl aldehydes 提交 1998-06-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
7–243（237 aa）
|
未记录 | 0IV 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 1.90 Å |
| 2A7H On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The Optimal Data Collection Wavelength 提交 2005-07-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.10 Å R-free 0.230 |
| 2AGE Succinyl-AAPR-trypsin acyl-enzyme at 1.15 A resolution 提交 2005-07-26 | 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 X
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；ammonium sulfate, bis-tris propane, calcium chloride, benzamidine, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.15 Å R-free 0.138 |
| 2AGG succinyl-AAPK-trypsin acyl-enzyme at 1.28 A resolution 提交 2005-07-26 | 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 X
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；ammonium sulfate, bis-tris propane, calcium chloride, benzamidine, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.28 Å R-free 0.158 |
| 2AGI The leupeptin-trypsin covalent complex at 1.14 A resolution 提交 2005-07-26 | 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 X
21–243（223 aa）
|
未记录 | SO4 SULFATE ION × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；ammonium sulfate, bis-tris propane, calcium chloride, benzamidine, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.14 Å R-free 0.138 |
| 2AH4 guanidinobenzoyl-trypsin acyl-enzyme at 1.13 A resolution 提交 2005-07-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 X
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 GBS 4-carbamimidamidobenzoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；ammonium sulfate, bis-tris propane, calcium chloride, 4-nitrophenyl 4-guanidinobenzoate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.13 Å R-free 0.146 |
| 2AYW Crystal Structure of the complex formed between trypsin and a designed synthetic highly potent inhibitor in the presence of benzamidine at 0.97 A resolution 提交 2005-09-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 1NJ 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid × 2 BEN BENZAMIDINE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；290 K；5mM MES, 1mM CaCl2, 2.5mM benzamidine, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K
|
分辨率 0.97 Å R-free 0.157 |
| 2BLV Trypsin before a high dose x-ray "burn" 提交 2005-03-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.20 Å R-free 0.128 |
| 2BLW Trypsin after a high dose X-ray "Burn" 提交 2005-03-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.20 Å R-free 0.130 |
| 2BTC BOVINE TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA PEPO TRYPSIN INHIBITOR II) 提交 1998-12-11 | 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 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6；pH 6.0
|
分辨率 1.50 Å R-free 0.212 |
| 2BY5 Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection 提交 2005-07-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 X
1–39（39 aa）
链 X
40–70（31 aa）
链 X
71–127（57 aa）
链 X
128–131（4 aa）
链 X
132–184（53 aa）
链 X
185–189（5 aa）
链 X
190–206（17 aa）
链 X
207–215（9 aa）
链 X
216–218（3 aa）
链 X
219–243（25 aa）
|
未记录 | BEN BENZAMIDINE × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
25% PEG 8000, 0.2 M AMMONIUM SULPHATE, 0.1 M TRIS-HCL PH 8.0
|
分辨率 1.30 Å R-free 0.138 |
| 2BY6 Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection 提交 2005-07-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 X
1–39（39 aa）
链 X
40–70（31 aa）
链 X
71–127（57 aa）
链 X
128–131（4 aa）
链 X
132–184（53 aa）
链 X
185–189（5 aa）
链 X
190–206（17 aa）
链 X
207–215（9 aa）
链 X
216–218（3 aa）
链 X
219–243（25 aa）
|
未记录 | BEN BENZAMIDINE × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
25% PEG 8000, 0.2 M AMMONIUM SULPHATE, 0.1 M TRIS-HCL PH 8.0
|
分辨率 1.30 Å R-free 0.139 |
| 2BY7 Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection 提交 2005-07-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 X
1–39（39 aa）
链 X
40–70（31 aa）
链 X
71–127（57 aa）
链 X
128–131（4 aa）
链 X
132–184（53 aa）
链 X
185–189（5 aa）
链 X
190–206（17 aa）
链 X
207–215（9 aa）
链 X
216–218（3 aa）
链 X
219–243（25 aa）
|
未记录 | BEN BENZAMIDINE × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
25% PEG 8000, 0.2 M AMMONIUM SULPHATE AND 0.1 M TRIS-HCL PH 8.0
|
分辨率 1.30 Å R-free 0.144 |
| 2BY8 Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection 提交 2005-07-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 X
1–39（39 aa）
链 X
40–70（31 aa）
链 X
71–127（57 aa）
链 X
128–131（4 aa）
链 X
132–184（53 aa）
链 X
185–189（5 aa）
链 X
190–206（17 aa）
链 X
207–215（9 aa）
链 X
216–218（3 aa）
链 X
219–243（25 aa）
|
未记录 | BEN BENZAMIDINE × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
25% PEG 8000, 0.2 M AMMONIUM SULPHATE AND 0.1 M TRIS-HCL PH 8.0
|
分辨率 1.30 Å R-free 0.144 |
| 2BY9 Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection 提交 2005-07-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 X
1–39（39 aa）
链 X
40–70（31 aa）
链 X
71–127（57 aa）
链 X
128–131（4 aa）
链 X
132–184（53 aa）
链 X
185–189（5 aa）
链 X
190–206（17 aa）
链 X
207–215（9 aa）
链 X
216–218（3 aa）
链 X
219–243（25 aa）
|
未记录 | BEN BENZAMIDINE × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
25% PEG 8000, 0.2 M AMMONIUM SULPHATE AND 0.1 M TRIS-HCL PH 8.0
|
分辨率 1.30 Å R-free 0.139 |
| 2BYA Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection 提交 2005-07-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 X
1–39（39 aa）
链 X
40–70（31 aa）
链 X
71–127（57 aa）
链 X
128–131（4 aa）
链 X
132–184（53 aa）
链 X
185–189（5 aa）
链 X
190–206（17 aa）
链 X
207–215（9 aa）
链 X
216–218（3 aa）
链 X
219–243（25 aa）
|
未记录 | BEN BENZAMIDINE × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
25% PEG 8000, 0.2 M AMMONIUM SULPHATE AND 0.1 M TRIS-HCL PH 8.0
|
分辨率 1.30 Å R-free 0.142 |
| 2BZA BOVINE PANCREAS BETA-TRYPSIN IN COMPLEX WITH BENZYLAMINE 提交 1999-03-16 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 ABN BENZYLAMINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6；pH 6.0
|
分辨率 1.90 Å R-free 0.195 |
| 2CMY Crystal complex between bovine trypsin and Veronica hederifolia trypsin inhibitor 提交 2006-05-16 | 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
21–243（223 aa）
|
未记录 | SO4 SULFATE ION × 2 CA CALCIUM ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8；CRYSTALS OF TRYPSIN WERE GROWN IN 2.5M AMMONIUM SULPHATE, 6MM CALCIUM CHLORIDE, 0.1M TRIS PH 8.15, 60MM BENZAMIDINE. THEY WERE BACKSOAKED IN 0.1M NA PHOSPHATE PH 5.8, 2.5M AMMONIUM SULPHATE TO REMOVE BENZAMIDINE. CRYSTALS WERE MOVED TO 2.5M AMMONIUM SULPHATE, 1MM CALCIUM CHLORDIE, 0.1M TRIS PH 8 AND PEPTIDE INHIBITOR ADDED AT 10MM AND INCUBATED FOR 16 HOURS.
|
分辨率 2.25 Å R-free 0.253 |
| 2D8W Structure of HYPER-VIL-trypsin 提交 2005-12-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | CA CALCIUM ION × 1 IOD IODIDE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2.0M ammonium sulfate, 60mM benzamidine, 6mM CaCl2, 50mM Tris/HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.00 Å R-free 0.256 |
| 2F3C Crystal structure of infestin 1, a Kazal-type serineprotease inhibitor, in complex with trypsin 提交 2005-11-20 | 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 E
21–243（223 aa）
片段：residues 21-243
|
未记录 | SO4 SULFATE ION × 4 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；303 K；30% PEG 4000, 0.1M Tris-HCl, 0.2 M lithium sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 303K
|
分辨率 2.50 Å R-free 0.252 |
| 2FI3 Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin 提交 2005-12-27 | 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 E
21–243（223 aa）
|
未记录 | NA SODIUM ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.75 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.218 |
| 2FI3 Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | NA SODIUM ION × 4 CA CALCIUM ION × 8 SO4 SULFATE ION × 32 EDO 1,2-ETHANEDIOL × 24 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.75 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.218 |
| 2FI3 Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.75 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.218 |
| 2FI3 Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 4 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.75 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.218 |
| 2FI3 Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 5 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.75 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.218 |
| 2FI3 Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 6 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.75 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.218 |
| 2FI3 Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 7 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 E
21–243（223 aa）
|
未记录 | NA SODIUM ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.75 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.218 |
| 2FI4 Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin 提交 2005-12-27 | 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 E
21–243（223 aa）
|
突变：N112D 非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.235 |
| 2FI4 Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 E
21–243（223 aa）
|
突变：N112D 非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 4 CA CALCIUM ION × 8 SO4 SULFATE ION × 32 EDO 1,2-ETHANEDIOL × 24 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.235 |
| 2FI4 Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
突变：N112D 非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.235 |
| 2FI4 Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 4 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
突变：N112D 非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.235 |
| 2FI4 Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 5 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
突变：N112D 非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.235 |
| 2FI4 Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 6 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
突变：N112D 非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.235 |
| 2FI4 Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 7 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 E
21–243（223 aa）
|
突变：N112D 非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.235 |
| 2FI5 Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin 提交 2005-12-27 | 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 E
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 7 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.5 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.223 |
| 2FI5 Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 E
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 4 CA CALCIUM ION × 8 SO4 SULFATE ION × 32 EDO 1,2-ETHANEDIOL × 28 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.5 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.223 |
| 2FI5 Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 14 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.5 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.223 |
| 2FI5 Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 4 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 14 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.5 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.223 |
| 2FI5 Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 5 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 14 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.5 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.223 |
| 2FI5 Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 6 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 14 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.5 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.223 |
| 2FI5 Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin 提交 2005-12-27 | Assembly 7 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 E
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 7 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；1.5 M ammonium sulfate, 0.1 M HEPES, 0.02% sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
分辨率 1.58 Å R-free 0.223 |
| 2FTL Crystal structure of trypsin complexed with BPTI at 100K 提交 2006-01-24 | 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 E
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；10 mM calcium chloride, 0.1 M HEPES, 1.8 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.62 Å R-free 0.227 |
| 2FTL Crystal structure of trypsin complexed with BPTI at 100K 提交 2006-01-24 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 E
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 4 CA CALCIUM ION × 8 SO4 SULFATE ION × 32 EDO 1,2-ETHANEDIOL × 24 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；10 mM calcium chloride, 0.1 M HEPES, 1.8 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.62 Å R-free 0.227 |
| 2FTL Crystal structure of trypsin complexed with BPTI at 100K 提交 2006-01-24 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；10 mM calcium chloride, 0.1 M HEPES, 1.8 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.62 Å R-free 0.227 |
| 2FTL Crystal structure of trypsin complexed with BPTI at 100K 提交 2006-01-24 | Assembly 4 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；10 mM calcium chloride, 0.1 M HEPES, 1.8 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.62 Å R-free 0.227 |
| 2FTL Crystal structure of trypsin complexed with BPTI at 100K 提交 2006-01-24 | Assembly 5 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 2 CA CALCIUM ION × 4 SO4 SULFATE ION × 16 EDO 1,2-ETHANEDIOL × 12 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；10 mM calcium chloride, 0.1 M HEPES, 1.8 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.62 Å R-free 0.227 |
| 2FTM Crystal structure of trypsin complexed with the BPTI variant (Tyr35->Gly) 提交 2006-01-24 | 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
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 1 SO4 SULFATE ION × 9 CA CALCIUM ION × 2 EDO 1,2-ETHANEDIOL × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；10 mM calcium chloride, 0.1 M HEPES, 2.0 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.65 Å R-free 0.220 |
| 2FTM Crystal structure of trypsin complexed with the BPTI variant (Tyr35->Gly) 提交 2006-01-24 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 A
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 4 SO4 SULFATE ION × 36 CA CALCIUM ION × 8 EDO 1,2-ETHANEDIOL × 16 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；10 mM calcium chloride, 0.1 M HEPES, 2.0 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.65 Å R-free 0.220 |
| 2FTM Crystal structure of trypsin complexed with the BPTI variant (Tyr35->Gly) 提交 2006-01-24 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 2 SO4 SULFATE ION × 18 CA CALCIUM ION × 4 EDO 1,2-ETHANEDIOL × 8 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；10 mM calcium chloride, 0.1 M HEPES, 2.0 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.65 Å R-free 0.220 |
| 2FTM Crystal structure of trypsin complexed with the BPTI variant (Tyr35->Gly) 提交 2006-01-24 | Assembly 4 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 2 SO4 SULFATE ION × 18 CA CALCIUM ION × 4 EDO 1,2-ETHANEDIOL × 8 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；10 mM calcium chloride, 0.1 M HEPES, 2.0 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.65 Å R-free 0.220 |
| 2FTM Crystal structure of trypsin complexed with the BPTI variant (Tyr35->Gly) 提交 2006-01-24 | Assembly 5 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 2 SO4 SULFATE ION × 18 CA CALCIUM ION × 4 EDO 1,2-ETHANEDIOL × 8 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；10 mM calcium chloride, 0.1 M HEPES, 2.0 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.65 Å R-free 0.220 |
| 2FTM Crystal structure of trypsin complexed with the BPTI variant (Tyr35->Gly) 提交 2006-01-24 | Assembly 6 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
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | NA SODIUM ION × 1 SO4 SULFATE ION × 9 CA CALCIUM ION × 2 EDO 1,2-ETHANEDIOL × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；10 mM calcium chloride, 0.1 M HEPES, 2.0 M ammonium sulfate, 0.02% sodium azide; 20% ethylene glycol added upon harvesting and prior to freezing, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.65 Å R-free 0.220 |
| 2FX4 Bovine trypsin bound by 4-piperidinebutyrate to make acylenzyme complex 提交 2006-02-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
片段：cationic trypsin, residues 21-243
|
未记录 | CA CALCIUM ION × 1 C1R 4-PIPERIDINEBUTYRATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8.2；298 K；25-35 mg/ml protein, 10 mM benzamidine, 0.9-1.2 M Magnesium sulfate, 25-50 mM Tris-HCl, 1.0 mM CaCl2, hanging/sitting drop, 4piperidinebutyrate, pH 8.20, VAPOR DIFFUSION, temperature 298K
|
分辨率 1.65 Å R-free 0.198 |
| 2FX6 bovine trypsin complexed with 2-aminobenzamidazole 提交 2006-02-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
片段：Cationic trypsin, residues 21-243
|
未记录 | CA CALCIUM ION × 1 AX7 1H-benzimidazol-2-amine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；298 K；benzamidine, magnesium sulfate, CaCl2, 0.1 M Tris-HCl, pH 8.1-8.2, VAPOR DIFFUSION, temperature 298K
|
分辨率 1.57 Å R-free 0.215 |
| 2G55 Anomalous substructure of trypsin (P3121) 提交 2006-02-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 3 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.82 Å R-free 0.208 |
| 2G5N Indole-amidine Complexes with Bovine Trypsin 提交 2006-02-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 23M 2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Trypsin, final concentration of 0.6 mM, was dissolved in 20 mM HEPES pH 7.0, 10 mM calcium chloride, 3% DMSO, and 3 mM of ligand of interest (compounds 3, 6, and 9). The well solution consisted of 100 mM Cacodylate pH 6.5, 200 mM ammonium sulfate, 50% PEG (17% to 28%). Drop ratio 1:1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.51 Å R-free 0.204 |
| 2G5V Indole-amidine Complexes with Bovine Trypsin 提交 2006-02-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 22M 2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBOXIMIDAMIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Trypsin, final concentration of 0.6 mM, was dissolved in 20 mM HEPES pH 7.0, 10 mM calcium chloride, 3% DMSO, and 3 mM of ligand of interest (compounds 3, 6, and 9). The well solution consisted of 100 mM Cacodylate pH 6.5, 200 mM ammonium sulfate, 50% PEG (17% to 28%). The ligands were co crystallized with protein using vapor diffusion and hanging drop method. The drops were 1:1 (protein:well solution), VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.45 Å R-free 0.219 |
| 2G81 Crystal Structure of the Bowman-Birk Inhibitor from Vigna unguiculata Seeds in Complex with Beta-trypsin at 1.55 Angstrons Resolution 提交 2006-03-01 | 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 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 PGE TRIETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 1 ACY ACETIC ACID × 2 P6G HEXAETHYLENE GLYCOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；294 K；0.1M Hepes-Na buffer pH 7.5, 5% (v/v) PEG 400, 2.0M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
分辨率 1.55 Å R-free 0.169 |
| 2G8T Indole-amidine Complexes with Bovine Trypsin 提交 2006-03-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 MI2 2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Trypsin, final concentration of 0.6 mM, was dissolved in 20 mM HEPES pH 7.0, 10 mM calcium chloride, 3% DMSO, and 3 mM of ligand of interest (compounds 3, 6, and 9). The well solution consisted of 100 mM Cacodylate pH 6.5, 200 mM ammonium sulfate, 50% PEG (17% to 28%). The ligands were co crystallized with protein using vapor diffusion and hanging drop method. The drops were 1:1 (protein:well solution) and the plates were stored at 20 degrees centigrade. The crystals were generally present within two days. The cryo-protectant consisted of adding 75 l of an adjusted well solution, adjusted with PEG 8000 to 0.5% higher, and 25 l of glycerol. drop 1:1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.41 Å R-free 0.200 |
| 2ILN Crystal structure of the Bowman-Birk inhibitor from snail medic seeds in complex with bovine trypsin 提交 2006-10-03 | 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
21–243（223 aa）
链 B
21–243（223 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；1.5M lithium sulphate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K
|
分辨率 2.00 Å R-free 0.287 |
| 2J9N Robotically harvested Trypsin complexed with Benzamidine containing polypeptide mediated crystal contacts 提交 2006-11-14 | 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
21–243（223 aa）
片段：RESIDUES 21-243
|
未记录 | CA CALCIUM ION × 1 NA SODIUM ION × 1 BEN BENZAMIDINE × 1 IPH PHENOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；295 K；STOCK: 60 MG BOVINE TRYPSIN (SIGMA) PLUS 5 MG BENZAMIDINE (SIGMA) IN 1 ML OF HEPES BUFFER 0.1M PH 7.0 AND 3 MM CACL2. COCKTAIL: 15% PEG 3350 IN 0.1 M HEPES PH 7.0 ALSO CONTAINING 10 MG/ML SALMON SPERM PROTAMINE (SIGMA) DROP: 2 UL STOCK PLUS 2 UL COCKTAIL IN CRYSCHEM PLATES AT 22 DEG C.
|
分辨率 1.50 Å R-free 0.176 |
| 2O9Q The crystal structure of Bovine Trypsin complexed with a small inhibition peptide ORB2K 提交 2006-12-14 | 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
21–243（223 aa）
片段：Cationic trypsin
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；289 K；0.5MCaCl2, 0.5M (NH4)2SO4, 0.1M HEPEs-Na, 25% PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
分辨率 1.70 Å R-free 0.195 |
| 2OTV Crystal structure of the complex formed between bovine trypsin and nicotinamide at 1.56 A resolution 提交 2007-02-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 NCA NICOTINAMIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；Ammonium sulphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.56 Å R-free 0.186 |
| 2OXS Crystal Structure of the trypsin complex with benzamidine at high temperature (35 C) 提交 2007-02-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；308 K；PEG 9000, 2,5mM benzamidine, ammonium sulphate. CaCl2, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 308K
|
分辨率 1.32 Å R-free 0.158 |
| 2PLX Trypsin complexed to a synthetic peptide from Veronica hederifolia 提交 2007-04-20 | 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
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 FLC CITRATE ANION × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291.15 K；1.3-1.5M Na Citrate, 0.1M Na Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K
|
分辨率 1.56 Å R-free 0.188 |
| 2PTC THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS 提交 1982-09-27 | 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 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å |
| 2PTC THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS 提交 1982-09-27 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 4 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å |
| 2PTN ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY 提交 1981-10-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.55 Å |
| 2QN5 Crystal Structure and Functional Study of the Bowman-Birk Inhibitor from Rice Bran in Complex with Bovine Trypsin 提交 2007-07-18 | 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 T
21–243（223 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 7；293 K；11% PEG6000, 0.1M HEPES , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 3.00 Å R-free 0.322 |
| 2QYI Crystal structure of a binary complex between an engineered trypsin inhibitor and Bovine trypsin 提交 2007-08-15 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
21–243（223 aa）
链 C
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 2 NI NICKEL (II) ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；293 K；30% Jefamine, VAPOR DIFFUSION, temperature 293K
|
分辨率 2.60 Å R-free 0.268 |
| 2TGA ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY 提交 1981-10-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å |
| 2TGD LACK OF THE TRANSITION STATE STABILIZATION SITE IS A FACTOR IN THE INACTIVITY OF TRYPSINOGEN, A SERINE PROTEASE ZYMOGEN. STRUCTURE OF DFP INHIBITED BOVINE TRYPSINOGEN AT 2.1 ANGSTROMS RESOLUTION 提交 1986-03-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 1 DFP DIISOPROPYL PHOSPHONATE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.10 Å |
| 2TGP THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS 提交 1982-09-27 | 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 Z
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å |
| 2TGP THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS 提交 1982-09-27 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 Z
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 4 SO4 SULFATE ION × 8 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å |
| 2TGP THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS 提交 1982-09-27 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 Z
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 2 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å |
| 2TGP THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS 提交 1982-09-27 | Assembly 4 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 Z
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 2 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å |
| 2TGT ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY 提交 1981-10-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
15–243（229 aa）
|
未记录 | CA CALCIUM ION × 1 MOH METHANOL × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.70 Å |
| 2TIO LOW PACKING DENSITY FORM OF BOVINE BETA-TRYPSIN IN CYCLOHEXANE 提交 1998-09-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 3 BEN BENZAMIDINE × 1 HEX HEXANE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；HANGING DROP METHOD: THE PROTEIN WAS DISSOLVED IN 33 MM TRIS-HCL BUFFER (PH 5.8) IN THE PRESENCE OF 4 MM CACL2 AND 90 MM BENZAMIDINE TO THE CONCENTRATION 40 MG/ML. THE PRECIPITANT AND RESERVOIR SOLUTION CONTAINED 2.1 M (NH4)2SO4, 4 MM CACL2, 33 MM TRIS-HCL AT PH 6.0., vapor diffusion - hanging drop
|
分辨率 1.93 Å R-free 0.228 |
| 2TLD CRYSTAL STRUCTURE OF AN ENGINEERED SUBTILISIN INHIBITOR COMPLEXED WITH BOVINE TRYPSIN 提交 1991-09-16 | 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 E
21–243（223 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.60 Å |
| 2TPI ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY 提交 1981-10-26 | 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 Z
15–243（229 aa）
|
未记录 | ILE ISOLEUCINE × 1 VAL VALINE × 1 HG MERCURY (II) ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.10 Å |
| 2UUY Structure of a tick tryptase inhibitor in complex with bovine trypsin 提交 2007-03-08 | 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
21–243（223 aa）
片段：RESIDUES 21-243
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
0.1 M BIS-TRIS, PH 6.5 0.2 M MGCL2 25% PEG3350 (W/V)
|
分辨率 1.15 Å R-free 0.163 |
| 2XTT Bovine trypsin in complex with evolutionary enhanced Schistocerca gregaria protease inhibitor 1 (SGPI-1-P02) 提交 2010-10-12 | 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 ACT ACETATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 4.6；EQUAL AMOUNT OF PROTEIN SOLUTION (9.1 MG/ML PROTEIN COMPLEX IN 0.5 MM MES PH 6.0 BUFFER) AND PRECIPITANT SOLUTION (30% PEG 4000, 0.3 M AMMONIUM ACETATE, 0.1 M NA-ACETATE PH 4.6) WERE MIXED AND EQUILIBRATED AGAINST 0.5 ML PRECIPITANT SOLUTION.
|
分辨率 0.93 Å R-free 0.140 |
| 2ZDK Exploring Trypsin S3 Pocket 提交 2007-11-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 50U (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 7 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；289 K；0.1M Imidazole buffer, 0.1M ammonium sulfate, 25% PEG 8000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
分辨率 1.67 Å R-free 0.193 |
| 2ZDL Exploring trypsin S3 pocket 提交 2007-11-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 45U (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide × 1 GOL GLYCEROL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；0.1M Imidazole buffer, 0.1M ammonium sulfate, 30% PEG8000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
分辨率 1.80 Å R-free 0.208 |
| 2ZDM Exploring trypsin S3 pocket 提交 2007-11-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 46U (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；289 K；0.1M Imidazole buffer, 0.1M ammonium sulfate, 25% PEG8000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
分辨率 1.93 Å R-free 0.238 |
| 2ZDN Exploring trypsin S3 pocket 提交 2007-11-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 49U (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；0.1M Imidazole buffer, 0.1M ammonium sulfate, 35% PEG8000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
分辨率 1.98 Å R-free 0.227 |
| 2ZFS Exploring trypsin S3 pocket 提交 2008-01-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 12U N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；0.1M Imidazole buffer, 0.1M ammonium sulfate, 30% PEG8000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
分辨率 1.51 Å R-free 0.191 |
| 2ZFT Exploring trypsin S3 pocket 提交 2008-01-11 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 10U (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；0.1M Imidazole buffer, 0.1M ammonium sulfate, 30% PEG8000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
分辨率 1.76 Å R-free 0.231 |
| 2ZHD Exploring trypsin S3 pocket 提交 2008-02-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 12U N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide × 1 GOL GLYCEROL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；289 K；1.9M Ammonium sulfate, 50mM MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
分辨率 1.94 Å R-free 0.246 |
| 2ZQ1 Exploring trypsin S3 pocket 提交 2008-08-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 11U (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；0.1M Imidazole buffer, 0.1M ammonium sulfate, 30% PEG8000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
分辨率 1.68 Å R-free 0.218 |
| 2ZQ2 Exploring trypsin S3 pocket 提交 2008-08-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 13U N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide × 1 GOL GLYCEROL × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；289 K；1.9M Ammonium sulfate, 50mM MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
分辨率 1.40 Å R-free 0.162 |
| 3A7T Crystal Structure of Trypsin complexed with 4-formylbenzimidamide 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 4FZ 4-formylbenzenecarboximidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.75 Å R-free 0.178 |
| 3A7V Crystal Structure of Trypsin complexed with 3-formylbenzimidamide 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 3FZ 3-formylbenzenecarboximidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.75 Å R-free 0.176 |
| 3A7W Crystal Structure of Trypsin complexed with (E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide (soaking 4hours) 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 O04 (E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.75 Å R-free 0.168 |
| 3A7X Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 45seconds) 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 3 O09 (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.75 Å R-free 0.183 |
| 3A7Y Crystal Structure of Trypsin complexed with (E)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide (soaking 2hours) 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 1 O13 (E)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.81 Å R-free 0.172 |
| 3A7Z Crystal Structure of Trypsin complexed with (E)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide (soaking 3hours) 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 1 O14 (E)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.80 Å R-free 0.185 |
| 3A80 Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid (soaking 40seconds) 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 O15 (E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.75 Å R-free 0.193 |
| 3A81 Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 8 hours) 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 2 H06 (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.78 Å R-free 0.183 |
| 3A82 Crystal Structure of Trypsin complexed with pre-synthesized (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 O09 (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.75 Å R-free 0.179 |
| 3A83 Crystal Structure of Trypsin complexed with pre-synthesized (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 1 H06 (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.78 Å R-free 0.184 |
| 3A84 Crystal Structure of Trypsin complexed with(E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 5 seconds) 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 1 O09 (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.75 Å R-free 0.188 |
| 3A85 Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 15 seconds) 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 2 O09 (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.75 Å R-free 0.183 |
| 3A86 Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 30 seconds) 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 4 O09 (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.75 Å R-free 0.185 |
| 3A87 Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 5 minutes) 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 H06 (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.75 Å R-free 0.193 |
| 3A88 Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 30 minutes) 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 2 H06 (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.75 Å R-free 0.188 |
| 3A89 Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 4 hours) 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 2 H06 (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.80 Å R-free 0.193 |
| 3A8A Crystal Structure of Trypsin complexed with 4-formylbenzimidamide and aniline 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 4FZ 4-formylbenzenecarboximidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.40 Å R-free 0.187 |
| 3A8B Crystal Structure of Trypsin complexed with (E)-4-((4-bromophenylimino)methyl)benzimidamide 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 DMS DIMETHYL SULFOXIDE × 2 SO4 SULFATE ION × 1 GOL GLYCEROL × 6 BR6 (E)-4-((4-bromophenylimino)methyl)benzimidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.75 Å R-free 0.189 |
| 3A8C Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking with mixture of [(E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid] and [(E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid]) 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 O09 (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.85 Å R-free 0.190 |
| 3A8D Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (under aniline-free condition) 提交 2009-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 5 O09 (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.75 Å R-free 0.183 |
| 3AAS Bovine beta-trypsin bound to meta-guanidino schiff base copper (II) chelate 提交 2009-11-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | GUS (E)-N-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-L-alanine × 1 CA CALCIUM ION × 1 CU COPPER (II) ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
|
分辨率 1.75 Å R-free 0.209 |
| 3AAU Bovine beta-trypsin bound to meta-diguanidino schiff base copper (II) chelate 提交 2009-11-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | GZC N,N'''-{ethane-1,2-diylbis[nitrilo(E)methylylidene(4-hydroxybenzene-3,1-diyl)]}diguanidine × 1 CA CALCIUM ION × 1 CU COPPER (II) ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å R-free 0.202 |
| 3AAV Bovine beta-trypsin bound to meta-diamidino schiff base copper (II) chelate 提交 2009-11-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | A2C 3,3'-[ethane-1,2-diylbis(nitrilomethylylidene)]bis(4-hydroxybenzenecarboximidamide) × 1 CA CALCIUM ION × 1 CU COPPER (II) ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
|
分辨率 1.70 Å R-free 0.209 |
| 3AAV Bovine beta-trypsin bound to meta-diamidino schiff base copper (II) chelate 提交 2009-11-26 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
24–246（223 aa）
|
未记录 | A2C 3,3'-[ethane-1,2-diylbis(nitrilomethylylidene)]bis(4-hydroxybenzenecarboximidamide) × 1 CA CALCIUM ION × 1 CU COPPER (II) ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
|
分辨率 1.70 Å R-free 0.209 |
| 3ATI Crystal structure of trypsin complexed with (3-methoxyphenyl)methanamine 提交 2011-01-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 DMS DIMETHYL SULFOXIDE × 4 SZ4 1-(3-methoxyphenyl)methanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M TRIS-HCL, 30% PEG 3350, 0.2M LITHIUM SULFATE, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.71 Å R-free 0.223 |
| 3ATK Crystal structure of trypsin complexed with cycloheptanamine 提交 2011-01-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 DMS DIMETHYL SULFOXIDE × 2 SZ1 cycloheptanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M TRIS-HCL, 30% PEG 3350, 0.2M LITHIUM SULFATE, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.74 Å R-free 0.184 |
| 3ATL Crystal structure of trypsin complexed with benzamidine 提交 2011-01-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 DMS DIMETHYL SULFOXIDE × 3 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M TRIS-HCL, 30% PEG 3350, 0.2M LITHIUM SULFATE, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.74 Å R-free 0.188 |
| 3ATM Crystal structure of trypsin complexed with 2-(1H-indol-3-yl)ethanamine 提交 2011-01-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 DMS DIMETHYL SULFOXIDE × 3 TSS 2-(1H-INDOL-3-YL)ETHANAMINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M TRIS-HCL, 30% PEG 3350, 0.2M LITHIUM SULFATE, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.72 Å R-free 0.171 |
| 3BTD The Crystal Structures of the Complexes Between the Bovine Beta-Trypsin and Ten P1 Variants of BPTI. 提交 1999-03-11 | 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 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 1.90 Å R-free 0.230 |
| 3BTD The Crystal Structures of the Complexes Between the Bovine Beta-Trypsin and Ten P1 Variants of BPTI. 提交 1999-03-11 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 1.90 Å R-free 0.230 |
| 3BTE The Crystal Structures of the Complexes Between Bovine Beta-Trypsin and Ten P1 Variants of BPTI. 提交 1999-03-11 | 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 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；0.1 M HEPES PH 7.5, 48% AMMONIUM SULPHATE
|
分辨率 1.85 Å R-free 0.227 |
| 3BTE The Crystal Structures of the Complexes Between Bovine Beta-Trypsin and Ten P1 Variants of BPTI. 提交 1999-03-11 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；0.1 M HEPES PH 7.5, 48% AMMONIUM SULPHATE
|
分辨率 1.85 Å R-free 0.227 |
| 3BTF THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI. 提交 1999-03-10 | 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 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；0.1 M HEPES PH 7.5
48% AMMONIUM SULPHATE
|
分辨率 1.80 Å R-free 0.225 |
| 3BTF THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI. 提交 1999-03-10 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；0.1 M HEPES PH 7.5
48% AMMONIUM SULPHATE
|
分辨率 1.80 Å R-free 0.225 |
| 3BTF THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI. 提交 1999-03-10 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；0.1 M HEPES PH 7.5
48% AMMONIUM SULPHATE
|
分辨率 1.80 Å R-free 0.225 |
| 3BTG THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | 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 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；0.1 M HEPES PH 7.5
48% AMMONIUM SULPHATE
|
分辨率 1.90 Å R-free 0.237 |
| 3BTG THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；0.1 M HEPES PH 7.5
48% AMMONIUM SULPHATE
|
分辨率 1.90 Å R-free 0.237 |
| 3BTG THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；0.1 M HEPES PH 7.5
48% AMMONIUM SULPHATE
|
分辨率 1.90 Å R-free 0.237 |
| 3BTH THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | 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 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 1.75 Å R-free 0.235 |
| 3BTH THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 1.75 Å R-free 0.235 |
| 3BTH THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 1.75 Å R-free 0.235 |
| 3BTK THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | 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 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 1.85 Å R-free 0.230 |
| 3BTK THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 1.85 Å R-free 0.230 |
| 3BTK THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 1.85 Å R-free 0.230 |
| 3BTM THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | 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 E
21–117（97 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 1.80 Å R-free 0.228 |
| 3BTM THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 E
21–117（97 aa）
|
未记录 | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 1.80 Å R-free 0.228 |
| 3BTM THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–117（97 aa）
|
未记录 | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 1.80 Å R-free 0.228 |
| 3BTQ THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | 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 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 1.90 Å R-free 0.231 |
| 3BTQ THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 1.90 Å R-free 0.231 |
| 3BTQ THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 1.90 Å R-free 0.231 |
| 3BTT THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | 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 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；0.1 M HEPES PH 7.5 48% AMMONIUM SULPHATE
|
分辨率 1.90 Å R-free 0.232 |
| 3BTT THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；0.1 M HEPES PH 7.5 48% AMMONIUM SULPHATE
|
分辨率 1.90 Å R-free 0.232 |
| 3BTT THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-10 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；0.1 M HEPES PH 7.5 48% AMMONIUM SULPHATE
|
分辨率 1.90 Å R-free 0.232 |
| 3BTW THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-11 | 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 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 2.05 Å R-free 0.238 |
| 3BTW THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-11 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 4 SO4 SULFATE ION × 16 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 2.05 Å R-free 0.238 |
| 3BTW THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI 提交 1999-03-11 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 2 SO4 SULFATE ION × 8 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；pH 7.5
|
分辨率 2.05 Å R-free 0.238 |
| 3D65 Crystal structure of Textilinin-1, a Kunitz-type serine protease inhibitor from the Australian Common Brown snake venom, in complex with trypsin 提交 2008-05-19 | 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 E
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M HEPES-Na, 1.4M tri-sodium citrate dehydrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 1.64 Å R-free 0.245 |
| 3E8L The Crystal Structure of the Double-headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins 提交 2008-08-20 | 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
21–243（223 aa）
链 B
21–243（223 aa）
|
未记录 | GOL GLYCEROL × 7 ACT ACETATE ION × 4 SO4 SULFATE ION × 2 NA SODIUM ION × 3 CA CALCIUM ION × 7 EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 6.5；291 K；0.1M sodium cacodylate pH6.5, 0.2M (NH4)2SO4 20% PEG 8000, EVAPORATION, temperature 291K
|
分辨率 2.48 Å R-free 0.245 |
| 3GY2 A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC 提交 2009-04-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BRN BERENIL × 1 EDO 1,2-ETHANEDIOL × 6 SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；12% PEG8000, 0.1M ammonium sulfate, 0.05M Tris-HCl, 0.008M CaCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.57 Å R-free 0.184 |
| 3GY3 A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC 提交 2009-04-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 PNT 1,5-BIS(4-AMIDINOPHENOXY)PENTANE × 1 EDO 1,2-ETHANEDIOL × 7 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；14.5% PEG4000, 0.1M ammonium sulfate, 0.05M Tris-HCl, 0.008M CaCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.70 Å R-free 0.212 |
| 3GY4 A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC 提交 2009-04-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 PBZ P-AMINO BENZAMIDINE × 1 EDO 1,2-ETHANEDIOL × 5 SO4 SULFATE ION × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；14% PEG8000, 0.1M ammonium sulfate, 0.05M Tris-HCl, 0.008M CaCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.55 Å R-free 0.175 |
| 3GY5 A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC 提交 2009-04-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BRN BERENIL × 1 EDO 1,2-ETHANEDIOL × 7 SO4 SULFATE ION × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；12% PEG8000, 0.1M ammonium sulfate, 0.05M Tris-HCl, 0.008M CaCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.57 Å R-free 0.197 |
| 3GY6 A comparative study on the inhibition of bovine beta-trypsin by the bis-benzamidines diminazene and pentamidine 提交 2009-04-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BRN BERENIL × 1 EDO 1,2-ETHANEDIOL × 4 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；14.5% PEG4000, 0.1M ammonium sulfate, 0.05M Tris-HCl, 0.008M CaCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.70 Å R-free 0.227 |
| 3GY7 A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC 提交 2009-04-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 EDO 1,2-ETHANEDIOL × 4 SO4 SULFATE ION × 7 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；14% PEG8000, 0.1M ammonium sulfate, 0.05M Tris-HCl, 0.008M CaCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.55 Å R-free 0.200 |
| 3GY8 A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC 提交 2009-04-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BRN BERENIL × 1 EDO 1,2-ETHANEDIOL × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；14.5% PEG4000, 0.1M ammonium sulfate, 0.05M Tris-HCl, 0.008M CaCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.75 Å R-free 0.223 |
| 3I29 Crystal structure of a binary complex between an mutant trypsin inhibitor with bovine trypsin 提交 2009-06-29 | 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.40 Å R-free 0.287 |
| 3ITI Structure of bovine trypsin with the MAD triangle B3C 提交 2009-08-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | BRV 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid × 1 BEN BENZAMIDINE × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 9.5；293 K；precipitant: 30% PEG 3000, 0.1 M CHES, protein 60 mg/ml, drop size 100 nL protein solution plus 100 nl precipitant, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 1.55 Å R-free 0.213 |
| 3LJJ Bovine trypsin in complex with UB-THR 10 提交 2010-01-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：residues 24-246
|
未记录 | 10U (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；289 K；1.9M Ammonium sulfate, 50mM MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
分辨率 1.55 Å |
| 3LJO Bovine trypsin in complex with UB-THR 11 提交 2010-01-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：residues 24-246
|
未记录 | 11U (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；289 K；CRYSTALLIZATION CONDITIONS: 1.9M AMMONIUM SULFATE, 50MM MES, PH 6.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K
|
分辨率 1.50 Å R-free 0.189 |
| 3M35 Trypsin in complex with the inhibitor 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423) 提交 2010-03-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：UNP residues 21-468
|
未记录 | M35 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.20 Å R-free 0.234 |
| 3M7Q Crystal structure of recombinant Kunitz Type serine protease Inhibitor-1 from the Caribbean sea anemone stichodactyla helianthus in complex with bovine pancreatic trypsin 提交 2010-03-17 | 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
24–246（223 aa）
|
未记录 | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 5.5；288.15 K；25% PEG 3350, 0.2M magnesium chloride hexahydrate, 0.1M Bis-Tris, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 288.15K
|
分辨率 1.70 Å R-free 0.188 |
| 3MFJ Bovine trypsin at 0.8 A resolution, restrained refinement 提交 2010-04-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：residues 24-246
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Protein solution: 30 mg/ml, 5 mg/ml benzamidine, 3 mM CaCl2, 30 mM HEPES buffer pH 7.0. Well solution: 20 % PEG8000, 200 mM Am2SO4, 100 mM cacodylate buffer pH 6.5, 15 % glycerol. Protein and well solutions mixed 1:1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 0.80 Å R-free 0.112 |
| 3MI4 Bovine trypsin at 0.8 A resolution, non-restrained refinement 提交 2010-04-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：residues 24-246
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Protein solution: 30 mg/ml, 5 mg/ml benzamidine, 3 mM CaCl2, 30 mM HEPES buffer pH 7.0. Well solution: 20% PEG8000, 200 mM Am2SO4, 100 mM cacodylate buffer pH 6.5, 15% glycerol. Protein and well solutions mixed 1:1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 0.80 Å R-free 0.112 |
| 3NK8 Trypsin in complex with fluorine-containing fragment 提交 2010-06-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 4 CA CALCIUM ION × 1 JKZ 4-(trifluoromethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；25% PEG 3350, 0.2 M LiSO4, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.15 Å R-free 0.143 |
| 3NKK Trypsin in complex with fluorine containing fragment 提交 2010-06-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 4 CA CALCIUM ION × 1 JLZ 3-fluoro-4-methylbenzenecarboximidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；25% PEG3350, 0.2M LiSO4, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.12 Å R-free 0.148 |
| 3OTJ A Crystal Structure of Trypsin Complexed with BPTI (Bovine Pancreatic Trypsin Inhibitor) by X-ray/Neutron Joint Refinement 提交 2010-09-12 | 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 E
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 5 | 未声明 |
X-ray结晶条件
pH 7.5；298 K；(NH4)2SO4, CaCl2, HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
分辨率 2.15 Å |
| 3PLB Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor 提交 2010-11-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：UNP residues 24-246
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178Y, S195A, V228I | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；20% PEG 8000, 0.1M imidazole, 0.3M ammonium sulphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.18 Å R-free 0.148 |
| 3PLK Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor 提交 2010-11-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：UNP residues 24-246
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178Y, S195A, V228I | CA CALCIUM ION × 1 ANH METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；20% PEG 8000, 0.1M imidazole, 0.1M ammonium sulphate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 1.53 Å R-free 0.157 |
| 3PLP Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor 提交 2010-11-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：UNP residues 24-246
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178Y, S195A, V228I | CA CALCIUM ION × 1 BBA 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；20% PEG 8000, 0.1M IMIDAZOLE, 0.2M AMMONIUM SULPHATE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.63 Å R-free 0.211 |
| 3PM3 Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor 提交 2010-11-16 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：UNP residues 24-246
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178Y, S195A, V228I | CA CALCIUM ION × 1 TFN N-(benzylsulfonyl)-O-tert-butyl-D-seryl-N-(4-carbamimidoylbenzyl)glycinamide × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；30% PEG 8000, 0.1M IMIDAZOLE, 0.2M AMMONIUM SULPHATE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.53 Å R-free 0.181 |
| 3PMJ Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor 提交 2010-11-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178Y, S195A, V228I | CA CALCIUM ION × 1 PMJ N~2~-(benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)glycinamide × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 4 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG 8000, 0.1M IMIDAZOLE, 0.3M AMMONIUM SULFATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.45 Å R-free 0.230 |
| 3PMJ Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor 提交 2010-11-17 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
24–246（223 aa）
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178Y, S195A, V228I | CA CALCIUM ION × 2 PMJ N~2~-(benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)glycinamide × 2 GOL GLYCEROL × 2 SO4 SULFATE ION × 8 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG 8000, 0.1M IMIDAZOLE, 0.3M AMMONIUM SULFATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.45 Å R-free 0.230 |
| 3PTB THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS 提交 1982-09-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.70 Å |
| 3PTN ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY 提交 1981-10-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.70 Å |
| 3PWB Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor 提交 2010-12-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：UNP residues 24-246
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178I, S195A, S218E, V228I | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.1M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.63 Å R-free 0.210 |
| 3PWC Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor 提交 2010-12-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：cationic trypsin, UNP residues 24-246
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178I, S195A, S118E, V228I | CA CALCIUM ION × 1 ANH METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；20% PEG8000, 0.2M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.60 Å R-free 0.199 |
| 3PYH Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor 提交 2010-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：UNP residues 24-246
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178I, S195A, S118E, V228I | CA CALCIUM ION × 1 3YH 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000,0.1M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.00 Å R-free 0.218 |
| 3Q00 Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor 提交 2010-12-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：UNP residues 24-246
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178I, S195A, S118E, V228I | CA CALCIUM ION × 1 PMJ N~2~-(benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)glycinamide × 1 SO4 SULFATE ION × 2 PEU 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；30% PEG8000, 0.2M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.70 Å R-free 0.208 |
| 3QK1 Crystal Structure of Enterokinase-like Trypsin Variant 提交 2011-01-31 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：Enterokinase-like Trypsin, residues 24-246
|
突变：S96K, N97R, T98R, L99K | CA CALCIUM ION × 1 SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 4 IMD IMIDAZOLE × 1 GOL GLYCEROL × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1 M imidazole
0.2 M ammonium sulfate
30% (w/v) PEG 8000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.08 Å R-free 0.237 |
| 3RDZ Crystal Structure of rBTI-trypsin complex at 2.26 angstrom resolution 提交 2011-04-02 | 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；15% (w/v) PEG 3350, 200mM magnesium chloride, 100mM Tris-HCl (pH 9.0), VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 2.26 Å R-free 0.227 |
| 3RDZ Crystal Structure of rBTI-trypsin complex at 2.26 angstrom resolution 提交 2011-04-02 | Assembly 2 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；15% (w/v) PEG 3350, 200mM magnesium chloride, 100mM Tris-HCl (pH 9.0), VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 2.26 Å R-free 0.227 |
| 3RU4 Crystal structure of the Bowman-Birk serine protease inhibitor BTCI in complex with trypsin and chymotrypsin 提交 2011-05-04 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 5 PDB 声明：pentameric（5） 与蛋白数一致 |
链 T
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 6 SO4 SULFATE ION × 9 EDO 1,2-ETHANEDIOL × 6 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；294 K；0.1 M HEPES pH 7.5, 10%(w/v) polyethylene glycol (PEG) 6000, 5%(v/v) 2-methyl-2,4-pentanediol (MPD), VAPOR DIFFUSION, SITTING DROP, temperature 294K
|
分辨率 1.68 Å R-free 0.192 |
| 3RXA Crystal structure of Trypsin complexed with cycloheptanamine 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 5 SZ1 cycloheptanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.70 Å R-free 0.193 |
| 3RXB Crystal structure of Trypsin complexed with 4-guanidinobutanoic acid 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 2 ALG 4-carbamimidamidobutanoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.70 Å R-free 0.173 |
| 3RXC Crystal structure of Trypsin complexed with 2-aminopyridine 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 4 DMS DIMETHYL SULFOXIDE × 2 2AP 2-AMINOPYRIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.70 Å R-free 0.190 |
| 3RXD Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamine 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 2 SZ4 1-(3-methoxyphenyl)methanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.70 Å R-free 0.189 |
| 3RXE Crystal structure of Trypsin complexed with benzamide 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 3 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.70 Å R-free 0.185 |
| 3RXF Crystal structure of Trypsin complexed with 4-aminopyridine 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 3 DMS DIMETHYL SULFOXIDE × 3 4AP 4-AMINOPYRIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.70 Å R-free 0.180 |
| 3RXG Crystal structure of Trypsin complexed with 4-aminocyclohexanol 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 3 DMS DIMETHYL SULFOXIDE × 3 SZ3 trans-4-aminocyclohexanol × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.70 Å R-free 0.195 |
| 3RXH Crystal structure of Trypsin complexed with 2-(1H-imidazol-4-yl)ethanamine 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 3 DMS DIMETHYL SULFOXIDE × 2 HSM HISTAMINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.70 Å R-free 0.184 |
| 3RXI Crystal structure of Trypsin complexed with 2-(1H-indol-3-yl)ethanamine 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 2 TSS 2-(1H-INDOL-3-YL)ETHANAMINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.60 Å R-free 0.180 |
| 3RXJ Crystal structure of Trypsin complexed with 4-guanidinobenzoic acid 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 3 DMS DIMETHYL SULFOXIDE × 4 GBS 4-carbamimidamidobenzoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.70 Å R-free 0.183 |
| 3RXK Crystal structure of Trypsin complexed with methyl 4-amino-1-methyl-pyrrolidine-2-carboxylate 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 3 SZ8 methyl (4R)-4-amino-1-methyl-L-prolinate × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.60 Å R-free 0.190 |
| 3RXL Crystal structure of Trypsin complexed with (2,5-dimethyl-3-furyl)methanamine 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 2 SZ9 1-(2,5-dimethylfuran-3-yl)methanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.70 Å R-free 0.177 |
| 3RXM Crystal structure of Trypsin complexed with [2-(2-thienyl)thiazol-4-yl]methanamine 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 4 SW1 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.70 Å R-free 0.185 |
| 3RXO Crystal structure of Trypsin complexed with (3-pyrrol-1-ylphenyl)methanamine 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 2 SW2 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.60 Å R-free 0.182 |
| 3RXP Crystal structure of Trypsin complexed with (1,5-dimethylpyrazol-3-yl)methanamine 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 3 SW3 1-(1,5-dimethyl-1H-pyrazol-3-yl)methanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.60 Å R-free 0.196 |
| 3RXQ Crystal structure of Trypsin complexed with benzamide (F01 and F05, cocktail experiment) 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 DMS DIMETHYL SULFOXIDE × 5 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.68 Å R-free 0.182 |
| 3RXR Crystal structure of Trypsin complexed with cycloheptanamine (F01 and F03, cocktail experiment) 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 DMS DIMETHYL SULFOXIDE × 5 SZ1 cycloheptanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.72 Å R-free 0.179 |
| 3RXS Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamine (F04 and A06, cocktail experiment) 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 DMS DIMETHYL SULFOXIDE × 4 SZ4 1-(3-methoxyphenyl)methanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.74 Å R-free 0.178 |
| 3RXT Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamin (F04 and F03, cocktail experiment) 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 DMS DIMETHYL SULFOXIDE × 4 SZ4 1-(3-methoxyphenyl)methanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.70 Å R-free 0.201 |
| 3RXU Crystal structure of Trypsin complexed with benzamide (F05 and A06, cocktail experiment) 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 DMS DIMETHYL SULFOXIDE × 4 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.68 Å R-free 0.185 |
| 3RXV Crystal structure of Trypsin complexed with benzamide (F05 and F03, cocktail experiment) 提交 2011-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 DMS DIMETHYL SULFOXIDE × 3 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.70 Å R-free 0.187 |
| 3T25 TMAO-grown orthorhombic trypsin (bovine) 提交 2011-07-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 BEN BENZAMIDINE × 1 TMO trimethylamine oxide × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；40 mg/mL protein in 50 mM benzamidine, 2 M TMAO, 0.2 M AmSO4, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
分辨率 1.70 Å R-free 0.188 |
| 3T26 Orthorhombic trypsin (bovine) in the presence of sarcosine 提交 2011-07-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SAR SARCOSINE × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；40 mg/mL protein in water, 25% (w/v) P8K, 0.2 M AmSO4, 0.1 M benzamidine, 0.1 M Tris, pH 8.0, Soaked in 4 M sarcosine, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.70 Å R-free 0.187 |
| 3T27 Orthorhombic trypsin (bovine) in the presence of betaine 提交 2011-07-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 BEN BENZAMIDINE × 1 BET TRIMETHYL GLYCINE × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8；298 K；40 mg/mL protein in water, 25% (w/v) P8K, 0.2 M AmSO4, 0.1 M benzamidine, 0.1 M Tris, pH 8.0, Soaked in 4 M betaine, VAPOR DIFFUSION, temperature 298K
|
分辨率 1.95 Å R-free 0.191 |
| 3T28 TMAO-grown trypsin (bovine)-previously unreported tetragonal crystal form 提交 2011-07-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 TMO trimethylamine oxide × 5 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；40 mg/mL protein in 50 mM benzamidine, 3.75 M TMAO, 0.2 M AmSO4, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.80 Å R-free 0.248 |
| 3T29 TMAO-grown trigonal trypsin (bovine) 提交 2011-07-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 TMO trimethylamine oxide × 7 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 10；298 K；40 mg/mL protein in 50 mM benzamidine, 3 M TMAO, 0.2 M LiNO3, 0.1 M boric acid, pH 10.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
分辨率 1.75 Å R-free 0.190 |
| 3TPI THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS 提交 1982-09-27 | 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 Z
15–243（229 aa）
|
未记录 | ILE ISOLEUCINE × 1 VAL VALINE × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å |
| 3TPI THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS 提交 1982-09-27 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 Z
15–243（229 aa）
|
未记录 | ILE ISOLEUCINE × 4 VAL VALINE × 4 CA CALCIUM ION × 4 SO4 SULFATE ION × 8 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å |
| 3TPI THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS 提交 1982-09-27 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 Z
15–243（229 aa）
|
未记录 | ILE ISOLEUCINE × 2 VAL VALINE × 2 CA CALCIUM ION × 2 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å |
| 3TPI THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS 提交 1982-09-27 | Assembly 4 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 Z
15–243（229 aa）
|
未记录 | ILE ISOLEUCINE × 1 VAL VALINE × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å |
| 3UNQ Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor 提交 2011-11-16 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：Bovine Cationic Trypsin
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178Y, S195A, V228F | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.2M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.62 Å R-free 0.196 |
| 3UNS Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor 提交 2011-11-16 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178Y, S195A, V228F | CA CALCIUM ION × 1 ANH METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；20% PEG8000, 0.1M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.80 Å R-free 0.228 |
| 3UOP Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor 提交 2011-11-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178Y, S195A, V228F | CA CALCIUM ION × 1 PMJ N~2~-(benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)glycinamide × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 3 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；20% PEG8000, 0.1M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.69 Å R-free 0.220 |
| 3UPE Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor 提交 2011-11-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178Y, S195A, V228F | CA CALCIUM ION × 1 0CA 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；20% PEG8000, 0.1M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.54 Å R-free 0.219 |
| 3UQO Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor 提交 2011-11-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178Y, S195A, V228F | CA CALCIUM ION × 1 3YH 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；20% PEG8000, 0.1M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.80 Å R-free 0.256 |
| 3UQV Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor 提交 2011-11-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178Y, S195A, V228F | CA CALCIUM ION × 1 3YH 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide × 1 SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；30% PEG8000, 0.2M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 2.40 Å R-free 0.255 |
| 3UUZ Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor 提交 2011-11-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178Y, S195A, V228F | CA CALCIUM ION × 1 0CB {[(7-carbamimidoylnaphthalen-2-yl)methyl][4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]sulfamoyl}acetic acid × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；20% PEG8000, 0.1M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.10 Å R-free 0.200 |
| 3UUZ Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor 提交 2011-11-29 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
24–246（223 aa）
|
突变：N102E, L104Y, Y175S, P176S, G177F, Q178Y, S195A, V228F | CA CALCIUM ION × 1 0CB {[(7-carbamimidoylnaphthalen-2-yl)methyl][4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]sulfamoyl}acetic acid × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；20% PEG8000, 0.1M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.10 Å R-free 0.200 |
| 3UWI Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 1 ANH METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；20% PEG8000, 0.1M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.43 Å R-free 0.171 |
| 3UY9 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.3M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 3.22 Å R-free 0.261 |
| 3UY9 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-06 | Assembly 10 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 J
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.3M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 3.22 Å R-free 0.261 |
| 3UY9 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-06 | Assembly 11 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 K
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.3M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 3.22 Å R-free 0.261 |
| 3UY9 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-06 | Assembly 12 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 L
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.3M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 3.22 Å R-free 0.261 |
| 3UY9 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-06 | Assembly 13 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 M
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.3M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 3.22 Å R-free 0.261 |
| 3UY9 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-06 | Assembly 14 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 N
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.3M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 3.22 Å R-free 0.261 |
| 3UY9 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-06 | Assembly 15 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 O
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.3M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 3.22 Å R-free 0.261 |
| 3UY9 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-06 | Assembly 16 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 P
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.3M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 3.22 Å R-free 0.261 |
| 3UY9 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-06 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.3M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 3.22 Å R-free 0.261 |
| 3UY9 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-06 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.3M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 3.22 Å R-free 0.261 |
| 3UY9 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-06 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.3M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 3.22 Å R-free 0.261 |
| 3UY9 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-06 | Assembly 5 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 E
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.3M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 3.22 Å R-free 0.261 |
| 3UY9 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-06 | Assembly 6 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 F
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.3M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 3.22 Å R-free 0.261 |
| 3UY9 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-06 | Assembly 7 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 G
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.3M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 3.22 Å R-free 0.261 |
| 3UY9 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-06 | Assembly 8 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 H
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.3M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 3.22 Å R-free 0.261 |
| 3UY9 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-06 | Assembly 9 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 I
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% PEG8000, 0.3M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 3.22 Å R-free 0.261 |
| 3V0X Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F 非标准单体：是（mmCIF未提供具体位点） | CA CALCIUM ION × 1 ANH METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；20% PEG8000, 0.1M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.90 Å R-free 0.207 |
| 3V12 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 PMJ N~2~-(benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)glycinamide × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；30% PEG8000, 0.2M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.80 Å R-free 0.236 |
| 3V13 Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 提交 2011-12-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
突变：N102E, L104Y, Y175S P176S, G177F, Q178Y, S195A, S218E, V228F | CA CALCIUM ION × 1 3YH 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide × 1 SO4 SULFATE ION × 3 IMD IMIDAZOLE × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；20% PEG8000, 0.2M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.63 Å R-free 0.175 |
| 3VEQ A binary complex betwwen bovine pancreatic trypsin and a engineered mutant trypsin inhibitor 提交 2012-01-09 | 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
24–246（223 aa）
|
突变：I118V, S199A | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.25 Å R-free 0.274 |
| 3VPK Crystal Structure of 6-Guanidinohexanoyl Trypsin 提交 2012-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | GHS 6-carbamimidamidohexanoic acid × 1 CA CALCIUM ION × 1 E4B ethyl 4-hydroxybenzoate × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；protein solution: 20mg/mL trypsin, 400mM benzamidine, 6.80mM calcium dichloride, 0.1M HEPES, pH 7.2, reservoir solution: 2.8M ammonium sulfate, 0.1M HEPES, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.94 Å R-free 0.217 |
| 4AB8 Fragments bound to bovine trypsin for the SAMPL challenge 提交 2011-12-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 5 VXU 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.8；22.5% PEG 3350, 0.18 M AMMONIUM SULFATE, 0.12 M SODIUM THIOCYANATE, 0.09 M BIS-TRIS PH 5.5, 0.01 M TRIS PH 8.5 (FINAL MEASURED PH=5.82). THE PROTEIN WAS AT 2 MM (47 MG/ML), WITH 4 MM BENZYLAMINE AND 10 MM CALCIUM CHLORIDE ADDED TO STABILIZE IT. THE CRYSTALLIZATIONS WERE SET UP WITH A PHOENITO PROTOCOL (NEWMAN ET AL. 2008), WHERE A PHOENIX ROBOT (ART ROBBINS INSTRUMENTS, SUNNYSIDE, CA) WAS USED TO DISPENSE THE PROTEIN INTO AN SD2 CRYSTALLIZATION PLATE (PRE-FILLED WITH 50 ML RESERVOIR SOLUTION) AND A MOSQUITO ROBOT (TTP LABTECH, MELBOURN, UK) WAS USED TO DISPENSE THE RESERVOIR SOLUTION AND SEED STOCK OVER THE PROTEIN DROPLET.
|
分辨率 1.60 Å R-free 0.205 |
| 4AB9 Fragments bound to bovine trypsin for the SAMPL challenge 提交 2011-12-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 3 VXQ 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine × 1 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.8；22.5% PEG 3350, 0.18 M AMMONIUM SULFATE, 0.12 M SODIUM THIOCYANATE, 0.09 M BIS-TRIS PH 5.5, 0.01 M TRIS PH 8.5 (FINAL MEASURED PH=5.82). THE PROTEIN WAS AT 2 MM (47 MG/ML), WITH 4 MM BENZYLAMINE AND 10 MM CALCIUM CHLORIDE ADDED TO STABILIZE IT. THE CRYSTALLIZATIONS WERE SET UP WITH A PHOENITO PROTOCOL (NEWMAN ET AL. 2008), WHERE A PHOENIX ROBOT (ART ROBBINS INSTRUMENTS, SUNNYSIDE, CA) WAS USED TO DISPENSE THE PROTEIN INTO AN SD2 CRYSTALLIZATION PLATE (PRE-FILLED WITH 50 ML RESERVOIR SOLUTION) AND A MOSQUITO ROBOT (TTP LABTECH, MELBOURN, UK) WAS USED TO DISPENSE THE RESERVOIR SOLUTION AND SEED STOCK OVER THE PROTEIN DROPLET.
|
分辨率 1.20 Å R-free 0.162 |
| 4ABA Fragments bound to bovine trypsin for the SAMPL challenge 提交 2011-12-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 3 CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 2 SW1 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.8；22.5% PEG 3350, 0.18 M AMMONIUM SULFATE, 0.12 M SODIUM THIOCYANATE, 0.09 M BIS-TRIS PH 5.5, 0.01 M TRIS PH 8.5 (FINAL MEASURED PH=5.82). THE PROTEIN WAS AT 2 MM (47 MG/ML), WITH 4 MM BENZYLAMINE AND 10 MM CALCIUM CHLORIDE ADDED TO STABILIZE IT. THE CRYSTALLIZATIONS WERE SET UP WITH A PHOENITO PROTOCOL (NEWMAN ET AL. 2008), WHERE A PHOENIX ROBOT (ART ROBBINS INSTRUMENTS, SUNNYSIDE, CA) WAS USED TO DISPENSE THE PROTEIN INTO AN SD2 CRYSTALLIZATION PLATE (PRE-FILLED WITH 50 ML RESERVOIR SOLUTION) AND A MOSQUITO ROBOT (TTP LABTECH, MELBOURN, UK) WAS USED TO DISPENSE THE RESERVOIR SOLUTION AND SEED STOCK OVER THE PROTEIN DROPLET.
|
分辨率 1.25 Å R-free 0.161 |
| 4ABB Fragments bound to bovine trypsin for the SAMPL challenge 提交 2011-12-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 3 DMS DIMETHYL SULFOXIDE × 1 K9S 1-(1-BENZOTHIOPHEN-3-YL)METHANAMINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.8；22.5% PEG 3350, 0.18 M AMMONIUM SULFATE, 0.12 M SODIUM THIOCYANATE, 0.09 M BIS-TRIS PH 5.5, 0.01 M TRIS PH 8.5 (FINAL MEASURED PH=5.82). THE PROTEIN WAS AT 2 MM (47 MG/ML), WITH 4 MM BENZYLAMINE AND 10 MM CALCIUM CHLORIDE ADDED TO STABILIZE IT. THE CRYSTALLIZATIONS WERE SET UP WITH A PHOENITO PROTOCOL (NEWMAN ET AL. 2008), WHERE A PHOENIX ROBOT (ART ROBBINS INSTRUMENTS, SUNNYSIDE, CA) WAS USED TO DISPENSE THE PROTEIN INTO AN SD2 CRYSTALLIZATION PLATE (PRE-FILLED WITH 50 ML RESERVOIR SOLUTION) AND A MOSQUITO ROBOT (TTP LABTECH, MELBOURN, UK) WAS USED TO DISPENSE THE RESERVOIR SOLUTION AND SEED STOCK OVER THE PROTEIN DROPLET.
|
分辨率 1.25 Å R-free 0.155 |
| 4ABD Fragments bound to bovine trypsin for the SAMPL challenge 提交 2011-12-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 3 CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 2 SW2 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine × 1 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.8；22.5% PEG 3350, 0.18 M AMMONIUM SULFATE, 0.12 M SODIUM THIOCYANATE, 0.09 M BIS-TRIS PH 5.5, 0.01 M TRIS PH 8.5 (FINAL MEASURED PH=5.82). THE PROTEIN WAS AT 2 MM (47 MG/ML), WITH 4 MM BENZYLAMINE AND 10 MM CALCIUM CHLORIDE ADDED TO STABILIZE IT. THE CRYSTALLIZATIONS WERE SET UP WITH A PHOENITO PROTOCOL (NEWMAN ET AL. 2008), WHERE A PHOENIX ROBOT (ART ROBBINS INSTRUMENTS, SUNNYSIDE, CA) WAS USED TO DISPENSE THE PROTEIN INTO AN SD2 CRYSTALLIZATION PLATE (PRE-FILLED WITH 50 ML RESERVOIR SOLUTION) AND A MOSQUITO ROBOT (TTP LABTECH, MELBOURN, UK) WAS USED TO DISPENSE THE RESERVOIR SOLUTION AND SEED STOCK OVER THE PROTEIN DROPLET.
|
分辨率 1.25 Å R-free 0.165 |
| 4ABE Fragments bound to bovine trypsin for the SAMPL challenge 提交 2011-12-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 2 CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 5 913 (3-PYRAZOL-1-YLPHENYL)METHANAMINE × 1 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.8；22.5% PEG 3350, 0.18 M AMMONIUM SULFATE, 0.12 M SODIUM THIOCYANATE, 0.09 M BIS-TRIS PH 5.5, 0.01 M TRIS PH 8.5 (FINAL MEASURED PH=5.82). THE PROTEIN WAS AT 2 MM (47 MG/ML), WITH 4 MM BENZYLAMINE AND 10 MM CALCIUM CHLORIDE ADDED TO STABILIZE IT. THE CRYSTALLIZATIONS WERE SET UP WITH A PHOENITO PROTOCOL (NEWMAN ET AL. 2008), WHERE A PHOENIX ROBOT (ART ROBBINS INSTRUMENTS, SUNNYSIDE, CA) WAS USED TO DISPENSE THE PROTEIN INTO AN SD2 CRYSTALLIZATION PLATE (PRE-FILLED WITH 50 ML RESERVOIR SOLUTION) AND A MOSQUITO ROBOT (TTP LABTECH, MELBOURN, UK) WAS USED TO DISPENSE THE RESERVOIR SOLUTION AND SEED STOCK OVER THE PROTEIN DROPLET.
|
分辨率 1.30 Å R-free 0.171 |
| 4ABF Fragments bound to bovine trypsin for the SAMPL challenge 提交 2011-12-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 4 513 1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE × 1 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.8；22.5% PEG 3350, 0.18 M AMMONIUM SULFATE, 0.12 M SODIUM THIOCYANATE, 0.09 M BIS-TRIS PH 5.5, 0.01 M TRIS PH 8.5 (FINAL MEASURED PH=5.82). THE PROTEIN WAS AT 2 MM (47 MG/ML), WITH 4 MM BENZYLAMINE AND 10 MM CALCIUM CHLORIDE ADDED TO STABILIZE IT. THE CRYSTALLIZATIONS WERE SET UP WITH A PHOENITO PROTOCOL (NEWMAN ET AL. 2008), WHERE A PHOENIX ROBOT (ART ROBBINS INSTRUMENTS, SUNNYSIDE, CA) WAS USED TO DISPENSE THE PROTEIN INTO AN SD2 CRYSTALLIZATION PLATE (PRE-FILLED WITH 50 ML RESERVOIR SOLUTION) AND A MOSQUITO ROBOT (TTP LABTECH, MELBOURN, UK) WAS USED TO DISPENSE THE RESERVOIR SOLUTION AND SEED STOCK OVER THE PROTEIN DROPLET.
|
分辨率 1.30 Å R-free 0.161 |
| 4ABG Fragments bound to bovine trypsin for the SAMPL challenge 提交 2011-12-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 5 91B 1-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANAMINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.8；22.5% PEG 3350, 0.18 M AMMONIUM SULFATE, 0.12 M SODIUM THIOCYANATE, 0.09 M BIS-TRIS PH 5.5, 0.01 M TRIS PH 8.5 (FINAL MEASURED PH=5.82). THE PROTEIN WAS AT 2 MM (47 MG/ML), WITH 4 MM BENZYLAMINE AND 10 MM CALCIUM CHLORIDE ADDED TO STABILIZE IT. THE CRYSTALLIZATIONS WERE SET UP WITH A PHOENITO PROTOCOL (NEWMAN ET AL. 2008), WHERE A PHOENIX ROBOT (ART ROBBINS INSTRUMENTS, SUNNYSIDE, CA) WAS USED TO DISPENSE THE PROTEIN INTO AN SD2 CRYSTALLIZATION PLATE (PRE-FILLED WITH 50 ML RESERVOIR SOLUTION) AND A MOSQUITO ROBOT (TTP LABTECH, MELBOURN, UK) WAS USED TO DISPENSE THE RESERVOIR SOLUTION AND SEED STOCK OVER THE PROTEIN DROPLET.
|
分辨率 1.52 Å R-free 0.204 |
| 4ABH Fragments bound to bovine trypsin for the SAMPL challenge 提交 2011-12-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 2 CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 3 DMS DIMETHYL SULFOXIDE × 1 7Z3 1-(3-PYRROLIDIN-1-YLPHENYL)METHANAMINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.8；22.5% PEG 3350, 0.18 M AMMONIUM SULFATE, 0.12 M SODIUM THIOCYANATE, 0.09 M BIS-TRIS PH 5.5, 0.01 M TRIS PH 8.5 (FINAL MEASURED PH=5.82). THE PROTEIN WAS AT 2 MM (47 MG/ML), WITH 4 MM BENZYLAMINE AND 10 MM CALCIUM CHLORIDE ADDED TO STABILIZE IT. THE CRYSTALLIZATIONS WERE SET UP WITH A PHOENITO PROTOCOL (NEWMAN ET AL. 2008), WHERE A PHOENIX ROBOT (ART ROBBINS INSTRUMENTS, SUNNYSIDE, CA) WAS USED TO DISPENSE THE PROTEIN INTO AN SD2 CRYSTALLIZATION PLATE (PRE-FILLED WITH 50 ML RESERVOIR SOLUTION) AND A MOSQUITO ROBOT (TTP LABTECH, MELBOURN, UK) WAS USED TO DISPENSE THE RESERVOIR SOLUTION AND SEED STOCK OVER THE PROTEIN DROPLET.
|
分辨率 1.25 Å R-free 0.164 |
| 4ABI Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (PtA)SFTI-1(1,14), that was 1,4-disubstituted with a 1,2,3- trizol to mimic a trans amide bond 提交 2011-12-08 | 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 DMF DIMETHYLFORMAMIDE × 3 GOL GLYCEROL × 7 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
1.85 M (NH4)2SO4,50 MM TRIS PH 8.5 WITH 60 MG/ML TRYPSIN (SIGMA T1246) IN 0.3 M (NH4)2SO4, 6 MM CACL2, 0.1 M TRIS PH 8.15, 60 MM BENZAMIDINE. TO 10 UL PROTEIN SOL 0.5 UL DIMETHYLFORMAMID WAS ADDED PRIOR CRYSTAL SET UP. CRYSTALS WERE SOAKED WITH PTA-SFTI (ADDED IN LYOPHYLIZED FORM TO THE CRYSTALLIZATION DROP AFTER 2 WEEKS CRYSTAL GROWTH). TOTAL SOAKING TIME 8 DAYS.
|
分辨率 1.55 Å R-free 0.220 |
| 4ABJ Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (IcA)SFTI-1(1,14), that was 1,5-disubstituted with 1,2,3- trizol to mimic a cis amide bond 提交 2011-12-08 | 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 DMF DIMETHYLFORMAMIDE × 1 GOL GLYCEROL × 4 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
2.0 M (NH4)2SO4,50 MM TRIS PH 8.5 WITH 30 MG/ML TRYPSIN (SIDMA T1246) IN 0.3 M (NH4)2SO4, 6 MM CACL2, 0.1 M TRIS PH 8.15, 60 MM BENZAMIDINE) TO 10 UL PROTEIN SOL 0.5 UL DIMETHYLFORMAMID WAS ADDED PRIOR CRYSTAL SET UP CRYSTALS WERE SOAKED WITH ICA-SFTI (ADDED IN LYOPHYLIZED FORM TO THE CRYSTALLIZATION DROP AFTER 2 WEEKS). TOTAL SOAKING TIME 8 DAYS.
|
分辨率 1.45 Å R-free 0.204 |
| 4AOQ Cationic trypsin in complex with mutated Spinacia oleracea trypsin inhibitor III (SOTI-III) (F14A) 提交 2012-03-29 | 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；292 K；TRYPSIN (SIGMA T1426) WAS DISOLVED IN 1 MM HCL (PH 2.0), 10 MM CACL2, PURIFIED ON A SUPERDEX 75 16/60 COLUMN (BUFFER: 25 MM MES PH 5.5, 50 MM NACL AND 10 MM CACL2). CRYSTALS GREW FROM EQUAL VOLUMES OF TRYPSIN (11.5 MG/ML) INCUBATED WITH LYOPHILIZED SOTI-III F14A (1.5MM) AND PRECIPITANT SOLUTION (0.1M BICINE PH 9, 20% (W/V) PEG 6000) IN HANGING DROP CRYSTALLIZATION PLATES AT 19C.
|
分辨率 2.00 Å R-free 0.220 |
| 4AOQ Cationic trypsin in complex with mutated Spinacia oleracea trypsin inhibitor III (SOTI-III) (F14A) 提交 2012-03-29 | Assembly 2 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 1PE PENTAETHYLENE GLYCOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；292 K；TRYPSIN (SIGMA T1426) WAS DISOLVED IN 1 MM HCL (PH 2.0), 10 MM CACL2, PURIFIED ON A SUPERDEX 75 16/60 COLUMN (BUFFER: 25 MM MES PH 5.5, 50 MM NACL AND 10 MM CACL2). CRYSTALS GREW FROM EQUAL VOLUMES OF TRYPSIN (11.5 MG/ML) INCUBATED WITH LYOPHILIZED SOTI-III F14A (1.5MM) AND PRECIPITANT SOLUTION (0.1M BICINE PH 9, 20% (W/V) PEG 6000) IN HANGING DROP CRYSTALLIZATION PLATES AT 19C.
|
分辨率 2.00 Å R-free 0.220 |
| 4AOQ Cationic trypsin in complex with mutated Spinacia oleracea trypsin inhibitor III (SOTI-III) (F14A) 提交 2012-03-29 | Assembly 3 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 C
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；292 K；TRYPSIN (SIGMA T1426) WAS DISOLVED IN 1 MM HCL (PH 2.0), 10 MM CACL2, PURIFIED ON A SUPERDEX 75 16/60 COLUMN (BUFFER: 25 MM MES PH 5.5, 50 MM NACL AND 10 MM CACL2). CRYSTALS GREW FROM EQUAL VOLUMES OF TRYPSIN (11.5 MG/ML) INCUBATED WITH LYOPHILIZED SOTI-III F14A (1.5MM) AND PRECIPITANT SOLUTION (0.1M BICINE PH 9, 20% (W/V) PEG 6000) IN HANGING DROP CRYSTALLIZATION PLATES AT 19C.
|
分辨率 2.00 Å R-free 0.220 |
| 4AOR Cationic trypsin in complex with the Spinacia oleracea trypsin inhibitor III (SOTI-III) 提交 2012-03-29 | 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
24–246（223 aa）
|
未记录 | GOL GLYCEROL × 4 CL CHLORIDE ION × 2 IMD IMIDAZOLE × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；292 K；TRYPSIN (SIGMA T1426) WAS DUSIKVED UB 1MM HCL (PH 2.0), 10 MM CACL2, PURIFIED ON A SUPERDEX 75 16/60 COLUMN (BUFFER: 25 MM MES PH 5.5, 50 MM NACL AND 10 MM CACL2). CRYSTALS GREW FROM EQUAL VOL. OF TRYPSIN (11.5 MG/ML) INCUBATED WITH LYOPHILIZED SOTI-III (2.5 MM) AND PRECIPITANT SOLUTION (0.1 M IMIDAZOLE PH 7.5, 12 % (W/V) PEG 8K) IN HANGING DROP CRYSTALLIZATION PLATES AT 19C.
|
分辨率 1.70 Å R-free 0.221 |
| 4AOR Cationic trypsin in complex with the Spinacia oleracea trypsin inhibitor III (SOTI-III) 提交 2012-03-29 | Assembly 2 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
24–246（223 aa）
|
未记录 | GOL GLYCEROL × 1 IMD IMIDAZOLE × 4 CA CALCIUM ION × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；292 K；TRYPSIN (SIGMA T1426) WAS DUSIKVED UB 1MM HCL (PH 2.0), 10 MM CACL2, PURIFIED ON A SUPERDEX 75 16/60 COLUMN (BUFFER: 25 MM MES PH 5.5, 50 MM NACL AND 10 MM CACL2). CRYSTALS GREW FROM EQUAL VOL. OF TRYPSIN (11.5 MG/ML) INCUBATED WITH LYOPHILIZED SOTI-III (2.5 MM) AND PRECIPITANT SOLUTION (0.1 M IMIDAZOLE PH 7.5, 12 % (W/V) PEG 8K) IN HANGING DROP CRYSTALLIZATION PLATES AT 19C.
|
分辨率 1.70 Å R-free 0.221 |
| 4AOR Cationic trypsin in complex with the Spinacia oleracea trypsin inhibitor III (SOTI-III) 提交 2012-03-29 | Assembly 3 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 C
24–246（223 aa）
|
未记录 | GOL GLYCEROL × 1 IMD IMIDAZOLE × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；292 K；TRYPSIN (SIGMA T1426) WAS DUSIKVED UB 1MM HCL (PH 2.0), 10 MM CACL2, PURIFIED ON A SUPERDEX 75 16/60 COLUMN (BUFFER: 25 MM MES PH 5.5, 50 MM NACL AND 10 MM CACL2). CRYSTALS GREW FROM EQUAL VOL. OF TRYPSIN (11.5 MG/ML) INCUBATED WITH LYOPHILIZED SOTI-III (2.5 MM) AND PRECIPITANT SOLUTION (0.1 M IMIDAZOLE PH 7.5, 12 % (W/V) PEG 8K) IN HANGING DROP CRYSTALLIZATION PLATES AT 19C.
|
分辨率 1.70 Å R-free 0.221 |
| 4B1T Structure of the factor Xa-like trypsin variant triple-Ala (TA) in complex with eglin C 提交 2012-07-12 | 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
24–246（223 aa）
|
突变：YES | CA CALCIUM ION × 1 GOL GLYCEROL × 4 EDO 1,2-ETHANEDIOL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
283 K；18% (W/V) PEG 10,000, 20% (V/V) GLYCEROL, 100 MM TRIS-HCL PH 8.5 AND 100 MM NACL AT 283 K
|
分辨率 1.78 Å R-free 0.219 |
| 4B1T Structure of the factor Xa-like trypsin variant triple-Ala (TA) in complex with eglin C 提交 2012-07-12 | Assembly 2 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 C
24–246（223 aa）
|
突变：YES | CA CALCIUM ION × 1 GOL GLYCEROL × 4 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
283 K；18% (W/V) PEG 10,000, 20% (V/V) GLYCEROL, 100 MM TRIS-HCL PH 8.5 AND 100 MM NACL AT 283 K
|
分辨率 1.78 Å R-free 0.219 |
| 4B2A Structure of the factor Xa-like trypsin variant triple-Ala (TGA) in complex with eglin C 提交 2012-07-13 | 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
24–246（223 aa）
|
突变：YES | CA CALCIUM ION × 1 GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
283 K；18% (W/V) PEG 10,000, 20% (V/V) GLYCEROL, 100 MM TRIS-HCL PH 8.5 AND 100 MM NACL AT 283 K
|
分辨率 1.89 Å R-free 0.259 |
| 4B2A Structure of the factor Xa-like trypsin variant triple-Ala (TGA) in complex with eglin C 提交 2012-07-13 | Assembly 2 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 C
24–246（223 aa）
|
突变：YES | CA CALCIUM ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
283 K；18% (W/V) PEG 10,000, 20% (V/V) GLYCEROL, 100 MM TRIS-HCL PH 8.5 AND 100 MM NACL AT 283 K
|
分辨率 1.89 Å R-free 0.259 |
| 4B2B Structure of the factor Xa-like trypsin variant triple-Ala (TGPA) in complex with eglin C 提交 2012-07-13 | 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
24–246（223 aa）
|
突变：YES | CA CALCIUM ION × 1 GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 2 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
283 K；18% (W/V) PEG 10,000, 20% (V/V) GLYCEROL, 100 MM TRIS-HCL PH 9.0 AND 100 MM NACL AT 283 K
|
分辨率 1.36 Å R-free 0.204 |
| 4B2B Structure of the factor Xa-like trypsin variant triple-Ala (TGPA) in complex with eglin C 提交 2012-07-13 | Assembly 2 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 C
24–246（223 aa）
|
突变：YES | CA CALCIUM ION × 1 GOL GLYCEROL × 6 EDO 1,2-ETHANEDIOL × 2 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
283 K；18% (W/V) PEG 10,000, 20% (V/V) GLYCEROL, 100 MM TRIS-HCL PH 9.0 AND 100 MM NACL AT 283 K
|
分辨率 1.36 Å R-free 0.204 |
| 4B2C Structure of the factor Xa-like trypsin variant triple-Ala (TPA) in complex with eglin C 提交 2012-07-13 | 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
24–246（223 aa）
|
突变：YES | CA CALCIUM ION × 1 GOL GLYCEROL × 11 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
283 K；18% (W/V) PEG 10,000, 20% (V/V) GLYCEROL, 100 MM TRIS-HCL PH 8.5 AND 100 MM NACL AT 283 K
|
分辨率 1.43 Å R-free 0.182 |
| 4B2C Structure of the factor Xa-like trypsin variant triple-Ala (TPA) in complex with eglin C 提交 2012-07-13 | Assembly 2 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 C
24–246（223 aa）
|
突变：YES | CA CALCIUM ION × 1 GOL GLYCEROL × 9 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
283 K；18% (W/V) PEG 10,000, 20% (V/V) GLYCEROL, 100 MM TRIS-HCL PH 8.5 AND 100 MM NACL AT 283 K
|
分辨率 1.43 Å R-free 0.182 |
| 4GUX Crystal structure of trypsin:MCoTi-II complex 提交 2012-08-30 | 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
1–246（246 aa）
|
未记录 | CA CALCIUM ION × 1 ACT ACETATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；28% PEG3350, 0.24M ammonium acetate, 0.1M BisTris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 1.80 Å R-free 0.194 |
| 4GUX Crystal structure of trypsin:MCoTi-II complex 提交 2012-08-30 | Assembly 2 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
1–246（246 aa）
|
未记录 | CA CALCIUM ION × 1 ACT ACETATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；28% PEG3350, 0.24M ammonium acetate, 0.1M BisTris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 1.80 Å R-free 0.194 |
| 4GUX Crystal structure of trypsin:MCoTi-II complex 提交 2012-08-30 | Assembly 3 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 C
1–246（246 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；28% PEG3350, 0.24M ammonium acetate, 0.1M BisTris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 1.80 Å R-free 0.194 |
| 4HGC Crystal structure of bovine trypsin complexed with sfti-1 analog containing a peptoid residue at position p1 提交 2012-10-08 | 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
24–246（223 aa）
片段：unp residues 24-246
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 5 SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；292 K；2.3 M ammonium sulphate, 1 mM benzamidine and 0.1 M Mes, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
|
分辨率 1.29 Å R-free 0.157 |
| 4I8G Bovine trypsin at 0.8 resolution 提交 2012-12-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；protein solution- 30 mg/ml trypsin, 5mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution- 20% PEG 8000, 200 mM (NH4)2SO4, 100 mM cacodylate buffer pH 6.5 and 15% glycerol. 1:1 ratio drops, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 0.80 Å R-free 0.120 |
| 4I8H Bovine trypsin at 0.75 resolution 提交 2012-12-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；protein solution: 30 mg/ml trypsin, 5mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution: 20% PEG 8000, 200 mM (NH4)2SO4, 100 mM cacodylate buffer pH 6.5 and 15% glycerol. 1:1 ratio drops, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 0.75 Å R-free 0.111 |
| 4I8J Bovine trypsin at 0.87 A resolution 提交 2012-12-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；protein solution: 30 mg/ml trypsin, 5mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution: 20% PEG 8000, 200 mM (NH4)2SO4, 100 mM cacodylate buffer pH 6.5 and 15% glycerol. 1:1 ratio drops, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 0.87 Å R-free 0.120 |
| 4I8K Bovine trypsin at 0.85 resolution 提交 2012-12-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；protein solution: 30 mg/ml trypsin, 5mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution: 20% PEG 8000, 200 mM (NH4)2SO4, 100 mM cacodylate buffer pH 6.5 and 15% glycerol. 1:1 ratio drops, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 0.85 Å R-free 0.111 |
| 4I8L Bovine trypsin at 0.87 resolution 提交 2012-12-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；protein solution: 30 mg/ml trypsin, 5mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution: 20% PEG 8000, 200 mM (NH4)2SO4, 100 mM cacodylate buffer pH 6.5 and 15% glycerol. 1:1 ratio drops, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 0.87 Å R-free 0.117 |
| 4J2Y Crystal structure of a plant trypsin inhibitor EcTI in complex with bovine trypsin. 提交 2013-02-05 | 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
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M ammonium sulfate, 0.1 M Tris pH7.5, 30% PEG1500, 0.2 M LiCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.00 Å R-free 0.258 |
| 4KTS Bovine trypsin in complex with microviridin J at pH 8.5 提交 2013-05-21 | 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.1 M Tris, 0.2 M lithium sulfate, 25% PEG 3350
, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 1.30 Å R-free 0.128 |
| 4KTU Bovine trypsin in complex with microviridin J at pH 6.5 提交 2013-05-21 | 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M sodium cacodylate, 0.2 M ammonium sulfate, 30% PEG 8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 1.35 Å R-free 0.160 |
| 4MTB Bovine trypsin in complex with small molecule inhibitor 提交 2013-09-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BZY (2R)-2-amino-N-{(2S)-1-[(4-carbamimidoylbenzyl)amino]-1-oxopropan-2-yl}-4-(4-hydroxyphenyl)butanamide × 1 IMD IMIDAZOLE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；289 K；0.1M Ammonium phosphate, 20% PEG 8000, 0.1 M Imidazol, 0.1% Sodium azide, 10 mM Calcium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
分辨率 1.22 Å R-free 0.164 |
| 4NCY In situ trypsin crystallized on a MiTeGen micromesh with imidazole ligand 提交 2013-10-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：UNP residues 24-246
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 EDO 1,2-ETHANEDIOL × 6 SO4 SULFATE ION × 5 IMD IMIDAZOLE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
In situ crystallization on micromesh；pH 7；277 K；30mg/ml+10mg/ml Benzenmidine in 20mM HEPES pH 7 and 10mM CaCl2; precipitant is 20% PEG 8000 + 200mM AmSO4 + 100mM Bis-Tris, In situ crystallization on micromesh, temperature 277K
|
分辨率 1.42 Å R-free 0.138 |
| 4NIV Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) trigonal form 提交 2013-11-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：UNP residues 24-246
|
突变：K60E, N143H, Y151H, D189K | CA CALCIUM ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.1 M HEPES/NaOH, 20% (w/v) polyethyleneglycol 4000, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.00 Å R-free 0.173 |
| 4NIW Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) orthorhombic form 提交 2013-11-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：UNP residues 24-246
|
突变：K60E, N143H, Y151H, D189K | CA CALCIUM ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1 M Tris/HCl, 0.2 M Li2SO4, 20% (w/v) polyethyleneglycol 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.31 Å R-free 0.155 |
| 4NIX Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) orthorhombic form, zinc-bound 提交 2013-11-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：UNP residues 24-246
|
突变：K60E, N143H, Y151H, D189K | CA CALCIUM ION × 1 GOL GLYCEROL × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1 M Tris/HCl, 0.2 M Li2SO4, 20% (w/v) polyethyleneglycol 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.30 Å R-free 0.157 |
| 4NIY Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) complexed to YRH-ecotin (M84Y/M85R/A86H ecotin) 提交 2013-11-08 | 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
24–246（223 aa）
片段：UNP residues 24-246
|
突变：K60E, N143H, Y151H, D189K | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.3 M sodium acetate, 0.1 M Tris/HCl, 10 mM CaCl2, 20% (w/v) polyethyleneglycol 4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.84 Å R-free 0.252 |
| 4NIY Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) complexed to YRH-ecotin (M84Y/M85R/A86H ecotin) 提交 2013-11-08 | Assembly 2 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
24–246（223 aa）
片段：UNP residues 24-246
|
突变：K60E, N143H, Y151H, D189K | CA CALCIUM ION × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.3 M sodium acetate, 0.1 M Tris/HCl, 10 mM CaCl2, 20% (w/v) polyethyleneglycol 4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.84 Å R-free 0.252 |
| 4NIY Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) complexed to YRH-ecotin (M84Y/M85R/A86H ecotin) 提交 2013-11-08 | Assembly 3 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 C
24–246（223 aa）
片段：UNP residues 24-246
|
突变：K60E, N143H, Y151H, D189K | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.3 M sodium acetate, 0.1 M Tris/HCl, 10 mM CaCl2, 20% (w/v) polyethyleneglycol 4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.84 Å R-free 0.252 |
| 4NIY Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) complexed to YRH-ecotin (M84Y/M85R/A86H ecotin) 提交 2013-11-08 | Assembly 4 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 D
24–246（223 aa）
片段：UNP residues 24-246
|
突变：K60E, N143H, Y151H, D189K | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.3 M sodium acetate, 0.1 M Tris/HCl, 10 mM CaCl2, 20% (w/v) polyethyleneglycol 4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.84 Å R-free 0.252 |
| 4TPI THE REFINED 2.2-ANGSTROMS (0.22-NM) X-RAY CRYSTAL STRUCTURE OF THE TERNARY COMPLEX FORMED BY BOVINE TRYPSINOGEN, VALINE-VALINE AND THE ARG15 ANALOGUE OF BOVINE PANCREATIC TRYPSIN INHIBITOR 提交 1985-06-11 | 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 Z
15–243（229 aa）
|
未记录 | VAL VALINE × 2 CA CALCIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.20 Å |
| 4TPI THE REFINED 2.2-ANGSTROMS (0.22-NM) X-RAY CRYSTAL STRUCTURE OF THE TERNARY COMPLEX FORMED BY BOVINE TRYPSINOGEN, VALINE-VALINE AND THE ARG15 ANALOGUE OF BOVINE PANCREATIC TRYPSIN INHIBITOR 提交 1985-06-11 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 Z
15–243（229 aa）
|
未记录 | VAL VALINE × 8 CA CALCIUM ION × 4 SO4 SULFATE ION × 8 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.20 Å |
| 4TPI THE REFINED 2.2-ANGSTROMS (0.22-NM) X-RAY CRYSTAL STRUCTURE OF THE TERNARY COMPLEX FORMED BY BOVINE TRYPSINOGEN, VALINE-VALINE AND THE ARG15 ANALOGUE OF BOVINE PANCREATIC TRYPSIN INHIBITOR 提交 1985-06-11 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 Z
15–243（229 aa）
|
未记录 | VAL VALINE × 4 CA CALCIUM ION × 2 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.20 Å |
| 4TPY High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density 提交 2014-06-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 NA SODIUM ION × 6 BR BROMIDE ION × 26 BEN BENZAMIDINE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 EDO 1,2-ETHANEDIOL × 7 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7；295 K；30mg/ml trypsin and 10mg/ml benzamidine in buffer (10mM CaCl2, 20mM HEPES pH 7.0) is combined with 1x precipitant (20% PEG 8000, 20mM ammonium s., 100 mM Bis Tris pH 7.0). Vapour diffusion against 2x precipitant (40% PEG 8000, 40mM ammonium s., 200mM Bis Tris pH 7.0).
|
分辨率 1.30 Å R-free 0.172 |
| 4U2W Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin 提交 2014-07-18 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：Monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 9 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 4.6；291 K；sodium acetate trihydrate (0,1 M) at pH 4.6, amonium sulfate (0.3 M) and polyethylene glycol 8000 (30%)
|
分辨率 1.00 Å R-free 0.104 |
| 4XOJ Structure of bovine trypsin in complex with analogues of sunflower inhibitor 1 (SFTI-1) 提交 2015-01-16 | 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
1–246（246 aa）
|
未记录 | SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 7 CA CALCIUM ION × 1 NA SODIUM ION × 3 NH4 AMMONIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；298 K；sodium acetate trihydrate, PEG 8000, ammonium sulphate
|
分辨率 0.91 Å R-free 0.114 |
| 4Y0Y Trypsin in complex with with BPTI 提交 2015-02-06 | 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 E
24–246（223 aa）
片段：residues 24-246
|
未记录 | SO4 SULFATE ION × 9 GOL GLYCEROL × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；291 K；1.8 to 2.2 M ammonium sulfate
|
分辨率 1.25 Å R-free 0.155 |
| 4Y0Z Trypsin in complex with with BPTI mutant AMINOBUTYRIC ACID 提交 2015-02-06 | 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 E
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 10 CA CALCIUM ION × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；291 K；1.8 to 2.2 M ammonium sulfate
|
分辨率 1.37 Å R-free 0.156 |
| 4Y10 Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4-difluorobutanoic acid 提交 2015-02-06 | 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 E
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 9 GOL GLYCEROL × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；291 K；1.8 to 2.2 M ammonium sulfate
|
分辨率 1.37 Å R-free 0.165 |
| 4Y11 Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4,4-trifluorobutanoic acid 提交 2015-02-06 | 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 E
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 9 GOL GLYCEROL × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；291 K；1.8 to 2.2 M ammonium sulfate
|
分辨率 1.30 Å R-free 0.156 |
| 4YTA BOND LENGTH ANALYSIS OF ASP, GLU AND HIS RESIDUES IN TRYPSIN AT 1.2A RESOLUTION 提交 2015-03-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：PEPTIDASE S1 (UNP RESIDUES 24-246)
|
未记录 | GOL GLYCEROL × 4 SO4 SULFATE ION × 8 CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8；298 K；25% PEG8000, 0.2 M AMMONIUM SULFATE,
0.1 M TRIS-HCL, PH 8.0, VAPOR DIFFUSION, TEMPERATURE 298K
|
分辨率 1.20 Å R-free 0.121 |
| 5EG4 BOVINE TRYPSIN IN COMPLEX WITH CYCLIC INHIBITOR 提交 2015-10-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 ACT ACETATE ION × 1 5N7 (13S,16R)-N-(4-carbamimidoylbenzyl)-16-((N-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1, 11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；1.7 M (NH4)2SO4, 18 mM CaCl2, 50 mM Sodium acetate
|
分辨率 1.32 Å R-free 0.218 |
| 5F6M Isotropic Trypsin Model for Comparison of Diffuse Scattering 提交 2015-12-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；291 K；Lyophilized bovine pancreas trypsin was purchased from Sigma-Aldrich (T1005) and dissolved at a concentration of 30 mg/mL into 30mM HEPES pH 7.0, 5 mg/mL benzamidine and 3mM CaCl2. Crystals were obtained from a solution of 200mM Ammonium sulfate, 100mM Na cacodylate pH 6.5, 20% PEG 8000 and 15% glycerol.
|
分辨率 1.10 Å R-free 0.154 |
| 5FXL Structure of trypsin solved by MR from data collected by Direct Data Collection (DDC) using the ESRF RoboDiff goniometer 提交 2016-03-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–246（246 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 3 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.78 Å R-free 0.210 |
| 5GIB Succinic acid bound trypsin crystallized as dimer 提交 2016-06-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | SIN SUCCINIC ACID × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；15% PEG3350, 0.1 M Sodium acetate, 0.1 M Succinic acid
|
分辨率 2.70 Å R-free 0.286 |
| 5GIB Succinic acid bound trypsin crystallized as dimer 提交 2016-06-22 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；15% PEG3350, 0.1 M Sodium acetate, 0.1 M Succinic acid
|
分辨率 2.70 Å R-free 0.286 |
| 5GXP Cationic Trypsin With GOL/PGE as Dimer at pH 4.6 提交 2016-09-19 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
24–246（223 aa）
链 B
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 12 PGE TRIETHYLENE GLYCOL × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1 M Calcium chloride dihydrate, 0.1 M Sodium acetate pH 4.6, 30% Glycerol, 15% Ethylene glycol
|
分辨率 2.80 Å R-free 0.309 |
| 5JYI Trypsin bound with succinic acid at 1.9A 提交 2016-05-14 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–246（246 aa）
|
未记录 | CA CALCIUM ION × 1 SIN SUCCINIC ACID × 1 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 5.5；298.15 K；0.1M Succinic acid,0.1M Sodium Acetate ph 5.8,15%(w/v) PEG3350
|
分辨率 1.91 Å R-free 0.201 |
| 5K7R MicroED structure of trypsin at 1.7 A resolution 提交 2016-05-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 2 | ELECTRON CRYSTALLOGRAPHY |
cryo-EM缓冲液
pH 6.5
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 1.70 Å R-free 0.281 |
| 5LGO Trypsin inhibitors for the treatment of pancreatitis - cpd 15 提交 2016-07-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 1 CA CALCIUM ION × 1 6VZ (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidin-7-yl]-~{N}-methyl-pyrrolidine-2-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；298 K；Crystallization Reservoir Solution = 25% PEG3350, 0.2 M LISO4, 100 mM Bis-Tris pH 6.5
Crystallization Protein Solution = 60 mg/ml in 1 mM HCl, 10 mM CaCl2.
Complex Formation Method = Soaking
Crystallization Protocol = equal volumes (0.3ul+0.3ul)
Crystallization Method = Vapor diffusion - Hanging drop
Crystallization Temperature = 298.0
Cryo Protocol = The crystal was directly flash cooled in the nitrogen gas stream at 100 Kelvin.
Crystal from cocrystallization soaked in 1 mM cpd 15 (in DMSO) overnight.
|
分辨率 1.12 Å R-free 0.197 |
| 5LH4 Trypsin inhibitors for the treatment of pancreatitis - cpd 1 提交 2016-07-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 2 SO4 SULFATE ION × 1 CA CALCIUM ION × 1 6W4 (2~{S},4~{S})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7.5；298 K；Crystallization Reservoir Solution: 25 % PEG3350, 0.2 M LISO4, 100 MM HEPES PH 7.5
Crystallization Protein Solution: 100 MG/ML IN 50MM TRIS PH 7.5, 150MM NACL, 5 MM CACL2.
Complex Formation Method = Soaking
Crystallization Protocol = equal volumes (2ul+2um)
Crystallization Method = Vapor diffusion - Hanging drop
Cryo Protocol: prior to data collection the crystal was plunged into liquid nitrogen.
|
分辨率 1.37 Å R-free 0.179 |
| 5LH8 Trypsin inhibitors for the treatment of pancreatitis - cpd 8 提交 2016-07-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 2 CA CALCIUM ION × 1 6WH (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；25% PEG3350, 0.2 M LISO4, 100 MM HEPES PH 7.5
Crystallization Protein Solution = 100 MG/ML IN H2O.
Complex Formation Method = Soaking
Crystallization Protocol = equal volumes (2ul+2ul)
Crystallization Method = Vapor diffusion - Hanging drop
Crystallization Temperature = 298.0
Cryo Protocol = The crystal was flash frozen in liquid nitrogen
Pictures =
Remarks = SAOKING WITH cpd 8 at 10 mM for 4 hours.
|
分辨率 1.54 Å R-free 0.182 |
| 5MN1 Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 100 K) 提交 2016-12-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 2AP 2-AMINOPYRIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 17% (w/v) PEG 8000
|
分辨率 0.79 Å R-free 0.109 |
| 5MNA Cationic trypsin in complex with aniline (deuterated sample at 295 K) 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 ANL ANILINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 17% (w/v) PEG 8000
|
分辨率 1.44 Å R-free 0.172 |
| 5MNB Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 295 K) 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 2AP 2-AMINOPYRIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 15.5-16.5% (w/v) PEG 8000
|
分辨率 0.94 Å R-free 0.107 |
| 5MNC Cationic trypsin in complex with aniline (deuterated sample at 100 K) 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 5 ANL ANILINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 15% (w/v) PEG 8000
|
分辨率 0.92 Å R-free 0.122 |
| 5MNE Cationic trypsin in its apo form (deuterated sample at 100 K) 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 18-20% (w/v) PEG 8000
|
分辨率 1.01 Å R-free 0.125 |
| 5MNF Cationic trypsin in its apo form (deuterated sample at 295 K) 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 16% (w/v) PEG 8000
|
分辨率 0.99 Å R-free 0.107 |
| 5MNG Cationic trypsin in complex with benzamidine (deuterated sample at 100 K) 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 4 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 17.5% (w/v) PEG 8000
|
分辨率 0.86 Å R-free 0.109 |
| 5MNH Cationic trypsin in complex with benzamidine (deuterated sample at 295 K) 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 16.5% (w/v) PEG 8000
|
分辨率 0.93 Å R-free 0.101 |
| 5MNK Cationic trypsin in complex with benzylamine (deuterated sample at 100 K) 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 ABN BENZYLAMINE × 1 SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 15.5% (w/v) PEG 8000
|
分辨率 0.80 Å R-free 0.117 |
| 5MNL Cationic trypsin in complex with benzylamine (deuterated sample at 295 K) 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 ABN BENZYLAMINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 16-16.5% (w/v) PEG 8000
|
分辨率 1.04 Å R-free 0.105 |
| 5MNM Cationic trypsin in complex with benzylamine (at 295 K) 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 3 ABN BENZYLAMINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 15.5-16.5% (w/v) PEG 8000
|
分辨率 0.98 Å R-free 0.112 |
| 5MNN Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 100 K) 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 MRZ piperidine-1-carboximidamide × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 17.5% (w/v) PEG 8000
|
分辨率 0.86 Å R-free 0.110 |
| 5MNO Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 295 K) 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 MRZ piperidine-1-carboximidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 16-16.5% (w/v) PEG 8000
|
分辨率 0.96 Å R-free 0.106 |
| 5MNP Cationic trypsin in complex with N-amidinopiperidine (at 295 K) 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 3 MRZ piperidine-1-carboximidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 13.7% (w/v) PEG 8000
|
分辨率 1.01 Å R-free 0.102 |
| 5MNQ Cationic trypsin in complex with a derivative of N-amidinopiperidine 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 5 J3I (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；2.0 M ammonium sulfate, 0.1 M Hepes pH 7.5
|
分辨率 1.34 Å R-free 0.171 |
| 5MNX Neutron structure of cationic trypsin in complex with 2-aminopyridine 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 2AP 2-AMINOPYRIDINE × 1 | NEUTRON DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 16% (w/v) PEG 8000
|
分辨率 1.42 Å R-free 0.206 |
| 5MNY Neutron structure of cationic trypsin in complex with aniline 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 WOT phenylazanium × 1 | NEUTRON DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 16.5% (w/v) PEG 8000
|
分辨率 1.43 Å R-free 0.193 |
| 5MNZ Neutron structure of cationic trypsin in its apo form 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 | NEUTRON DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 16% (w/v) PEG 8000
|
分辨率 1.45 Å R-free 0.201 |
| 5MO0 Neutron structure of cationic trypsin in complex with benzamidine 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | NEUTRON DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 13% (w/v) PEG 8000
|
分辨率 1.50 Å R-free 0.185 |
| 5MO1 Neutron structure of cationic trypsin in complex with benzylamine 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 UFZ (phenylmethyl)azanium × 1 | NEUTRON DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 15% (w/v) PEG 8000
|
分辨率 1.49 Å R-free 0.216 |
| 5MO2 Neutron structure of cationic trypsin in complex with N-amidinopiperidine 提交 2016-12-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 D86 [azanyl(piperidin-1-yl)methylidene]azanium × 1 SO4 SULFATE ION × 1 | NEUTRON DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 16% (w/v) PEG 8000
|
分辨率 1.50 Å R-free 0.200 |
| 5MON Joint X-ray/neutron structure of cationic trypsin in complex with 2-aminopyridine 提交 2016-12-14 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 2AP 2-AMINOPYRIDINE × 1 SO4 SULFATE ION × 1 | 未声明 |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 15.5-16.5% (w/v) PEG 8000
|
分辨率未提供 |
| 5MOO Joint X-ray/neutron structure of cationic trypsin in complex with aniline 提交 2016-12-14 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 WOT phenylazanium × 1 SO4 SULFATE ION × 1 | 未声明 |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 16.5-17.0% (w/v) PEG 8000
|
分辨率未提供 |
| 5MOP Joint X-ray/neutron structure of cationic trypsin in its apo form 提交 2016-12-14 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 | 未声明 |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 16% (w/v) PEG 8000
|
分辨率未提供 |
| 5MOQ Joint X-ray/neutron structure of cationic trypsin in complex with benzamidine 提交 2016-12-14 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 1 | 未声明 |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 13.0-16.5% (w/v) PEG 8000
|
分辨率未提供 |
| 5MOR Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine 提交 2016-12-14 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 UFZ (phenylmethyl)azanium × 1 SO4 SULFATE ION × 3 | 未声明 |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 15.0-16.5% (w/v) PEG 8000
|
分辨率未提供 |
| 5MOS Joint X-ray/neutron structure of cationic trypsin in complex with N-amidinopiperidine 提交 2016-12-14 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 D86 [azanyl(piperidin-1-yl)methylidene]azanium × 1 SO4 SULFATE ION × 1 | 未声明 |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 16.0-16.5% (w/v) PEG 8000
|
分辨率未提供 |
| 5PTP STRUCTURE OF HYDROLASE (SERINE PROTEINASE) 提交 1997-03-31 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–243（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.34 Å |
| 5T3H bovine trypsin soaked with selenourea for 5 min 提交 2016-08-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：UNP residues 24-246
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SEY selenourea × 10 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；20% (w/v) PEG8000, 200 mM ammonium sulfate, 100 mM citrate buffer pH 6.5
|
分辨率 1.55 Å R-free 0.183 |
| 6AVL Orthorhombic Trypsin (295 K) in the presence of 50% xylose 提交 2017-09-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 1 XYP beta-D-xylopyranose × 1 XYS alpha-D-xylopyranose × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；0.1 M Tris buffer
0.2 M AmSO4
25% (w/v) PEG 8000
0.1 M benzamidine-HCl
Protein 40 mg/mL in water
|
分辨率 2.00 Å R-free 0.205 |
| 6B6N Orthorhombic trypsin (295 K) in the presence of 50% mpd 提交 2017-10-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；Well: 25% P8K, 0.2 M AmSO4, 0.1 M benzamidine Hal, 0.1 M Tris pH 8
Protein: 40 mg/mL in water
|
分辨率 2.00 Å R-free 0.157 |
| 6B6O Orthorhombic trypsin cryocooled to 100 K with 20% xylose as cryoprotectant 提交 2017-10-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 XYP beta-D-xylopyranose × 1 XYS alpha-D-xylopyranose × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；Well: 25% PEG 8K, 0.2 M AmSO4, 0.1 M benzamidine Hal, 0.1 M Tris buffer pH 8.0
Protein: 40 mg/mL in water
|
分辨率 2.40 Å R-free 0.345 |
| 6B6P Orthorhombic trypsin cryocooled to 100 K with 30% xylose as cryoprotectant 提交 2017-10-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 XYP beta-D-xylopyranose × 1 XYS alpha-D-xylopyranose × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；Well: 25% PEG 8K, 0.2 M AmSO4, 0.1 M benzamidine Hal, 0.1 M Tris buffer pH 8.0
Protein: 40 mg/mL in water
|
分辨率 2.00 Å R-free 0.171 |
| 6B6Q Orthorhombic trypsin cryocooled to 100 K with 50% xylose as cryoprotectant 提交 2017-10-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 XYP beta-D-xylopyranose × 1 XYS alpha-D-xylopyranose × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；Well: 25% PEG 8K, 0.2 M AmSO4, 0.1 M benzamidine Hal, 0.1 M Tris buffer pH 8.0
Protein: 40 mg/mL in water
|
分辨率 2.00 Å R-free 0.170 |
| 6B6R Orthorhombic trypsin cryocooled to 100 K with 50% mpd as cryoprotectant 提交 2017-10-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 3 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；Well: 25% PEG 8K, 0.2 M AmSO4, 0.1 M benzamidine Hal, 0.1 M Tris buffer pH 8.0
Protein: 40 mg/mL in water
|
分辨率 2.00 Å R-free 0.172 |
| 6B6S Orthorhombic trypsin cryocooled to 100 K with 50% ethanol as cryoprotectant 提交 2017-10-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 3 EOH ETHANOL × 11 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；Well: 25% PEG 8K, 0.2 M AmSO4, 0.1 M benzamidine Hal, 0.1 M Tris buffer pH 8.0
Protein: 40 mg/mL in water
|
分辨率 2.00 Å R-free 0.176 |
| 6B6T Orthorhombic trypsin cryocooled to 100 K with 50% methanol as cryoprotectant 提交 2017-10-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 MOH METHANOL × 20 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；Well: 25% PEG 8K, 0.2 M AmSO4, 0.1 M benzamidine Hal, 0.1 M Tris buffer pH 8.0
Protein: 40 mg/mL in water
|
分辨率 2.00 Å R-free 0.173 |
| 6BFP Bovine trypsin bound to potent inhibitor 提交 2017-10-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 DJY 3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；0.1 M Tris pH 8.0
31 % PEG 10,000
|
分辨率 1.29 Å R-free 0.141 |
| 6BVH Trypsin complexed with a modified sunflower trypsin inhibitor, SFTI-TCTR(N12,N14) 提交 2017-12-13 | 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 GOL GLYCEROL × 4 SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；50 mM MES, 50 mM benzamidine, 1mM CaCl2
|
分辨率 1.93 Å R-free 0.158 |
| 6DWF Crystal structure of complex of BBKI mutant, L55R with Bovine Trypsin 提交 2018-06-26 | 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
24–246（223 aa）
片段：residues 24-246
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.6M Ammonium Sulfate, 0.1M Sodium Citrate at pH 4.2
|
分辨率 1.94 Å R-free 0.223 |
| 6DWF Crystal structure of complex of BBKI mutant, L55R with Bovine Trypsin 提交 2018-06-26 | Assembly 2 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
24–246（223 aa）
片段：residues 24-246
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.6M Ammonium Sulfate, 0.1M Sodium Citrate at pH 4.2
|
分辨率 1.94 Å R-free 0.223 |
| 6DWF Crystal structure of complex of BBKI mutant, L55R with Bovine Trypsin 提交 2018-06-26 | Assembly 3 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 C
24–246（223 aa）
片段：residues 24-246
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.6M Ammonium Sulfate, 0.1M Sodium Citrate at pH 4.2
|
分辨率 1.94 Å R-free 0.223 |
| 6DWF Crystal structure of complex of BBKI mutant, L55R with Bovine Trypsin 提交 2018-06-26 | Assembly 4 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 D
24–246（223 aa）
片段：residues 24-246
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.6M Ammonium Sulfate, 0.1M Sodium Citrate at pH 4.2
|
分辨率 1.94 Å R-free 0.223 |
| 6DWF Crystal structure of complex of BBKI mutant, L55R with Bovine Trypsin 提交 2018-06-26 | Assembly 5 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 E
24–246（223 aa）
片段：residues 24-246
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.6M Ammonium Sulfate, 0.1M Sodium Citrate at pH 4.2
|
分辨率 1.94 Å R-free 0.223 |
| 6DWF Crystal structure of complex of BBKI mutant, L55R with Bovine Trypsin 提交 2018-06-26 | Assembly 6 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 F
24–246（223 aa）
片段：residues 24-246
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.6M Ammonium Sulfate, 0.1M Sodium Citrate at pH 4.2
|
分辨率 1.94 Å R-free 0.223 |
| 6DWH Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-26 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
24–246（223 aa）
片段：residues 24-246
链 D
24–246（223 aa）
片段：residues 24-246
|
未记录 | NA SODIUM ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.6M Ammonium Sulfate
0.1M Sodium Citrate
|
分辨率 2.00 Å R-free 0.223 |
| 6DWH Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-26 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 B
24–246（223 aa）
片段：residues 24-246
链 C
24–246（223 aa）
片段：residues 24-246
|
未记录 | NA SODIUM ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.6M Ammonium Sulfate
0.1M Sodium Citrate
|
分辨率 2.00 Å R-free 0.223 |
| 6DWH Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-26 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
24–246（223 aa）
片段：residues 24-246
链 F
24–246（223 aa）
片段：residues 24-246
|
未记录 | NA SODIUM ION × 4 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.6M Ammonium Sulfate
0.1M Sodium Citrate
|
分辨率 2.00 Å R-free 0.223 |
| 6DWR Trypsin serine protease modified with the protease inhibitor cyanobenzylsulfonylfluoride 提交 2018-06-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
非标准单体：是（mmCIF未提供具体位点） | EDO 1,2-ETHANEDIOL × 4 CA CALCIUM ION × 4 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；22% PEG8000, 0.225 M ammonium sulfate, 0.1 M Hepes (pH 7.5), 10% isopropanol
|
分辨率 1.32 Å R-free 0.187 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | 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 AA
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 10 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 AS
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 11 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 AU
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 12 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 BA
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 13 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 BC
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 14 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 BE
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 15 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 BG
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 16 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 BI
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 17 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 BK
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 18 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 BM
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 19 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 BO
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 2 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 AC
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 20 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 BQ
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 21 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 BS
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 22 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 BU
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 23 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 CA
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 24 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 CC
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 25 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 CE
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 26 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 CG
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 27 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 CI
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 28 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 CK
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 29 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 CM
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 3 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 AE
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 30 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 CO
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 31 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 CQ
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 32 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 CS
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 33 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 CU
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 34 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 DA
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 35 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 DC
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 36 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 DE
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 37 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 DG
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 38 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 DI
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 39 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 DK
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 4 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 AG
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 40 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 DM
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 41 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 DO
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 42 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 DQ
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 43 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 DS
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 44 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 DU
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 5 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 AI
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 6 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 AK
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 7 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 AM
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 8 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 AO
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DWU Crystal structure of complex of BBKI and Bovine Trypsin 提交 2018-06-28 | Assembly 9 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 AQ
24–246（223 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 8；293 K；17.5% PEG3350
|
分辨率 3.96 Å R-free 0.281 |
| 6DZF Orthorhombic trypsin cryocooled to 100 K with 20% xylose as cryoprotectant 提交 2018-07-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 1 XYS alpha-D-xylopyranose × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；294 K；Well: 25% PEG 8K, 0.2 M AmSO4, 0.1 M benzamidine HCl, 0.1 M Tris buffer pH 8.0
|
分辨率 2.20 Å R-free 0.389 |
| 6E5M Crystallographic structure of the cyclic nonapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 32 2 1 提交 2018-07-20 | 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；294 K；0.1 M TRIS pH 8.5
2.0 M Ammonium Sulfate
|
分辨率 1.61 Å R-free 0.189 |
| 6EAT Crystallographic structure of the cyclic nonapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21. 提交 2018-08-03 | 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 12 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M Hepes sodium
1 M Monohydrate lithium sulfate
|
分辨率 1.15 Å R-free 0.154 |
| 6EAU Crystallographic structure of the octapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21. 提交 2018-08-03 | 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
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 7 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0,1M HEPES sodium
2 M Lithium sulfate monohydrate
|
分辨率 1.18 Å R-free 0.161 |
| 6EAV Crystallographic structure of the cyclic heptapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 4(1) 2(1) 2 提交 2018-08-03 | 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.2 M Sodium Cacodylate
30% w/v Polyethylene Glycol 8000
|
分辨率 1.39 Å R-free 0.176 |
| 6EAW Crystallographic structure of the cyclic heptapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21 提交 2018-08-03 | 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
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 5 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M Hepes sodium
1 M Lithium sulfate monohydrate
|
分辨率 1.29 Å R-free 0.155 |
| 6EAX Crystallographic structure of the cyclic hexapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21 提交 2018-08-03 | 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 J3D N-carboxy-L-cysteine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M Sodium cacodylate
30% w/v polyethylene glycol 8000
|
分辨率 1.19 Å R-free 0.156 |
| 6FID Bovine trypsin solved by S-SAD on ID30B 提交 2018-01-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；25% PEG 8000, 0.2 M ammonium sulfate and 100mM Tris-HCl
|
分辨率 2.20 Å R-free 0.220 |
| 6MRQ Structure of ToPI1 inhibitor from Tityus obscurus scorpion venom in complex with trypsin 提交 2018-10-15 | 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M Hepes Sodium pH 7.5
1.5 M Lithium sulfate monohydrate
|
分辨率 1.29 Å R-free 0.180 |
| 6QIH Pancreatic Bovine Trypsin with a boronic acid inhibitor 提交 2019-01-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | J3T [4-[(4~{S})-4-oxidanyl-5-oxidanylidene-1,3,2-dioxaborolan-2-yl]phenyl]methyl carbamimidothioate × 1 CA CALCIUM ION × 1 GOL GLYCEROL × 3 SO4 SULFATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；25% polyethylene glycol 8000 (PEG 8K), 0.2 M ammonium sulfate and 0.1 M sodium cacodylate buffer (pH 6.5)
|
分辨率 1.42 Å R-free 0.133 |
| 6QL0 Cationic Trypsin in Complex with a D-Phe-Pro-p-aminopyridine derivative 提交 2019-01-31 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–246（246 aa）
|
未记录 | CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 5 DMS DIMETHYL SULFOXIDE × 2 J5K (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.2 M (NH4)2SO4, 15% PEG8000, 100% ethylene glycol, 1M HEPES pH 7.5
|
分辨率 1.63 Å R-free 0.195 |
| 6SUX Terahertz irradiated structure of bovine trypsin (even frames of crystal x37) 提交 2019-09-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7；293 K；HEPES, CaCl2, benzamidine, PEG 8000, (NH4)2SO4,
|
分辨率 1.16 Å R-free 0.165 |
| 6SV0 Non-terahertz irradiated structure of bovine trypsin (odd frames of crystal x37) 提交 2019-09-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein solution- 60 mg/ml trypsin, 6 mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution- 18% PEG 8000, 200 mM (NH4)2SO4, 50 mM HEPES pH 7, 3 mM CaCl2 and 6 mg/ml benzamidine. 1:1 ratio drops, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.16 Å R-free 0.163 |
| 6SV6 Non-terahertz irradiated structure of bovine trypsin (even frames of crystal x38) 提交 2019-09-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein solution - 60 mg/ml trypsin, 6 mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution- 18% PEG 8000, 200 mM (NH4)2SO4, 50 mM HEPES pH 7, 3 mM CaCl2 and 6 mg/ml benzamidine. 1:1 ratio drops
|
分辨率 1.15 Å R-free 0.166 |
| 6SV8 Terahertz irradiated structure of bovine trypsin (odd frames of crystal x38) 提交 2019-09-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein solution- 60 mg/ml trypsin, 6 mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution- 18% PEG 8000, 200 mM (NH4)2SO4, 50 mM HEPES pH 7, 3 mM CaCl2 and 6 mg/ml benzamidine. 1:1 ratio drops
|
分辨率 1.15 Å R-free 0.168 |
| 6SV9 Non-terahertz irradiated structure of bovine trypsin (even frames of crystal x40) 提交 2019-09-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein solution- 60 mg/ml trypsin, 6 mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution- 18% PEG 8000, 200 mM (NH4)2SO4, 50 mM HEPES pH 7, 3 mM CaCl2 and 6 mg/ml benzamidine. 1:1 ratio drops
|
分辨率 1.15 Å R-free 0.185 |
| 6SVB Terahertz irradiated structure of bovine trypsin (odd frames of crystal x40) 提交 2019-09-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein solution - 60 mg/ml trypsin, 6 mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution - 18% PEG 8000, 200 mM (NH4)2SO4, 50 mM HEPES pH 7, 3 mM CaCl2 and 6 mg/ml benzamidine. 1:1 ratio drops
|
分辨率 1.15 Å R-free 0.182 |
| 6SVD Non-terahertz irradiated structure of bovine trypsin (even frames of crystal x41) 提交 2019-09-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein solution - 60 mg/ml trypsin, 6 mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution - 18% PEG 8000, 200 mM (NH4)2SO4, 50 mM HEPES pH 7, 3 mM CaCl2 and 6 mg/ml benzamidine. 1:1 ratio drops
|
分辨率 1.15 Å R-free 0.182 |
| 6SVG Terahertz irradiated structure of bovine trypsin (odd frames of crystal x41) 提交 2019-09-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein solution - 60 mg/ml trypsin, 6 mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution - 18% PEG 8000, 200 mM (NH4)2SO4, 50 mM HEPES pH 7, 3 mM CaCl2 and 6 mg/ml benzamidine. 1:1 ratio drops
|
分辨率 1.16 Å R-free 0.181 |
| 6SVI Non-terahertz irradiated structure of bovine trypsin (even frames of crystal x42) 提交 2019-09-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein solution - 60 mg/ml trypsin, 6 mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution - 18% PEG 8000, 200 mM (NH4)2SO4, 50 mM HEPES pH 7, 3 mM CaCl2 and 6 mg/ml benzamidine. 1:1 ratio drops
|
分辨率 1.16 Å R-free 0.193 |
| 6SVJ Terahertz irradiated structure of bovine trypsin (odd frames of crystal x42) 提交 2019-09-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein solution - 60 mg/ml trypsin, 6 mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution - 18% PEG 8000, 200 mM (NH4)2SO4, 50 mM HEPES pH 7, 3 mM CaCl2 and 6 mg/ml benzamidine. 1:1 ratio drops
|
分辨率 1.16 Å R-free 0.192 |
| 6SVN Reference structure of bovine trypsin (even frames of crystal x28) 提交 2019-09-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein solution - 60 mg/ml trypsin, 6 mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution - 18% PEG 8000, 200 mM (NH4)2SO4, 50 mM HEPES pH 7, 3 mM CaCl2 and 6 mg/ml benzamidine. 1:1 ratio drops
|
分辨率 1.16 Å R-free 0.171 |
| 6SVR Reference structure of bovine trypsin (odd frames of crystal x28) 提交 2019-09-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein solution - 60 mg/ml trypsin, 6 mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution - 18% PEG 8000, 200 mM (NH4)2SO4, 50 mM HEPES pH 7, 3 mM CaCl2 and 6 mg/ml benzamidine. 1:1 ratio drops
|
分辨率 1.16 Å R-free 0.171 |
| 6SVU Reference structure of bovine trypsin (even frames of crystal x30) 提交 2019-09-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein solution - 60 mg/ml trypsin, 6 mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution - 18% PEG 8000, 200 mM (NH4)2SO4, 50 mM HEPES pH 7, 3 mM CaCl2 and 6 mg/ml benzamidine. 1:1 ratio drops
|
分辨率 1.15 Å R-free 0.201 |
| 6SVV Reference structure of bovine trypsin (odd frames of crystal x30) 提交 2019-09-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein solution - 60 mg/ml trypsin, 6 mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution - 18% PEG 8000, 200 mM (NH4)2SO4, 50 mM HEPES pH 7, 3 mM CaCl2 and 6 mg/ml benzamidine. 1:1 ratio drops
|
分辨率 1.15 Å R-free 0.194 |
| 6SVW Reference structure of bovine trypsin (even frames of crystal x33) 提交 2019-09-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein solution - 60 mg/ml trypsin, 6 mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution - 18% PEG 8000, 200 mM (NH4)2SO4, 50 mM HEPES pH 7, 3 mM CaCl2 and 6 mg/ml benzamidine. 1:1 ratio drops
|
分辨率 1.16 Å R-free 0.165 |
| 6SVX Reference structure of bovine trypsin (odd frames of crystal x33) 提交 2019-09-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein solution - 60 mg/ml trypsin, 6 mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution - 18% PEG 8000, 200 mM (NH4)2SO4, 50 mM HEPES pH 7, 3 mM CaCl2 and 6 mg/ml benzamidine. 1:1 ratio drops
|
分辨率 1.16 Å R-free 0.166 |
| 6SVZ Reference structure of bovine trypsin (even frames of crystal x34) 提交 2019-09-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein solution - 60 mg/ml trypsin, 6 mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution - 18% PEG 8000, 200 mM (NH4)2SO4, 50 mM HEPES pH 7, 3 mM CaCl2 and 6 mg/ml benzamidine. 1:1 ratio drops
|
分辨率 1.15 Å R-free 0.182 |
| 6SW0 Reference structure of bovine trypsin (odd frames of crystal x34) 提交 2019-09-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein solution - 60 mg/ml trypsin, 6 mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution - 18% PEG 8000, 200 mM (NH4)2SO4, 50 mM HEPES pH 7, 3 mM CaCl2 and 6 mg/ml benzamidine. 1:1 ratio drops
|
分辨率 1.15 Å R-free 0.182 |
| 6SWV Trypsin fast data collection 提交 2019-09-24 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 AAA
1–246（246 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 6 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；15 mg/ml protein, 100 mM benzamidine, 25% PEG 8000, 0.2 M ammonium sulfate, 100 mM Tris-HCl
|
分辨率 1.43 Å R-free 0.206 |
| 6SY3 Cationic Trypsin in Complex with a D-DiPhe-Pro-pyridine derivative 提交 2019-09-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–246（246 aa）
|
未记录 | CA CALCIUM ION × 1 DMS DIMETHYL SULFOXIDE × 1 LXW (2~{S})-1-[(2~{R})-2-azanyl-3,3-diphenyl-propanoyl]-~{N}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M (NH4)2SO4, 0.1 M imidazole, 0.1% (w/v) sodium azide, 25-27% (w/v) PEG8000
|
分辨率 0.95 Å R-free 0.134 |
| 6T0M Cationic Trypsin in Complex with a D-Phe-Pro-diaminopyridine derivative 提交 2019-10-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–246（246 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 2 CA CALCIUM ION × 1 SO4 SULFATE ION × 1 GOZ (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；291 K；0.2 M (NH4)2SO4, 0.1 M imidazole, 0.1% (w/v) sodium azide, 25-27% (w/v) PEG8000
|
分辨率 1.51 Å R-free 0.171 |
| 6T0P Cationic Trypsin in Complex with a D-Phe-Pro-2-aminopyridine derivative 提交 2019-10-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–246（246 aa）
|
未记录 | CA CALCIUM ION × 1 DMS DIMETHYL SULFOXIDE × 2 M6Q (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M (NH4)2SO4, 0.1 M imidazole, 0.1% (w/v) sodium azide, 25% (w/v) PEG8000
|
分辨率 1.19 Å R-free 0.138 |
| 6T5W Cationic Trypsin in Complex with a D-Phe-Pro-p-aminopyridine Derivative (cocrystallizaton at 291 K) 提交 2019-10-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–246（246 aa）
|
未记录 | CA CALCIUM ION × 1 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1 J5K (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M (NH4)2SO4, 0.1 M imidazole, 0.1% (w/v) sodium azide, 25% (w/v) PEG8000
|
分辨率 1.13 Å R-free 0.145 |
| 6T9U Bovine Trypsine in complex with the synthetic inhibitor (S)-3'-(N-(1-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-3-(3-carbamimidoylphenyl)-1-oxopropan-2-yl)sulfamoyl)-[1,1'-biphenyl]-3-carboximidamide (MI-490) 提交 2019-10-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–246（246 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 2 MZE 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea × 1 TFA trifluoroacetic acid × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；291 K；100 mM Imidazole pH 8.0, 100 mM Ammoniumsulfate, 20-25 % PEG8000, 0.1% Sodiumazide, 1 mM Ligand, Protein at 10-20 mg/mL
|
分辨率 1.07 Å R-free 0.151 |
| 6T9V Bovine Trypsin in complex with the synthetic inhibitor (S)-3-(3-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)-[1,1'-biphenyl])-3-sulfonamido)-3-oxopropyl)benzimidamide (MI-1904) 提交 2019-10-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–246（246 aa）
|
未记录 | TFA trifluoroacetic acid × 1 DMS DIMETHYL SULFOXIDE × 2 CA CALCIUM ION × 1 MXH 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；291 K；100 mM Imidazole pH 8.0, 100 mM Ammoniumsulfate, 20-25 % PEG8000, 0.1% Sodium-azide, 1 mM Ligand, Protein at 10-20 mg/mL
|
分辨率 1.13 Å R-free 0.152 |
| 6U22 Crystal structure of SFTI-triazole inhibitor in complex with beta-trypsin 提交 2019-08-19 | 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 WMH 1-methyl-1H-1,2,3-triazole × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；Precipitant: PEG4000 (25%-35% w/v), TrisBase (0.1 M, 8.5-9.5 pH) and NH4Ac (0.26 M). Protein solution: 22 mg/mL in Tris.HCl (0.1 M, pH 8.0) with CaCl2 (10 mM)
|
分辨率 1.42 Å R-free 0.174 |
| 6VXY Triazole bridged SFTI1 inhibitor in complex with beta-trypsin 提交 2020-02-25 | 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
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 WMH 1-methyl-1H-1,2,3-triazole × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；Precipitant: 30% PEG4000, TrisBase (0.1m 8.5 pH), NH4Ac (0.26 M).
Protein solution: 22 mg/mL in TrisHCL (0.1M, pH 8.0) with CaCl2 (10 mM).
Seeded from trypsin crystals
|
分辨率 1.40 Å R-free 0.245 |
| 6XYG Femtosecond structure of bovine trypsin at room temperature 提交 2020-01-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | BEN BENZAMIDINE × 1 SO4 SULFATE ION × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；18% PEG8000, 50 mM HEPES pH 7.0, 0.2 M Ammonium sulfate, 3 mM CaCl2and 6 mg/ml benzamidine
|
分辨率 1.50 Å R-free 0.194 |
| 6XYK Crystal structure of bovine trypsin at room temperature. 提交 2020-01-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | BEN BENZAMIDINE × 1 SO4 SULFATE ION × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；18% PEG8000, 50 mM HEPES pH 7.0, 0.2 M Ammonium sulfate, 3 mM CaCl2and 6 mg/ml benzamidine
|
分辨率 1.50 Å R-free 0.163 |
| 6YDY Cationic Trypsin in Complex with a D-Phe-Pro-benzylamine derivative 提交 2020-03-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–246（246 aa）
|
未记录 | CA CALCIUM ION × 1 K73 (2~{S})-~{N}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1 M (NH4)2SO4, 0.1 M imidazole, 0.1% sodium azide, 25% (w/v) PEG8000
|
分辨率 1.45 Å R-free 0.185 |
| 6YIS Trypsin inhibitor in complex with bovine trypsin 提交 2020-04-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–246（246 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 D86 [azanyl(piperidin-1-yl)methylidene]azanium × 1 DMS DIMETHYL SULFOXIDE × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7；291 K；ammonium sulfat, PEG 8000, ethylene glycol, HEPES
|
分辨率 1.19 Å R-free 0.173 |
| 6YIT Trypsin inhibitor in complex with bovine trypsin 提交 2020-04-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 8M2 [azanyl(thiophen-3-yl)methylidene]azanium × 1 DMS DIMETHYL SULFOXIDE × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；ammonium sulfat, PEG 8000, ethylene glycol, HEPES
|
分辨率 1.25 Å R-free 0.163 |
| 6YIU Trypsin inhibitor in complex with bovine trypsin 提交 2020-04-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 1 3AB 3-aminobenzamide × 1 CA CALCIUM ION × 1 DMS DIMETHYL SULFOXIDE × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；ammonium sulfat, PEG 8000, ethylene glycol, HEPES
|
分辨率 1.36 Å R-free 0.169 |
| 6YIV Trypsin inhibitor in complex with bovine trypsin 提交 2020-04-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | D86 [azanyl(piperidin-1-yl)methylidene]azanium × 1 SO4 SULFATE ION × 4 DMS DIMETHYL SULFOXIDE × 5 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；ammonium sulfat, PEG 8000, ethylene glycol, HEPES
|
分辨率 0.95 Å R-free 0.135 |
| 6YIW Trypsin inhibitor in complex with bovine trypsin 提交 2020-04-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 4 SO4 SULFATE ION × 3 CA CALCIUM ION × 1 F05 1H-isoindol-3-amine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；ammonium sulfat, PEG 8000, ethylene glycol, HEPES
|
分辨率 0.97 Å R-free 0.142 |
| 6YIX Trypsin inhibitor in complex with bovine trypsin 提交 2020-04-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 2 8M2 [azanyl(thiophen-3-yl)methylidene]azanium × 1 DMS DIMETHYL SULFOXIDE × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；ammonium sulfat, PEG8000, ethylene glycol, HEPES
|
分辨率 1.31 Å R-free 0.194 |
| 6YIY Trypsin inhibitor in complex with bovine trypsin 提交 2020-04-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 4 F05 1H-isoindol-3-amine × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；ammonium sulfat, PEG8000, ethylene glycol, HEPES
|
分辨率 1.11 Å R-free 0.157 |
| 6YZA Trypsin inhibitor in complex with bovine trypsin 提交 2020-05-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 TP5 THIOPHENE-3-CARBOXIMIDAMIDE × 1 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；ammonium sulfate, PEG 8000, ethylene glycol, HEPES
|
分辨率 1.30 Å R-free 0.173 |
| 6YZC Trypsin inhibitor in complex with bovine trypsin 提交 2020-05-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 AMH TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；ammonium sulfate, PEG 8000, ethylene glycol, HEPES
|
分辨率 1.42 Å R-free 0.179 |
| 6ZFJ Trypsin inhibitor in complex with bovine trypsin 提交 2020-06-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 DMS DIMETHYL SULFOXIDE × 3 SO4 SULFATE ION × 3 F05 1H-isoindol-3-amine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；ammonium sulfat
PEG8000
ethylene glycol
HEPES
|
分辨率 1.00 Å R-free 0.126 |
| 6ZFK Trypsin inhibitor in complex with bovine trypsin 提交 2020-06-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 2 CA CALCIUM ION × 1 SO4 SULFATE ION × 3 479 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；ammonium sulfat
PEG8000
ethylene glycol
HEPES
|
分辨率 1.10 Å R-free 0.138 |
| 6ZQ2 Cationic trypsin in complex with a derivative of benzamidine 提交 2020-07-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | 32U D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide × 1 CA CALCIUM ION × 1 GOL GLYCEROL × 3 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1% (NH4)2SO4
0.1% imidazole
22% PEG 8000
0.1% NaN3
|
分辨率 1.29 Å R-free 0.145 |
| 7AL8 Structure of ATSI with bovine trypsin 提交 2020-10-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 16 PDB 声明：hexadecameric（16） 与蛋白数一致 |
链 B
24–246（223 aa）
链 E
24–246（223 aa）
链 H
24–246（223 aa）
链 K
24–246（223 aa）
链 N
24–246（223 aa）
链 Q
24–246（223 aa）
链 T
24–246（223 aa）
链 U
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 25 CA CALCIUM ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；292 K；2M AmSO4, 0.1 M HEPES 7.5; 2% PEG400
|
分辨率 2.85 Å R-free 0.331 |
| 7AYS Structure of bovine trypsin determined from single femtosecond snapshots per orientation at room temperature 提交 2020-11-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | BEN BENZAMIDINE × 1 SO4 SULFATE ION × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；18% PEG8000, 50 mM HEPES pH 7.0, 0.2 M ammonium sulfate, 3 mM CaCl2, 6 mg/ml benzamidine
|
分辨率 2.10 Å R-free 0.260 |
| 7BRV Bovine Pancreatic Trypsin with 4-Bromobenzamidine (Room Temperature) 提交 2020-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 F5R 4-bromanylbenzenecarboximidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350
|
分辨率 1.55 Å R-free 0.172 |
| 7BRW Bovine Pancreatic Trypsin with 5-chlorotryptamine (Room Temperature) 提交 2020-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 6SO 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350
|
分辨率 1.60 Å R-free 0.214 |
| 7BRX Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Room Temperature) 提交 2020-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 F5U 2-(5-methoxy-1H-indol-3-yl)ethanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350
|
分辨率 1.35 Å R-free 0.181 |
| 7BRY Bovine Pancreatic Trypsin with 6-Methoxytryptamine (Room Temperature) 提交 2020-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | F5X 2-(6-methoxy-1H-indol-3-yl)ethanamine × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350
|
分辨率 1.65 Å R-free 0.195 |
| 7BRZ Bovine Pancreatic Trypsin with 2-Methyltryptamine (Room Temperature) 提交 2020-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 F66 2-(2-methyl-1H-indol-3-yl)ethanamine × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350
|
分辨率 1.30 Å R-free 0.183 |
| 7BS0 Bovine Pancreatic Trypsin with aniline (Room Temperature) 提交 2020-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 ANL ANILINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350
|
分辨率 1.85 Å R-free 0.211 |
| 7BS1 Bovine Pancreatic Trypsin with benzamidine (Room Temperature) 提交 2020-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | BEN BENZAMIDINE × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350
|
分辨率 1.50 Å R-free 0.190 |
| 7BS2 Bovine Pancreatic Trypsin with serotonin (Room Temperature) 提交 2020-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SRO SEROTONIN × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350
|
分辨率 1.80 Å R-free 0.192 |
| 7BS3 Bovine Pancreatic Trypsin with 4-Bromo-benzamidine (Cryo) 提交 2020-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 F5R 4-bromanylbenzenecarboximidamide × 1 DMS DIMETHYL SULFOXIDE × 12 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350
|
分辨率 1.28 Å R-free 0.191 |
| 7BS4 Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Cryo) 提交 2020-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 F5U 2-(5-methoxy-1H-indol-3-yl)ethanamine × 2 DMS DIMETHYL SULFOXIDE × 5 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350
|
分辨率 1.04 Å R-free 0.172 |
| 7BS5 Bovine Pancreatic Trypsin with 6-Methoxytryptamine (Cryo) 提交 2020-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 F5X 2-(6-methoxy-1H-indol-3-yl)ethanamine × 1 DMS DIMETHYL SULFOXIDE × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350
|
分辨率 1.17 Å R-free 0.180 |
| 7BS6 Bovine Pancreatic Trypsin with 2-Methyltryptamine (Cryo) 提交 2020-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 F66 2-(2-methyl-1H-indol-3-yl)ethanamine × 1 DMS DIMETHYL SULFOXIDE × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350
|
分辨率 1.04 Å R-free 0.162 |
| 7BS7 Bovine Pancreatic Trypsin with aniline (Cryo) 提交 2020-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 ANL ANILINE × 3 DMS DIMETHYL SULFOXIDE × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350
|
分辨率 1.04 Å R-free 0.169 |
| 7BS8 Bovine Pancreatic Trypsin with Benzamidine (Cryo) 提交 2020-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 2 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350
|
分辨率 1.37 Å R-free 0.181 |
| 7BS9 Bovine Pancreatic Trypsin with serotonin (Cryo) 提交 2020-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SRO SEROTONIN × 1 DMS DIMETHYL SULFOXIDE × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350
|
分辨率 1.05 Å R-free 0.171 |
| 7BSA Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo) 提交 2020-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 6SO 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine × 1 GOL GLYCEROL × 5 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350
|
分辨率 1.22 Å R-free 0.167 |
| 7JR1 Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin 提交 2020-08-11 | 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
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 4.2；293 K；1.6M Ammonium Sulfate, pH 4.2
|
分辨率 2.05 Å R-free 0.220 |
| 7JR1 Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin 提交 2020-08-11 | Assembly 2 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
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 4.2；293 K；1.6M Ammonium Sulfate, pH 4.2
|
分辨率 2.05 Å R-free 0.220 |
| 7JR1 Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin 提交 2020-08-11 | Assembly 3 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 C
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 2 NA SODIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 4.2；293 K；1.6M Ammonium Sulfate, pH 4.2
|
分辨率 2.05 Å R-free 0.220 |
| 7JR1 Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin 提交 2020-08-11 | Assembly 4 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 D
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 4.2；293 K；1.6M Ammonium Sulfate, pH 4.2
|
分辨率 2.05 Å R-free 0.220 |
| 7JR1 Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin 提交 2020-08-11 | Assembly 5 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 E
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 4 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 4.2；293 K；1.6M Ammonium Sulfate, pH 4.2
|
分辨率 2.05 Å R-free 0.220 |
| 7JR1 Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin 提交 2020-08-11 | Assembly 6 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 F
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 4 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 4.2；293 K；1.6M Ammonium Sulfate, pH 4.2
|
分辨率 2.05 Å R-free 0.220 |
| 7JR2 Crystal structure of the R64M mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin 提交 2020-08-11 | 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
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.6M Ammonium Sulfate, pH 4.2
|
分辨率 1.85 Å R-free 0.221 |
| 7JR2 Crystal structure of the R64M mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin 提交 2020-08-11 | Assembly 2 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
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.6M Ammonium Sulfate, pH 4.2
|
分辨率 1.85 Å R-free 0.221 |
| 7JR2 Crystal structure of the R64M mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin 提交 2020-08-11 | Assembly 3 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 C
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.6M Ammonium Sulfate, pH 4.2
|
分辨率 1.85 Å R-free 0.221 |
| 7JR2 Crystal structure of the R64M mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin 提交 2020-08-11 | Assembly 4 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 D
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.6M Ammonium Sulfate, pH 4.2
|
分辨率 1.85 Å R-free 0.221 |
| 7JR2 Crystal structure of the R64M mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin 提交 2020-08-11 | Assembly 5 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 E
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.6M Ammonium Sulfate, pH 4.2
|
分辨率 1.85 Å R-free 0.221 |
| 7JR2 Crystal structure of the R64M mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin 提交 2020-08-11 | Assembly 6 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 F
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 5 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.6M Ammonium Sulfate, pH 4.2
|
分辨率 1.85 Å R-free 0.221 |
| 7JWX Crystal Structure of Trypsin Bound O-methyl Benzamidine 提交 2020-08-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | VN1 4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.9M (NH4)2 SO4, 50mM MES pH 6.0, 2mM O-methyl Benzamidine
|
分辨率 2.38 Å R-free 0.255 |
| 7JWX Crystal Structure of Trypsin Bound O-methyl Benzamidine 提交 2020-08-26 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
24–246（223 aa）
|
未记录 | VN1 4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.9M (NH4)2 SO4, 50mM MES pH 6.0, 2mM O-methyl Benzamidine
|
分辨率 2.38 Å R-free 0.255 |
| 7JWX Crystal Structure of Trypsin Bound O-methyl Benzamidine 提交 2020-08-26 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
24–246（223 aa）
|
未记录 | VN1 4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.9M (NH4)2 SO4, 50mM MES pH 6.0, 2mM O-methyl Benzamidine
|
分辨率 2.38 Å R-free 0.255 |
| 7JWX Crystal Structure of Trypsin Bound O-methyl Benzamidine 提交 2020-08-26 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
24–246（223 aa）
|
未记录 | VN1 4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.9M (NH4)2 SO4, 50mM MES pH 6.0, 2mM O-methyl Benzamidine
|
分辨率 2.38 Å R-free 0.255 |
| 7PH1 Trypsin in complex with BPTI mutant (2S)-2-amino-4-monofluorobutanoic acid 提交 2021-08-16 | 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 E
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 13 GOL GLYCEROL × 9 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；291 K；2.2 M ammonium sulfate
|
分辨率 1.18 Å R-free 0.166 |
| 7Q0W Bovine Trypsin co-crystallized with V(IV)OSO4 and phen 提交 2021-10-16 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | IMD IMIDAZOLE × 4 CA CALCIUM ION × 1 PHN 1,10-PHENANTHROLINE × 1 V VANADIUM ION × 1 O OXYGEN ATOM × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；293 K；10% (m/v) PEG8000; 0.1 M imidazole pH 8.0
|
分辨率 1.20 Å R-free 0.162 |
| 7Q0X Bovine Trypsin co-crystallized with V(IV)OSO4 and pic 提交 2021-10-16 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | V VANADIUM ION × 1 O OXYGEN ATOM × 1 6PC PYRIDINE-2-CARBOXYLIC ACID × 2 GOL GLYCEROL × 5 SO4 SULFATE ION × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；293 K；30% PEG4K; 0.2 M ammonium sulfate
|
分辨率 1.09 Å R-free 0.136 |
| 7VO7 Crystal structure of trypsin in complex with Lima bean trypsin inhibitor at 2.25A resolution. 提交 2021-10-12 | 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
24–246（223 aa）
链 B
24–246（223 aa）
|
未记录 | GOL GLYCEROL × 6 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293 K；0.1-0.4 M lithium sulfate, and 16% PEG-3350.
|
分辨率 2.25 Å R-free 0.233 |
| 7WA0 Crystal structure of Bovine Pancreatic Trypsin in complex with Benzamidine at Room Temperature 提交 2021-12-11 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | BEN BENZAMIDINE × 1 DMS DIMETHYL SULFOXIDE × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；100mM Tris-HCl, 30 %(w/v) PEG 3350
|
分辨率 1.77 Å R-free 0.199 |
| 7WA2 Crystal structure of Bovine Pancreatic Trypsin in complex with 4-Methoxybenzamidine at Room Temperature 提交 2021-12-11 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | RKX 4-methoxybenzenecarboximidamide × 1 DMS DIMETHYL SULFOXIDE × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；100mM Tris-HCl, 30% (w/v) PEG 3350
|
分辨率 1.52 Å R-free 0.178 |
| 7WB6 Crystal structure of Bovine Pancreatic Trypsin in complex with 4-Bromobenzamidine at Room Temperature 提交 2021-12-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | F5R 4-bromanylbenzenecarboximidamide × 1 DMS DIMETHYL SULFOXIDE × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；100mM Tris-HCl, 30% (w/v) PEG 3350
|
分辨率 1.48 Å R-free 0.181 |
| 7WB7 Crystal structure of Bovine Pancreatic Trypsin in complex with Serotonin at Room Temperature 提交 2021-12-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | SRO SEROTONIN × 1 DMS DIMETHYL SULFOXIDE × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；100mM Tris-HCl, 30% (w/v) PEG 3350
|
分辨率 1.45 Å R-free 0.172 |
| 7WB8 Crystal structure of Bovine Pancreatic Trypsin in complex with 5-Methoxytryptamine at Room Temperature 提交 2021-12-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | F5U 2-(5-methoxy-1H-indol-3-yl)ethanamine × 1 DMS DIMETHYL SULFOXIDE × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；100mM Tris-HCl, 30% (w/v) PEG 3350
|
分辨率 1.38 Å R-free 0.165 |
| 7WB9 Crystal structure of Bovine Pancreatic Trypsin in complex with 5-Chlorotryptamine at Room Temperature 提交 2021-12-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | 6SO 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine × 1 DMS DIMETHYL SULFOXIDE × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；100mM Tris-HCl, 30% (w/v) PEG 3350
|
分辨率 1.56 Å R-free 0.190 |
| 7WBA Crystal structure of Bovine Pancreatic Trypsin in complex with Tryptamine at Room Temperature 提交 2021-12-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | TSS 2-(1H-INDOL-3-YL)ETHANAMINE × 1 DMS DIMETHYL SULFOXIDE × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；100mM Tris-HCl, 30% (w/v) PEG 3350
|
分辨率 1.45 Å R-free 0.173 |
| 7Z25 TRYPSIN (BOVINE) COMPLEXED WITH compound 12 提交 2022-02-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 4 CA CALCIUM ION × 1 IAF 2-(5-bromanyl-7-fluoranyl-2-methyl-1H-indol-3-yl)ethanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；25% PEG3350, 0.2 M LISO4, 100 MM HEPES
|
分辨率 1.35 Å R-free 0.174 |
| 7Z2I TRYPSIN (BOVINE) COMPLEXED WITH compound 4 提交 2022-02-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 4 CA CALCIUM ION × 1 I9O 5-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；25% PEG3350, 0.2 M LISO4, 100 MM HEPES PH 7.5
|
分辨率 1.09 Å R-free 0.150 |
| 8ADT Rational design of a calcium-independent trypsin variant 提交 2022-07-11 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
突变：E70C; E80C; S195A | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293.2 K；10 mg/ml Trypsin
0.2 M KNO3
22 % (w/v) PEG 3350)
14 days
|
分辨率 1.40 Å R-free 0.205 |
| 8IYV Crystal structure of trypsin-famotidine complex at 2.10 Angstroms resolution 提交 2023-04-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 FO9 famotidine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；0.1-0.4 M Li2SO4, 16% PEG-3350 and 0.1 M HEPES at pH of 7.8
|
分辨率 2.10 Å R-free 0.251 |
| 8IZH Crystal structure of trypsin-aminoguanidine complex at 2.30 Angstroms resolution 提交 2023-04-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 2 SO4 SULFATE ION × 1 AGU AMINOGUANIDINE × 4 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；0.1-0.4 M Li2SO4, 16% PEG-3350 and 0.1 M HEPES at pH of 7.8
|
分辨率 2.30 Å R-free 0.295 |
| 8IZI Crystal structure of trypsin-cimetidine complex at 2.10 Angstroms resolution 提交 2023-04-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 SD9 Cimetidine × 1 GOL GLYCEROL × 3 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；0.1-0.4 M Li2SO4, 16% PEG-3350 and 0.1 M HEPES at pH of 7.8
|
分辨率 2.10 Å R-free 0.221 |
| 8IZK Crystal structure of trypsin-guanidine complex at 2.05 Angstroms resolution 提交 2023-04-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 NA SODIUM ION × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 GAI GUANIDINE × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；0.1-0.4 M Li2SO4, 16% PEG-3350 and 0.1 M HEPES at pH of 7.8
|
分辨率 2.00 Å R-free 0.225 |
| 8KDU Crystal structure of trypsin with its substrate 提交 2023-08-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | I4Q ethyl (2~{S})-2-benzamido-5-carbamimidamido-pentanoate × 1 JNR (2~{R})-2-benzamido-5-carbamimidamido-pentanoic acid × 1 ARG ARGININE × 1 GAI GUANIDINE × 1 SO4 SULFATE ION × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 3 PEG DI(HYDROXYETHYL)ETHER × 1 EOH ETHANOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；291 K；0.1 M HEPES (pH=7.8), 16% PEG 3350, and 0.1-0.4 M Li2SO4
|
分辨率 2.30 Å R-free 0.198 |
| 8UO7 Bovine trypsin in complex with deacetylated wild type microviridin J 提交 2023-10-19 | 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
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 1 CA CALCIUM ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；295.37 K；0.1 M sodium cacodylate pH 7.0, 0.2 M ammonium sulfate, 30%(w/v) PEG 8000
|
分辨率 2.20 Å R-free 0.258 |
| 8UTL Bovine trypsin in complex with Thr3Dap mutated microviridin J 提交 2023-10-31 | 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
24–246（223 aa）
|
未记录 | GOL GLYCEROL × 2 SO4 SULFATE ION × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.5；295.37 K；0.2 M ammonium sulfate, 0.1 M sodium cacodylate pH 5.5, 15% PEG 8000
|
分辨率 1.56 Å R-free 0.194 |
| 8WK1 Bovine trypsin in complex with Durio zibethinus trypsin inhibitor DzTI-4 提交 2023-09-26 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
24–246（223 aa）
链 C
24–246（223 aa）
|
未记录 | SO4 SULFATE ION × 4 GOL GLYCEROL × 11 ACT ACETATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 4.5；289 K；100 mM sodium acetate, 200 mM ammonium sulfate, 25% PEG 4,000
|
分辨率 2.00 Å R-free 0.224 |
| 8XNI Crystal structure of trypsin in-complex with E-64 提交 2023-12-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–246（246 aa）
|
未记录 | CA CALCIUM ION × 1 CL CHLORIDE ION × 3 E64 N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；0.1 M HEPES (pH = 7.8), 16% PEG 3350, and 0.1-0.4 M Li2SO4
|
分辨率 2.30 Å R-free 0.248 |
| 8XNJ Crystal structure of trypsin in-complex with arginine 提交 2023-12-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | PEG DI(HYDROXYETHYL)ETHER × 1 CL CHLORIDE ION × 3 CA CALCIUM ION × 1 ARG ARGININE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；0.1 M HEPES (pH = 7.8), 16% PEG 3350, and 0.1-0.4 M Li2SO4
|
分辨率 2.40 Å R-free 0.275 |
| 9AVX Crystal structure of trypsin at 100 Kelvin with benzamidine 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.2；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.185 |
| 9AVY Crystal structure of trypsin at 100 Kelvin with benzamidine (Duplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.189 |
| 9AVZ Crystal structure of trypsin at 100 Kelvin with benzamidine (triplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.233 |
| 9AW0 Crystal structure of trypsin at 100 Kelvin with benzamidine (quadruplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.181 |
| 9AW1 Crystal structure of trypsin at 125 Kelvin with benzamidine 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.185 |
| 9AW2 Crystal structure of trypsin at 125 Kelvin with benzamidine (duplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.210 |
| 9AW4 Crystal structure of trypsin at 125 Kelvin with benzamidine (triplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.220 |
| 9AW8 Crystal structure of trypsin at 150 Kelvin with benzamidine 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.214 |
| 9AW9 Crystal structure of trypsin at 150 Kelvin with benzamidine (duplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.234 |
| 9AWA Crystal structure of trypsin at 150 Kelvin with benzamidine (triplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.238 |
| 9AWB Crystal structure of trypsin at 175 Kelvin with benzamidine 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.218 |
| 9AWC Crystal structure of trypsin at 175 Kelvin with benzamidine (duplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.49 Å R-free 0.225 |
| 9AWD Crystal structure of trypsin at 175 Kelvin with benzamidine (triplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.49 Å R-free 0.267 |
| 9AWF Crystal structure of trypsin at 200 Kelvin with benzamidine 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.185 |
| 9AWG Crystal structure of trypsin at 200 Kelvin with benzamidine (duplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.49 Å R-free 0.250 |
| 9AWH Crystal structure of trypsin at 200 Kelvin with benzamidine (triplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.200 |
| 9AWI Crystal structure of trypsin at 225 Kelvin with benzamidine 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.48 Å R-free 0.232 |
| 9AWL Crystal structure of trypsin at 225 Kelvin with benzamidine (duplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.301 |
| 9AWM Crystal structure of trypsin at 225 Kelvin with benzamidine (Triplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.219 |
| 9AWN Crystal structure of trypsin at 250 Kelvin with benzamidine 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.48 Å R-free 0.255 |
| 9AWO Crystal structure of trypsin at 250 Kelvin with benzamidine (duplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.206 |
| 9AWP Crystal structure of trypsin at 250 Kelvin with benzamidine (triplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.199 |
| 9AWQ Crystal structure of trypsin at 275 Kelvin with benzamidine 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.49 Å R-free 0.273 |
| 9AWR Crystal structure of trypsin at 275 Kelvin with benzamidine (duplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.49 Å R-free 0.264 |
| 9AWS Crystal structure of trypsin at 275 Kelvin with benzamidine (triplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.50 Å R-free 0.285 |
| 9AWU Crystal structure of trypsin at 300 Kelvin with benzamidine 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.48 Å R-free 0.240 |
| 9AWV Crystal structure of trypsin at 300 Kelvin with benzamidine (duplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.48 Å R-free 0.245 |
| 9AWZ Crystal structure of trypsin at 300 Kelvin with benzamidine (triplicate) 提交 2024-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 9.4；298 K；0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.
|
分辨率 1.49 Å R-free 0.226 |
| 9BKF Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1A wavelength 提交 2024-04-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
突变：S195A 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；298 K；0.1M Imidazole, pH 7.0 , 0.3M Ammonium Sulfate, 30% PEG8000
|
分辨率 1.20 Å R-free 0.201 |
| 9BKG Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1.54A wavelength 提交 2024-04-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
突变：S195A 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；298 K；0.1M Imidazole, pH 7.0 , 0.3M Ammonium Sulfate, 30% PEG8000
|
分辨率 1.57 Å R-free 0.204 |
| 9BOK Crystal structure of reduced bovine trypsin, 50mM DTT-treated 提交 2024-05-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；298 K；0.1M Imidazole pH 7.0, 30% PEG-8000, 0.3M ammonium sulfate
|
分辨率 1.35 Å R-free 0.192 |
| 9BOM Crystal structure of reduced bovine trypsin, 25mM DTT-treated 提交 2024-05-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；298 K；0.1M Imidazole pH 7.0, 0.3M ammonium sulfate, 30% PEG-8000
|
分辨率 1.35 Å R-free 0.187 |
| 9KK4 Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxine 提交 2024-11-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | GOL GLYCEROL × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 UEG 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES (pH =7.5), 0.1-0.4 M Li2SO4, and PEG 16%
|
分辨率 2.35 Å R-free 0.260 |
| 9KK5 Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxal 提交 2024-11-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–246（223 aa）
|
未记录 | PXL 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES (pH =7.5), 0.1-0.4 M Li2SO4, and PEG 16%
|
分辨率 2.00 Å R-free 0.232 |
| 9P77 Structure of Bovine Trypsin Complexed with Mellitic Acid at Room Temperature 提交 2025-06-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
1–246（246 aa）
|
未记录 | BEN BENZAMIDINE × 1 MLI MALONATE ION × 1 ACT ACETATE ION × 2 BHC BENZENE HEXACARBOXYLIC ACID × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；292 K；vapor diffusion at pH 6.0 with 50% TACSIMATE as reservoir precipitant. 6 ul droplets, 0.50 ml reservoirs. Drops 50% 40 mg/ml protein stock and 50% reservoir. Room temperature
|
分辨率 1.30 Å R-free 0.209 |
| 9P7B The Structure of Bovine Trypsin Complexed With Mellitic Acid at 173 Degrees 提交 2025-06-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–246（246 aa）
|
未记录 | EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 BHC BENZENE HEXACARBOXYLIC ACID × 2 PG4 TETRAETHYLENE GLYCOL × 1 CA CALCIUM ION × 2 BEN BENZAMIDINE × 5 ACT ACETATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；Sitting drop vapor diffusion in Cryschem plates. 0.5 Reservoirs of 50% TACSIMATE pH 6. Drops 3.5 ul 40 mg/ml protein stock solution plus 3.5 ul of the reservoir. Room temperature.
|
分辨率 1.50 Å R-free 0.254 |