1bb0

THROMBIN INHIBITORS WITH RIGID TRIPEPTIDYL ALDEHYDES

Method: X-RAY DIFFRACTION D_max: 58.2 Å Quality: REASONABLE

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

THROMBIN

物种未注明

当前结构中的状态

Assembly	聚集状态	构建体	突变与修饰	配体、离子与共同组分	实验方法与环境	结构质量
1	蛋白异源复合物异源复合物蛋白 × 3 PDB 声明：trimeric（3）与蛋白拷贝数一致	链 A； UniProt 328–363 链 B； UniProt 364–622	未记录	HIRUGEN × 1 NA SODIUM ION × 2 0IV 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-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

数据库中的同蛋白其他状态

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

其他 PDB	相对当前条目 1BB0	Assembly / 聚集状态	构建体	突变与修饰	配体、离子与非聚合物	实验方法与环境	结构质量
1A2C Structure of thrombin inhibited by AERUGINOSIN298-A from a BLUE-GREEN ALGA 提交 1997-12-26	聚集状态不同配体/离子不同实验环境不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.3；pH 7.3	分辨率 2.10 Å
1A3B COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG1 提交 1998-01-20	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	T29 TRI166 (BIFUNCTIONAL BORONATE INHIBITOR) × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.15；20% PEG 8000, 0.05 M SODIUM PHOSPHATE, PH 7.15	分辨率 1.80 Å R-free 0.230
1A3E COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG2 提交 1998-01-21	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	T16 BOROLOG2 × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.15；20% PEG 8000, 0.05M SODIUM PHOSPHATE, PH 7.15	分辨率 1.85 Å R-free 0.220
1A46 THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR 提交 1998-02-11	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 00K (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 vapor diffusion - hanging drop and macroseeding；pH 7.3；0.1 M SODIUM PHOSPHATE BUFFER, PH 7.3, 27-28 % PEG 8000, HANGING DROPS AND MACROSEEDING; THEN SOAKED IN PEG-PHOSPHATE-0.1 M NACL, AND THE MOL 106 INHIBITOR WAS ADDED IN 3 STEPS WITH FINAL CONC. 7.3 MM, vapor diffusion - hanging drop and macroseeding	分辨率 2.12 Å
1A4W CRYSTAL STRUCTURES OF THROMBIN WITH THIAZOLE-CONTAINING INHIBITORS: PROBES OF THE S1' BINDING SITE 提交 1998-02-06	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 QWE amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2R)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]pip eridin-1-yl}pentyl]amino}methaniminium × 1	X-RAY DIFFRACTION X-ray结晶条件 vapor diffusion - hanging drop and macroseeding；pH 7.3；0.1 M SODIUM PHOSPHATE BUFFER AT PH 7.3, 27-28% PEG 8000; HANGING DROPS WITH MACROSEEDING, vapor diffusion - hanging drop and macroseeding	分辨率 1.80 Å
1A5G HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN 提交 1998-02-16	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 00L (1S,7S)-7-amino-7-benzyl-N-[(1S)-4-carbamimidamido-1-{(1S)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.3；PROTEIN WAS CRYSTALLIZED FROM 15% PEG 8000, 75 MM NAPO4, PH 7.3, 187 MM NACL, 1 MM NAN3; THEN SOAKED IN 7 MM INHIBITOR.	分辨率 2.06 Å
1A61 THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR 提交 1998-03-05	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 00N (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra zolo[1,2-a]pyridazine-1-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 vapor diffusion - hanging drop and macroseeding；pH 7.3；THROMBIN-HIRUGEN WAS CRYSTALLIZED FROM 0.1 M SODIUM PHOSPHATE BUFFER AT PH 7.3, 28% PEG 8000 IN HANGING DROPS WITH MACROSEEDING. THE MOL 127 INHIBITOR WAS ADDED BY SOAKING., vapor diffusion - hanging drop and macroseeding	分辨率 2.20 Å
1ABI STRUCTURE OF THE HIRULOG 3-THROMBIN COMPLEX AND NATURE OF THE S' SUBSITES OF SUBSTRATES AND INHIBITORS 提交 1992-08-24	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 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
1ABJ STRUCTURE OF THE HIRULOG 3-THROMBIN COMPLEX AND NATURE OF THE S' SUBSITES OF SUBSTRATES AND INHIBITORS 提交 1992-08-24	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.40 Å
1AD8 COMPLEX OF THROMBIN WITH AND INHIBITOR CONTAINING A NOVEL P1 MOIETY 提交 1997-02-24	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 1 MDL [DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-[4,4,5,5,5-PENTAFLUORO-3-OXY-1-[3-INDOLYL]-PENT-2-YL]AMINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；A DROP WITH 1.62 MG/ML PROTEIN, 0.375 M NACL, 0.09 M PHOSPHATE BUFFER (PH 7.3), 0.5 MM AZIDE, 4.9 MM INHIBITOR AND 15% (W/V) PEG8000 WAS EQUILIBRATED AGAINST 30% (W/V)PEG8000 IN 0.08 M PHOSPHATE BUFFER (PH 7.3), USING A HANGING DROP SETUP., vapor diffusion - hanging drop	分辨率 2.00 Å
1AE8 HUMAN ALPHA-THROMBIN INHIBITION BY EOC-D-PHE-PRO-AZALYS-ONP 提交 1997-03-06	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 AZL 1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；277 K；PEG 4000 15%, PH 7.0, 5X10-3 M AZALYS-DERIVATIVE, 277 K.	分辨率 2.00 Å
1AFE HUMAN ALPHA-THROMBIN INHIBITION BY CBZ-PRO-AZALYS-ONP 提交 1997-03-06	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ALZ 2-[N'-(4-AMINO-BUTYL)-HYDRAZINOCARBONYL]-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；PEG 4000 15%, PH 7.0, 5X10-3 M AZALYS COMPOUND	分辨率 2.00 Å
1AHT CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN COMPLEXED WITH HIRUGEN AND P-AMIDINOPHENYLPYRUVATE AT 1.6 ANGSTROMS RESOLUTION 提交 1995-03-17	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	APA (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.60 Å
1AI8 HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH THE EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROMPG 提交 1997-05-01	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	T42 MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.2；277 K；PROTEIN COMPLEX WAS CRYSTALLIZED FROM 25% PEG 8000 0.05 SODIUM PHOSPHATE, PH 7.2, TEMPERATURE 277 K.	分辨率 1.85 Å R-free 0.240
1AIX HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROVAL 提交 1997-04-30	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	T19 PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-FORMYL-DIPHENYLMETHYL)METHY-PRO-BOROVAL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.2；277 K；PROTEIN WAS CRYSTALLIZED FROM 25% PEG 8000, 0.05M SODIUM PHOSPHATE, PH 7.2, TEMPERATURE 4 DEGREES CELSIUS, temperature 277K	分辨率 2.10 Å R-free 0.230
1AWF NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT 提交 1997-10-02	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	GR4 R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；CRYSTALS WERE GROWN BY MACROSEEDING A SOLUTION OF 100MM HEPES PH 7.0, 22% PEG4K, 200MM NACL. THE SOLUTION CONTAINED 25%DMSO. PROTEIN CONCENTRATION OF 5MG/ML.	分辨率 2.20 Å
1AWH NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT 提交 1997-10-02	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	GR3 3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 4；14% PEG4K, 100MM NA ACETATE, PH 4.0.	分辨率 3.00 Å
1AWH NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT 提交 1997-10-02	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 328–363（36 aa）链 D 364–622（259 aa）	未记录	GR3 3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 4；14% PEG4K, 100MM NA ACETATE, PH 4.0.	分辨率 3.00 Å
1AY6 THROMBIN INHIBITOR FROM THEONALLA, CYCLOTHEANAMIDE-BASED MACROCYCLIC TRIPEPTIDE MOTIF 提交 1997-11-14	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	1ZV amino({3-[(3R,5R,14S,16S,21aR)-5,14-dihydroxy-1,4,17-trioxo-16-(2-phenylethyl)icosahydro-1H-pyrrolo[1,2-d][1,4,7,11]tetraazacyclononadecin-3-yl]propyl}amino)methaniminium × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；CRYSTALLIZED FROM 25% PEG 8K, 0.1M SOD. PHOSPHATE BUFFER PH 7.5. MACROSEEDED TO MAKE LARGER CRYSTALS	分辨率 1.80 Å
1B5G HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN 提交 1998-03-05	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	0ZE [[[(4S,5S)-4-[[(3S,6S,8aR)-6-azanyl-5-oxo-6-(phenylmethyl)-1,2,3,7,8,8a-hexahydroindolizin-3-yl]carbonylamino]-5-(1,3-b enzothiazol-2-yl)-5-hydroxy-pentyl]amino]-azanyl-methylidene]azanium × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 7.3；PROTEIN WAS CRYSTALLIZED FROM 15% PEG 8000, 75 MM NAPO4, PH 7.3, 187 MM NACL, 1 MM NAN3; THEN SOAKED IN 7 MM INHIBITOR.	分辨率 2.07 Å
1B7X STRUCTURE OF HUMAN ALPHA-THROMBIN Y225I MUTANT BOUND TO D-PHE-PRO-ARG-CHLOROMETHYLKETONE 提交 1999-01-25	突变/修饰不同配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	突变：Y225I	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；pH 7.5	分辨率 2.10 Å R-free 0.282
1BA8 THROMBIN INHIBITOR WITH A RIGID TRIPEPTIDYL ALDEHYDES 提交 1998-04-23	配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	0IT amino({(4S)-4-[({(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}acetyl)amino]-5-oxopentyl}amino)methaniminium × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；pH 7.5	分辨率 1.80 Å
1BCU ALPHA-THROMBIN COMPLEXED WITH HIRUGEN AND PROFLAVIN 提交 1998-05-02	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	PRL PROFLAVIN × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；pH 7	分辨率 2.00 Å R-free 0.212
1BHX X-RAY STRUCTURE OF THE COMPLEX OF HUMAN ALPHA THROMBIN WITH THE INHIBITOR SDZ 229-357 提交 1998-06-10	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 331–360（30 aa）链 B 364–510（147 aa）链 F 518–622（105 aa）	未记录	R56 5-OXO-6-PHENYLMETHANESULFONYLAMINO-HEXAHYDRO-THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID (3-GUANIDINO-PROPYL)-AMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.3；pH 7.3	分辨率 2.30 Å R-free 0.232
1BMM HUMAN ALPHA-THROMBIN COMPLEXED WITH [S-(R,R)]-4-[(AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY-2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL] METHYL]BUTANAMIDE (BMS-186282) 提交 1995-11-14	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	BM2 S-(R,R)]-4-[AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY -2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL] METHYL]BUTANAMIDE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.60 Å
1BMN HUMAN ALPHA-THROMBIN COMPLEXED WITH [S-(R,R)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXAMIDE (BMS-189090) 提交 1995-11-14	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	BM9 [S-(R,R)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-3-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXA MIDE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.80 Å
1BTH STRUCTURE OF THROMBIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR 提交 1996-12-03	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	突变：E192Q 突变：E192Q	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 R-free 0.271
1BTH STRUCTURE OF THROMBIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR 提交 1996-12-03	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 J 328–363（36 aa）链 K 364–622（259 aa）	突变：E192Q 突变：E192Q	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 R-free 0.271
1C1U RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：HEAVY CHAIN 链 L 328–363（36 aa）片段：LIGHT CHAIN	未记录	ZN ZINC ION × 1 NA SODIUM ION × 1 BAI (5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.2；THROMBIN WAS PURCHASED FROM HAEMATOLOGIC TECHNOLOGIES, INC. AND ACETYL-HIRUDIN FROM BACHEM. THROMBIN WAS PREPARED AS DESCRIBED (SKRZPCZAK-JANKUN ET AL., 1991) .THROMBIN (1.0 MG/ML IN 50 MM HEPES, 50 % GLYCEROL, PH 7.0) WAS INCUBATED WITH 1.0 MM ACETYL-HIRUDIN, 1.0 MM HEMI-BABIM, 1.0 MM ZN+2 FOR 1 HR AT 4 DEG C. GLYCEROL WAS REMOVED AND THE COMPLEX CONCENTRATED WITH A CENTRICON 10 ( AMICON) TO 8.6 MG/ML AS DETERMINED BY THE BIORAD PROTEIN ASSAY KIT USING BOVINE SERUM ALBUMIN. CRYSTALS OF THROMBIN-ACETYL-HIRUDIN-HEMI-BABIM-ZN+2 WERE GROWN IN HANGING DROPS BY VAPOR DIFFUSION AFTER STREAK SEEDING. THE DROPS WERE MADE FROM 5 MICROLITERS OF COMPLEX AND 5 MICROLITERS OF RESERVOIR SOLUTION ( 0.10 M TRIS,0.50 M NACL, 22 % (BY VOLUME) PEG 4K, PH 8.20).	分辨率 1.75 Å R-free 0.235
1C1V RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	ZN ZINC ION × 2 NA SODIUM ION × 1 BAB BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；THROMBIN WAS PURCHASED FROM HAEMATOLOGIC TECHNOLOGIES, INC. AND ACETYL-HIRUDIN FROM BACHEM. THROMBIN WAS PREPARED AS DESCRIBED (SKRZPCZAK-JANKUN ET AL., 1991) .THROMBIN (1.0 MG/ML IN 50 MM HEPES, 50 % GLYCEROL, PH 7.0) WAS INCUBATED WITH 1.0 MM ACETYL-HIRUDIN, 1.0 MM BABIM, 1.0 MM ZN+2 FOR 1 HR AT 4 DEG C. GLYCEROL WAS REMOVED AND THE COMPLEX CONCENTRATED WITH A CENTRICON 10 (AMICON) TO 8.6 MG/ML AS DETERMINED BY THE BIORAD PROTEIN ASSAY KIT USING BOVINE SERUM ALBUMIN. CRYSTALS OF THROMBIN-ACETYL-HIRUDIN-BABIM-ZN+2 WERE GROWN IN HANGING DROPS BY VAPOR DIFFUSION AFTER STREAK SEEDING. THE DROPS WERE MADE FROM 5 MICROLITERS OF COMPLEX AND 5 MICROLITERS OF RESERVOIR SOLUTION (0.10 M TRIS, 0.50 M NACL, 22 % (BY VOLUME) PEG 4K, PH 7.00). A CO-CRYSTAL WAS SOAKED IN 30 % PEG 4K,0.50 M NACL, 0.10 M TRIS, 46 MM ZN+2, PH 7.00, SATURATED IN BABIM AND CONTAINING 2 % DMSO.	分辨率 1.98 Å R-free 0.248
1C1W RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES 提交 1999-07-21	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	ZN ZINC ION × 3 NA SODIUM ION × 1 BAH BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 9；THROMBIN WAS PURCHASED FROM HAEMATOLOGIC TECHNOLOGIES, INC. AND ACETYL-HIRUDIN FROM BACHEM. THROMBIN WAS PREPARED AS DESCRIBED (SKRZPCZAK-JANKUN ET AL., 1991) .THROMBIN (1.0 MG/ML IN 50 MM HEPES, 50 % GLYCEROL, PH 7.0) WAS INCUBATED WITH 1.0 MM ACETYL-HIRUDIN, 1.0 MM BABIM, 1.0 MM ZN+2 FOR 1 HR AT 4 DEG C. GLYCEROL WAS REMOVED AND THE COMPLEX CONCENTRATED WITH A CENTRICON 10 (AMICON) TO 8.6 MG/ML AS DETERMINED BY THE BIORAD PROTEIN ASSAY KIT USING BOVINE SERUM ALBUMIN. CRYSTALS OF THROMBIN-ACETYL-HIRUDIN-BABIM-ZN+2 WERE GROWN IN HANGING DROPS BY VAPOR DIFFUSION AFTER STREAK SEEDING. THE DROPS WERE MADE FROM 5 MICROLITERS OF COMPLEX AND 5 MICROLITERS OF RESERVOIR SOLUTION (0.10 M TRIS, 0.50 M NACL, 22 % (BY VOLUME) PEG 4K, PH 7.00). A CO-CRYSTAL WAS SOAKED IN 30 % PEG 4K,0.50 M NACL, 0.10 M TRIS, 0.4 MM ZN+2, PH 9.00, SATURATED IN KETO- BABIM AND CONTAINING 2 % DMSO.	分辨率 1.90 Å R-free 0.242
1C4U SELECTIVE NON ELECTROPHILIC THROMBIN INHIBITORS WITH CYCLOHEXYL MOIETIES. 提交 1999-09-25	配体/离子不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 1 328–363（36 aa）链 2 364–622（259 aa）	未记录	NA SODIUM ION × 1 IH1 2-[2-(4-BROMO-BENZENESULFONYL)-ETHYL]-1-3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；pH 7.5	分辨率 2.10 Å
1C4V SELECTIVE NON ELECTROPHILIC THROMBIN INHIBITORS WITH CYCLOHEXYL MOIETIES. 提交 1999-09-25	配体/离子不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 1 328–363（36 aa）链 2 364–622（259 aa）	未记录	NA SODIUM ION × 1 IH2 2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO [1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；pH 7.5	分辨率 2.10 Å
1C4Y SELECTIVE NON-ELECTROPHILIC THROMBIN INHIBITORS 提交 1999-10-05	配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 1 328–363（36 aa）链 2 364–622（259 aa）	未记录	IH3 2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID [4-(2-AMINO-3H-IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；pH 7.5	分辨率 2.70 Å
1C5L STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR 提交 1999-12-22	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：HEAVY CHAIN 链 L 328–363（36 aa）片段：LIGHT CHAIN	未记录	NA SODIUM ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 8.2；Thrombin was purchased from Haematologic Technologies, Inc. and acetyl-hirudin from Bachem. Thrombin was prepared as described (Skrzpczak-Jankun et al., 1991). Thrombin (1.0 mg/ml in 50 mM HEPES, 50 % glycerol, pH 7.0) was incubated with 1.0 mM acetyl-hirudin for 1 hr at 4 deg C. Glycerol was removed and the complex concentrated with a centricon 10 (Amicon) to about 10 mg/ml as determined by the Biorad protein assay kit using bovine serum albumin. Crystals of thrombin-acetyl-hirudin were grown in hanging drops by vapor diffusion after streak seeding. The drops were made from 5 microliters of complex and 5 microliters of reservoir solution (0.10 M Tris, 0.50 M NaCl, 22 % (by volume) PEG 4K, pH 8.20)., VAPOR DIFFUSION	分辨率 1.47 Å R-free 0.236
1C5N STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR 提交 1999-12-22	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 1 CA CALCIUM ION × 1 ESI 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；Thrombin was purchased from Haematologic Technologies, Inc. and acetyl-hirudin from Bachem. Thrombin was prepared as described (Skrzpczak-Jankun et al., 1991). Thrombin (1.0 mg/ml in 50 mM HEPES, 50 % glycerol, pH 7.0) was incubated with 1.0 mM acetyl-hirudin, 10 mM 4-iodobenzo[b]thiophene-2-carboxamidine for 1 hr at 4 deg C. Glycerol was removed andthe complex concentrated with a centricon 10 (Amicon) to about 10 mg/ml as determined by the Biorad protein assay kit using bovine serum albumin. Crystals of thrombin-acetyl-hirudin-4-iodobenzo[b]thiophene-2-carboxamidine were grown in hanging drops by vapor diffusion after streak seeding. The drops were made from 5 microliters of complex and 5 microliters of reservoir solution (0.10 M Tris,0.50 M NaCl, 22 % (by volume) PEG 4K, pH 7.5)., VAPOR DIFFUSION	分辨率 1.50 Å R-free 0.246
1C5O STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR 提交 1999-12-22	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：HEAVY CHAIN 链 L 328–363（36 aa）片段：LIGHT CHAIN	未记录	NA SODIUM ION × 1 BEN BENZAMIDINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；Thrombin was purchased from Haematologic Technologies, Inc. and acetyl-hirudin from Bachem. Thrombin was prepared as described (Skrzpczak-Jankun et al., 1991). Thrombin (1.0 mg/ml in 50 mM HEPES, 50 % glycerol, pH 7.0) was incubated with 1.0 mM acetyl-hirudin, 10 mM benzamidine for 1 hr at 4 deg C. Glycerol was removed and the complex concentrated with a centricon 10 (Amicon) to about 10 mg/ml as determined by the Biorad protein assay kit using bovine serum albumin. Crystals of thrombin-acetyl-hirudin-benzmaidine were grown in hanging drops by vapor diffusion after streak seeding. The drops were made from 5 microliters of complex and 5 microliters of reservoir solution (0.10 M Tris, 0.50 M NaCl, 22 % (by volume) PEG 4K, pH 7.5)., VAPOR DIFFUSION	分辨率 1.90 Å R-free 0.262
1CA8 Thrombin inhibitors with rigid tripeptidyl aldehydes 提交 1998-04-27	构建体不同配体/离子不同实验环境不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：Peptidase S1 domain 链 B 364–622（259 aa）	未记录	NA SODIUM ION × 2 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；CRYSTALLIZED FROM 25% PEG 8K, 0.1M SOD, PHOSPHATE BUFFER PH 7.5, MACROSEEDED TO MAKE LARGER CRYSTALS	分辨率 2.10 Å
1CGL Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor 提交 1993-11-17	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 101–269（169 aa）	未记录	ZN ZINC ION × 2 CA CALCIUM ION × 1 0ED N-[(1S)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-L-leucyl-N-(2-morpholin-4-ylethyl)-L-phenylalaninamide × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.40 Å
1CGL Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor 提交 1993-11-17	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 101–269（169 aa）	未记录	ZN ZINC ION × 2 CA CALCIUM ION × 1 0ED N-[(1S)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-L-leucyl-N-(2-morpholin-4-ylethyl)-L-phenylalaninamide × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.40 Å
1D3D CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZOTHIOPHENE INHIBITOR 4 提交 1999-09-29	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 333–360（28 aa）链 B 364–620（257 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 BZT 3-(3-BROMO-4-PYRROLIDIN-1-YLMETHYL-BENZYL)-2-[4-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-BENZO[B]THIOPHEN-6-OL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；30% PEG 3400, 100MM SODIUM CITRATE, 200 MM AMMONIUM ACETATE, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.04 Å R-free 0.223
1D3P CRYSTAL STRUCTURE OF HUMAN APLHA-THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 3 提交 1999-09-30	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：LIGHT CHAIN 链 B 364–622（259 aa）片段：HEAVY CHAIN	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 BT3 3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHEN-6-OL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；30% PEG3400; 100mM sodium citrate; 200 mM ammonium acetate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.10 Å R-free 0.214
1D3Q CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 2 提交 1999-09-30	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 BT2 3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHENE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；30% PEG3400; 100 mM sodium citrate; 200 mM ammonium acetate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.90 Å R-free 0.228
1D3T CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 1 提交 1999-09-30	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：LIGHT CHAIN 链 B 364–622（259 aa）片段：HEAVY CHAIN	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 BT1 {2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-BENZO[B]THIOPHEN-3-YL}-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-METHANONE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；30% PEG 3400; 100 mM sodium citrate; 200 mM ammonium acetate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 3.00 Å R-free 0.235
1D4P CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH 5-AMIDINOINDOLE-4-BENZYLPIPERIDINE INHIBITOR 提交 1999-10-04	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：LIGHT CHAIN 链 B 364–622（259 aa）片段：HEAVY CHAIN	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 BPP 2-(4-benzylpiperidine-1-carbonyl)-1H-indole-5-carboximidamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.6；277 K；30% PEG 4000, 150 mM sodium citrate, 200 mM ammonium acetate, pH 5.6, VAPOR DIFFUSION, temperature 277K	分辨率 2.07 Å R-free 0.231
1D6W STRUCTURE OF THROMBIN COMPLEXED WITH SELECTIVE NON-ELECTROPHILIC INHIBITORS HAVING CYCLOHEXYL MOIETIES AT P1 提交 1999-10-15	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 334–620（287 aa）	未记录	NA SODIUM ION × 2 00R (5S)-N-[trans-4-(2-amino-1H-imidazol-5-yl)cyclohexyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；298 K；24% PEG 8000, 0.1M Sodium Phosphate buffer, Protein concentration: 3.5 mg/ml, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å
1D9I STRUCTURE OF THROMBIN COMPLEXED WITH SELECTIVE NON-ELECTOPHILIC INHIBITORS HAVING CYCLOHEXYL MOIETIES AT P1 提交 1999-10-27	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 334–621（288 aa）	未记录	NA SODIUM ION × 2 00P (5S)-N-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；298 K；24% PEG 8000 in 0.1M Sodium Phosphate Buffer, protein concentration: 3.5 mg/ml, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.30 Å
1DE7 INTERACTION OF FACTOR XIII ACTIVATION PEPTIDE WITH ALPHA-THROMBIN: CRYSTAL STRUCTURE OF THE ENZYME-SUBSTRATE COMPLEX 提交 1999-11-13	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5.5；PEG8000, SODIUM CHLORIDE, SODIUM CITRATE, pH 5.50	分辨率 2.00 Å R-free 0.257
1DE7 INTERACTION OF FACTOR XIII ACTIVATION PEPTIDE WITH ALPHA-THROMBIN: CRYSTAL STRUCTURE OF THE ENZYME-SUBSTRATE COMPLEX 提交 1999-11-13	配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 J 328–363（36 aa）链 K 364–622（259 aa）	未记录	NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5.5；PEG8000, SODIUM CHLORIDE, SODIUM CITRATE, pH 5.50	分辨率 2.00 Å R-free 0.257
1DIT COMPLEX OF A DIVALENT INHIBITOR WITH THROMBIN 提交 1995-07-20	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 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
1DM4 SER195ALA MUTANT OF HUMAN THROMBIN COMPLEXED WITH FIBRINOPEPTIDE A (7-16) 提交 1999-12-13	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–362（35 aa）链 B 363–622（260 aa）	突变：S195A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；1.4M SODIUM CITRATE, 1-2% ISOPROPANOL, 0.1M HEPES BUFFER, pH 7.50	分辨率 2.50 Å
1DM4 SER195ALA MUTANT OF HUMAN THROMBIN COMPLEXED WITH FIBRINOPEPTIDE A (7-16) 提交 1999-12-13	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 6 PDB 声明：hexameric	链 A 328–362（35 aa）链 B 363–622（260 aa）	突变：S195A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；1.4M SODIUM CITRATE, 1-2% ISOPROPANOL, 0.1M HEPES BUFFER, pH 7.50	分辨率 2.50 Å
1DOJ Crystal structure of human alpha-thrombin*RWJ-51438 complex at 1.7 A 提交 1999-12-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 328–622（295 aa）	未记录	1Z0 N-methyl-D-phenylalanyl-N-{(1S)-4-carbamimidamido-1-[(6-carboxy-1,3-benzothiazol-2-yl)carbonyl]butyl}-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.75 sodium acetate, 0.01% (w/v), 20% polyethylene glycol 4000 (w/v), pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K	分辨率 1.70 Å R-free 0.217
1DWB CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS 提交 1992-08-19	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	BEN BENZAMIDINE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 3.16 Å
1DWC CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS 提交 1992-08-19	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	MIT amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 3.00 Å
1DWD CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS 提交 1992-08-19	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	MID 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 3.00 Å
1DWE Crystallographic analysis at 3.0-Angstroms resolution of the binding to human thrombin of four active site-directed inhibitors 提交 1992-08-19	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 3.00 Å
1DX5 Crystal structure of the thrombin-thrombomodulin complex 提交 1999-12-20	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：tetrameric	链 A 328–363（36 aa）链 M 364–622（259 aa）	未记录	FMT FORMIC ACID × 1 CA CALCIUM ION × 1 NA SODIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 0GJ L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；0.1 M NA ACETATE (PH 4.6), 1.8 M NA FORMATE, 0.002 M CA CHLORIDE	分辨率 2.30 Å R-free 0.241
1DX5 Crystal structure of the thrombin-thrombomodulin complex 提交 1999-12-20	配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：tetrameric	链 B 328–363（36 aa）链 N 364–622（259 aa）	未记录	FMT FORMIC ACID × 1 CA CALCIUM ION × 1 NA SODIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 0GJ L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；0.1 M NA ACETATE (PH 4.6), 1.8 M NA FORMATE, 0.002 M CA CHLORIDE	分辨率 2.30 Å R-free 0.241
1DX5 Crystal structure of the thrombin-thrombomodulin complex 提交 1999-12-20	配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：tetrameric	链 C 328–363（36 aa）链 O 364–622（259 aa）	未记录	FMT FORMIC ACID × 1 CA CALCIUM ION × 1 NA SODIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 0GJ L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；0.1 M NA ACETATE (PH 4.6), 1.8 M NA FORMATE, 0.002 M CA CHLORIDE	分辨率 2.30 Å R-free 0.241
1DX5 Crystal structure of the thrombin-thrombomodulin complex 提交 1999-12-20	配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：tetrameric	链 D 328–363（36 aa）链 P 364–622（259 aa）	未记录	FMT FORMIC ACID × 2 CA CALCIUM ION × 1 NA SODIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 0GJ L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；0.1 M NA ACETATE (PH 4.6), 1.8 M NA FORMATE, 0.002 M CA CHLORIDE	分辨率 2.30 Å R-free 0.241
1E0F Crystal structure of the human alpha-thrombin-haemadin complex: an exosite II-binding inhibitor 提交 2000-03-27	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 9 PDB 声明：nonameric	链 A 328–363（36 aa）链 B 328–363（36 aa）链 C 328–363（36 aa）链 D 364–622（259 aa）片段：NO 链 E 364–622（259 aa）片段：NO 链 F 364–622（259 aa）片段：NO	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 5.56；VAPOUR-DIFFUSION SITTING DROP,0.1 M NA CITRATE PH 5.56 14% (W/V) PEG4000, 12.5% (V/V) ISOPROPANOL	分辨率 3.10 Å R-free 0.255
1EB1 Complex structure of human thrombin with N-methyl-arginine inhibitor 提交 2001-07-18	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 H 364–620（257 aa）链 L 334–360（27 aa）片段：CATALYTIC DOMAIN RESIDUES 364-620	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 8；PH 8.00	分辨率 1.80 Å R-free 0.220
1EOJ Design of P1' and P3' residues of trivalent thrombin inhibitors and their crystal structures 提交 2000-03-23	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 332–620（289 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 5.5；291 K；PEG 4000, Potassium sulfate, citric acid pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.10 Å R-free 0.233
1EOL Design of P1' and P3' residues of trivalent thrombin inhibitors and their crystal structures 提交 2000-03-23	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 332–620（289 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 5.5；291 K；PEG 4000, Potassium sulfate, citric acid pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.10 Å R-free 0.240
1FPC ACTIVE SITE MIMETIC INHIBITION OF THROMBIN 提交 1994-10-16	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	0ZI amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.30 Å
1FPH THE INTERACTION OF THROMBIN WITH FIBRINOGEN: A STRUCTURAL BASIS FOR ITS SPECIFICITY 提交 1993-04-21	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 H 364–622（259 aa）链 L 328–363（36 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 2.50 Å
1G30 THROMBIN INHIBITOR COMPLEX 提交 2000-10-23	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：LIGHT CHAIN 链 B 364–622（259 aa）片段：HEAVY CHAIN	未记录	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 2.00 Å R-free 0.264
1G32 THROMBIN INHIBITOR COMPLEX 提交 2000-10-23	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：LIGHT CHAIN 链 B 364–622（259 aa）片段：HEAVY CHAIN	未记录	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 0.289
1G37 CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN COMPLEXED WITH BCH-10556 AND EXOSITE-DIRECTED PEPTIDE 提交 2000-10-23	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 334–620（287 aa）	未记录	110 3-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-3-[(4-OXO-2-PHENYLMETHANESULFONYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；296 K；PEG 8000, sodium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP at 296K, temperature 296.0K	分辨率 2.00 Å R-free 0.248
1GHV A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE 提交 2001-01-22	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）片段：HEAVY CHAIN, RESIDUES 364-620 链 L 328–363（36 aa）片段：LIGHT CHAIN, RESIDUES 328-363	未记录	NA SODIUM ION × 1 120 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 7.8；298 K；PEG 4000, NaCl, pH 7.8, vapor diffusion, temperature 298K	分辨率 1.85 Å R-free 0.235
1GHW A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE 提交 2001-01-22	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）片段：HEAVY CHAIN, RESIDUES 364-620 链 L 328–363（36 aa）片段：LIGHT CHAIN, RESIDUES 328-363	未记录	NA SODIUM ION × 1 BMZ 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.3；298 K；PEG 4000, NaCl, pH 7.3, vapor diffusion, temperature 298K	分辨率 1.75 Å R-free 0.234
1GHX A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE 提交 2001-01-22	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）片段：HEAVY CHAIN, RESIDUES 364-620 链 L 328–363（36 aa）片段：LIGHT CHAIN, RESIDUES 328-363	未记录	ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 BMZ 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.3；298 K；PEG 4000, NaCl (soak at pH 8.2), pH 7.3, vapor diffusion, temperature 298K	分辨率 1.65 Å R-free 0.255
1GHY A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE 提交 2001-01-22	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）片段：HEAVY CHAIN, RESIDUES 364-620 链 L 328–363（36 aa）片段：LIGHT CHAIN, RESIDUES 328-363	未记录	ZN ZINC ION × 3 NA SODIUM ION × 1 CA CALCIUM ION × 1 121 2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 8.2；298 K；PEG 4000, NaCl, pH 8.2, vapor diffusion, temperature 298K	分辨率 1.85 Å R-free 0.220
1GHY A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE 提交 2001-01-22	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 6 PDB 声明：hexameric	链 H 364–620（257 aa）片段：HEAVY CHAIN, RESIDUES 364-620 链 L 328–363（36 aa）片段：LIGHT CHAIN, RESIDUES 328-363	未记录	ZN ZINC ION × 6 NA SODIUM ION × 2 CA CALCIUM ION × 2 121 2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 8.2；298 K；PEG 4000, NaCl, pH 8.2, vapor diffusion, temperature 298K	分辨率 1.85 Å R-free 0.220
1GJ4 SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN 提交 2001-04-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）片段：HEAVY CHAIN, RESIDUES 364-620 链 L 328–363（36 aa）片段：LIGHT CHAIN, RESIDUES 328-363	未记录	NA SODIUM 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 7.8；298 K；PEG 4000, NaCl (soak at pH 9.0), vapor diffusion at 298K, pH 7.8	分辨率 1.81 Å R-free 0.236
1GJ5 SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN 提交 2001-04-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）片段：HEAVY CHAIN, RESIDUES 364-620 链 L 328–363（36 aa）片段：LIGHT CHAIN, RESIDUES 328-363	未记录	NA SODIUM ION × 1 130 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.3；298 K；PEG 4000, NaCl (soak at pH 8.68), vapor diffusion at 298K, pH 7.3	分辨率 1.73 Å R-free 0.233
1H8D X-ray structure of the human alpha-thrombin complex with a tripeptide phosphonate inhibitor. 提交 2001-02-01	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–510（147 aa）片段：THROMBIN HEAVY CHAIN 链 H 518–622（105 aa）片段：THROMBIN HEAVY CHAIN 链 L 333–361（29 aa）片段：THROMBIN LIGHT CHAIN	未记录	PHW N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-{(1S,3E)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.2；20% PEG 8K, 0.05MM NAHPO4, 0.1M NACL, PH 7.20	分辨率 1.40 Å R-free 0.220
1H8I X-ray crystal structure of human alpha-thrombin with a tripeptide phosphonate inhibitor. 提交 2001-02-08	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–511（148 aa）片段：THROMBIN HEAVY CHAIN 链 H 518–622（105 aa）片段：THROMBIN HEAVY CHAIN 链 L 334–360（27 aa）片段：THROMBIN LIGHT CHAIN	未记录	PHV N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-[(1S)-4-methoxy-1-phosphonobutyl]-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.2；PH 7.20	分辨率 1.75 Å R-free 0.235
1HAG THE ISOMORPHOUS STRUCTURES OF PRETHROMBIN2, HIRUGEN-AND PPACK-THROMBIN: CHANGES ACCOMPANYING ACTIVATION AND EXOSITE BINDING TO THROMBIN 提交 1994-06-27	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 E 328–622（295 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.00 Å
1HAH THE ISOMORPHOUS STRUCTURES OF PRETHROMBIN2, HIRUGEN-AND PPACK-THROMBIN: CHANGES ACCOMPANYING ACTIVATION AND EXOSITE BINDING TO THROMBIN 提交 1994-06-27	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.30 Å
1HAI THE ISOMORPHOUS STRUCTURES OF PRETHROMBIN2, HIRUGEN-AND PPACK-THROMBIN: CHANGES ACCOMPANYING ACTIVATION AND EXOSITE BINDING TO THROMBIN 提交 1994-06-27	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.40 Å
1HAO COMPLEX OF HUMAN ALPHA-THROMBIN WITH A 15MER OLIGONUCLEOTIDE GGTTGGTGTGGTTGG (BASED ON NMR MODEL OF DNA) 提交 1995-10-03	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）片段：RESIDUES 364-622 链 L 328–363（36 aa）片段：RESIDUES 328-363	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.80 Å
1HAP COMPLEX OF HUMAN ALPHA-THROMBIN WITH A 15MER OLIGONUCLEOTIDE GGTTGGTGTGGTTGG (BASED ON X-RAY MODEL OF DNA) 提交 1995-10-03	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）片段：residues 364-622 链 L 328–363（36 aa）片段：residues 328-363	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.80 Å
1HBT Human alpha-thrombin complexed with a peptidyl pyridinium methyl ketone containing bivalent inhibitor 提交 1995-04-06	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 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
1HDT STRUCTURE OF A RETRO-BINDING PEPTIDE INHIBITOR COMPLEXED WITH HUMAN ALPHA-THROMBIN 提交 1994-07-25	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 331–363（33 aa）	未记录	0E7 methyl N-(4-carbamimidamidobutanoyl)-L-phenylalanyl-L-allothreonyl-L-phenylalaninate × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.60 Å
1HGT STRUCTURE OF THE HIRUGEN AND HIRULOG 1 COMPLEXES OF ALPHA-THROMBIN 提交 1991-06-03	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 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 2.20 Å
1HLT THE STRUCTURE OF A NONADECAPEPTIDE OF THE FIFTH EGF DOMAIN OF THROMBOMODULIN COMPLEXED WITH THROMBIN 提交 1994-08-28	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 5 PDB 声明：pentameric	链 H 364–622（259 aa）链 J 334–360（27 aa）链 K 364–622（259 aa）链 L 334–360（27 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 3.00 Å
1HUT THE STRUCTURE OF ALPHA-THROMBIN INHIBITED BY A 15-MER SINGLE-STRANDED DNA APTAMER 提交 1993-05-27	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）片段：RESIDUES 364-622 链 L 328–363（36 aa）片段：RESIDUES 328-363	未记录	0G7 D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.90 Å
1HXE SERINE PROTEASE 提交 1995-12-07	配体/离子不同实验环境不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	RB RUBIDIUM ION × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.10 Å
1HXF HUMAN THROMBIN COMPLEX WITH HIRUDIN VARIANT 提交 1996-09-09	配体/离子不同实验环境不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 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 2.10 Å
1IHS CRYSTAL STRUCTURE OF THE COMPLEX OF HUMAN ALPHA-THROMBIN AND NON-HYDROLYZABLE BIFUNCTIONAL INHIBITORS, HIRUTONIN-2 AND HIRUTONIN-6 提交 1993-08-04	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 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
1IHT CRYSTAL STRUCTURE OF THE COMPLEX OF HUMAN ALPHA-THROMBIN AND NON-HYDROLYZABLE BIFUNCTIONAL INHIBITORS, HIRUTONIN-2 AND HIRUTONIN-6 提交 1993-08-04	配体/离子不同实验环境不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 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 2.10 Å
1JMO Crystal Structure of the Heparin Cofactor II-S195A Thrombin Complex 提交 2001-07-19	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 363–622（260 aa）片段：heavy chain 链 L 315–362（48 aa）片段：light chain	突变：S195A	NA SODIUM ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；NH4Cl, PEG 3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP at 298K	分辨率 2.20 Å R-free 0.211
1JOU Crystal Structure of Native S195A Thrombin with an Unoccupied Active Site 提交 2001-07-31	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 315–363（49 aa）片段：Factor Xa cleavage product light chain 链 B 364–622（259 aa）片段：Factor Xa cleavage product heavy chain	突变：S195A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1 GOL GLYCEROL × 4 ACY ACETIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；ammonium acetate, sodium citrate, PEG 4000, glycerol, pH 5.6, VAPOR DIFFUSION, HANGING DROP at 298K, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	分辨率 1.80 Å R-free 0.245
1JOU Crystal Structure of Native S195A Thrombin with an Unoccupied Active Site 提交 2001-07-31	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 315–363（49 aa）片段：Factor Xa cleavage product light chain 链 D 364–622（259 aa）片段：Factor Xa cleavage product heavy chain	突变：S195A	NA SODIUM ION × 1 ACY ACETIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；ammonium acetate, sodium citrate, PEG 4000, glycerol, pH 5.6, VAPOR DIFFUSION, HANGING DROP at 298K, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	分辨率 1.80 Å R-free 0.245
1JOU Crystal Structure of Native S195A Thrombin with an Unoccupied Active Site 提交 2001-07-31	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 E 315–363（49 aa）片段：Factor Xa cleavage product light chain 链 F 364–622（259 aa）片段：Factor Xa cleavage product heavy chain	突变：S195A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1 ACY ACETIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；ammonium acetate, sodium citrate, PEG 4000, glycerol, pH 5.6, VAPOR DIFFUSION, HANGING DROP at 298K, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	分辨率 1.80 Å R-free 0.245
1JWT CRYSTAL STRUCTURE OF THROMBIN IN COMPLEX WITH A NOVEL BICYCLIC LACTAM INHIBITOR 提交 2001-09-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 328–622（295 aa）片段：Residues 328-622	未记录	BLI 4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.50 Å R-free 0.301
1K21 HUMAN THROMBIN-INHIBITOR COMPLEX 提交 2001-09-26	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：THROMBIN HEAVY CHAIN, Residues 364-622 链 L 328–363（36 aa）片段：THROMBIN LIGHT CHAIN, Residues 323-363	未记录	NA SODIUM ION × 2 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 1.86 Å R-free 0.256
1K22 HUMAN THROMBIN-INHIBITOR COMPLEX 提交 2001-09-26	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：THROMBIN HEAVY CHAIN, Residues 364-622 链 L 328–363（36 aa）片段：THROMBIN LIGHT CHAIN, Residues 323-363	未记录	NA SODIUM ION × 2 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 1.93 Å R-free 0.214
1KTS Thrombin Inhibitor Complex 提交 2002-01-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：light chain 链 B 364–622（259 aa）片段：heavy chain	未记录	C24 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.40 Å R-free 0.309
1KTT Thrombin inhibitor complex 提交 2002-01-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：light chain 链 B 364–622（259 aa）片段：heavy chain	未记录	C02 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.10 Å R-free 0.259
1LHC HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROARG-OH 提交 1994-12-27	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	DP7 AC-(D)PHE-PRO-BOROARG-OH × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.95 Å
1LHD HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROLYS-OH 提交 1994-12-27	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	DI2 AC-(D)PHE-PRO-BOROLYS-OH × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.35 Å
1LHE HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH 提交 1994-12-27	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	DI3 AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.25 Å
1LHF HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BORO-HOMOLYS-OH 提交 1994-12-27	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	DI4 AC-(D)PHE-PRO-BOROHOMOLYS-OH × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.40 Å
1LHG HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROORNITHINE-OH 提交 1994-12-27	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	DI5 AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.25 Å
1MH0 Crystal structure of the anticoagulant slow form of thrombin 提交 2002-08-18	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 334–620（287 aa）	突变：R77aA	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.6；298 K；PEG 2000-Monomethyl ether, Tris-Cl, pH 7.6, VAPOR DIFFUSION, HANGING DROP at 298K	分辨率 2.80 Å R-free 0.275
1MH0 Crystal structure of the anticoagulant slow form of thrombin 提交 2002-08-18	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 334–620（287 aa）	突变：R77aA	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.6；298 K；PEG 2000-Monomethyl ether, Tris-Cl, pH 7.6, VAPOR DIFFUSION, HANGING DROP at 298K	分辨率 2.80 Å R-free 0.275
1MU6 Crystal Structure of Thrombin in Complex with L-378,622 提交 2002-09-23	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：light chain 链 B 364–622（259 aa）片段：heavy chain	未记录	CDA 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；295 K；pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.99 Å R-free 0.235
1MU8 thrombin-hirugen_l-378,650 提交 2002-09-23	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：light chain 链 B 364–622（259 aa）片段：heavy chain	未记录	CDB 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；295 K；pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.00 Å
1MUE Thrombin-Hirugen-L405,426 提交 2002-09-23	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：light chain 链 B 364–622（259 aa）片段：heavy chain	未记录	CDD 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP	分辨率 2.00 Å
1NM6 thrombin in complex with selective macrocyclic inhibitor at 1.8A 提交 2003-01-09	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 335–621（287 aa）	未记录	L86 (11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENI COSINE-3,24-DIONE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；298 K；PEG 8000, sodium phosphate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.80 Å R-free 0.238
1NO9 Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: molecular and X-ray crystallographic studies. 提交 2003-01-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：Heavy Chain 链 L 328–363（36 aa）片段：Light Chain	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 4ND N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；PEG 4000, Sodium Chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.90 Å R-free 0.204
1NRN CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES 提交 1994-01-18	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 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 3.10 Å
1NRO CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES 提交 1994-01-18	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 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 3.10 Å
1NRP CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES 提交 1994-01-18	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 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 3.00 Å
1NRQ CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES 提交 1994-01-18	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 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 3.50 Å
1NRR Crystallographic structures of Thrombin complexed with Thrombin receptor peptides: Existence of expected and novel binding modes 提交 1994-01-18	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：RESIDUES 364-622 链 L 328–363（36 aa）片段：RESIDUES 328-363	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.40 Å
1NRS CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES 提交 1994-01-18	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 H 364–622（259 aa）链 L 328–363（36 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 2.40 Å
1NT1 thrombin in complex with selective macrocyclic inhibitor 提交 2003-01-28	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 335–621（287 aa）	未记录	T76 (6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；298 K；PEG 8000, sodium phosphate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å
1NU7 Staphylocoagulase-Thrombin Complex 提交 2003-01-31	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 332–359（28 aa）片段：UNP residues 332-359 链 B 364–622（259 aa）片段：UNP residues 364-622	未记录	0ZJ N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 HG MERCURY (II) ION × 2 IMD IMIDAZOLE × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；100mM imidazole, 200mM sodium formate, 12%(w/v) PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.20 Å R-free 0.249
1NU7 Staphylocoagulase-Thrombin Complex 提交 2003-01-31	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 E 332–359（28 aa）片段：UNP residues 332-359 链 F 364–622（259 aa）片段：UNP residues 364-622	未记录	0ZJ N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 HG MERCURY (II) ION × 2 IMD IMIDAZOLE × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；100mM imidazole, 200mM sodium formate, 12%(w/v) PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.20 Å R-free 0.249
1NU9 Staphylocoagulase-Prethrombin-2 complex 提交 2003-01-31	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 332–622（291 aa）	未记录	0ZJ N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 HG MERCURY (II) ION × 2 IMD IMIDAZOLE × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；100mM imidazole, 200mM sodium formate, 12%(w/v) PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.20 Å R-free 0.253
1NU9 Staphylocoagulase-Prethrombin-2 complex 提交 2003-01-31	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 332–622（291 aa）	未记录	0ZJ N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 HG MERCURY (II) ION × 2 IMD IMIDAZOLE × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；100mM imidazole, 200mM sodium formate, 12%(w/v) PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.20 Å R-free 0.253
1NY2 Human alpha thrombin inhibited by RPPGF and hirugen 提交 2003-02-11	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 1 328–363（36 aa）片段：light chain A 链 2 364–622（259 aa）片段：heavy chain B	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 4.6；298 K；PEG 4000, ammonium sulphate, sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 25K, temperature 298K	分辨率 2.30 Å
1NZQ D-Phe-Pro-Arg-Type Thrombin Inhibitor 提交 2003-02-19	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：heavy chain 链 L 328–363（36 aa）片段：light chain	未记录	162 (2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；PEG 400, Na-acetate, Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K	分辨率 2.18 Å R-free 0.242
1O0D Human Thrombin complexed with a d-Phe-Pro-Arg-type Inhibitor and a C-terminal Hirudin derived exo-site inhibitor 提交 2003-02-21	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：heavy chain 链 L 328–363（36 aa）片段：light chain	未记录	163 (2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；PEG 400, Na-acetate, Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K	分辨率 2.44 Å R-free 0.252
1O0D Human Thrombin complexed with a d-Phe-Pro-Arg-type Inhibitor and a C-terminal Hirudin derived exo-site inhibitor 提交 2003-02-21	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 6 PDB 声明：hexameric	链 H 364–622（259 aa）片段：heavy chain 链 L 328–363（36 aa）片段：light chain	未记录	163 (2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；PEG 400, Na-acetate, Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K	分辨率 2.44 Å R-free 0.252
1O2G Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 提交 2003-03-06	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：HEAVY CHAIN, RESIDUES 364-620 链 L 328–363（36 aa）片段：LIGHT CHAIN, RESIDUES 328-363	未记录	NA SODIUM 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 6.5；298 K；2-propanol, PEG 4000, pH 6.5, vapor diffusion at 298 K, pH 6.50	分辨率 1.58 Å R-free 0.250
1O5G Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) 提交 2003-09-09	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：HEAVY CHAIN, RESIDUES 364-620 链 L 328–363（36 aa）片段：LIGHT CHAIN, RESIDUES 328-363	未记录	NA SODIUM ION × 1 CA CALCIUM 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 7.5；298 K；2-propanol, PEG 4000, pH 6.5, vapor diffusion at 298 K, pH 7.50	分辨率 1.75 Å R-free 0.238
1OOK Crystal Structure of the Complex of Platelet Receptor GPIb-alpha and Human alpha-Thrombin 提交 2003-03-03	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 328–363（36 aa）片段：THROMBIN A CHAIN 链 B 364–622（259 aa）片段：THROMBIN B CHAIN	未记录	CL CHLORIDE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；PEG 6000, Ammonium Phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K	分辨率 2.30 Å R-free 0.260
1OYT COMPLEX OF RECOMBINANT HUMAN THROMBIN WITH A DESIGNED FLUORINATED INHIBITOR 提交 2003-04-07	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 1 CA CALCIUM ION × 1 FSN (3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.67 Å R-free 0.205
1P8V CRYSTAL STRUCTURE OF THE COMPLEX OF PLATELET RECEPTOR GPIB-ALPHA AND ALPHA-THROMBIN AT 2.6A 提交 2003-05-07	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 6 PDB 声明：hexameric	链 B 333–361（29 aa）片段：Alpha Thrombin, light chain 链 C 364–621（258 aa）片段：Alpha Thrombin, heavy chain	未记录	MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 DFP DIISOPROPYL PHOSPHONATE × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 6；291 K；14% PEG 400, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K, pH 6.00	分辨率 2.60 Å R-free 0.238
1PPB THE REFINED 1.9 ANGSTROMS CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN: INTERACTION WITH D-PHE-PRO-ARG CHLOROMETHYLKETONE AND SIGNIFICANCE OF THE TYR-PRO-PRO-TRP INSERTION SEGMENT 提交 1991-10-24	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.92 Å
1QBV CRYSTAL STRUCTURE OF THROMBIN COMPLEXED WITH AN GUANIDINE-MIMETIC INHIBITOR 提交 1999-04-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：HEAVY CHAIN 链 L 328–363（36 aa）片段：LIGHT CHAIN	未记录	PPX [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；277.15 K；PEG 8000, phosphate, NaCl, NAN3, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.80 Å
1QHR NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS 提交 1999-05-26	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 1–36（36 aa）片段：LIGHT CHAIN 链 B 364–622（259 aa）片段：HEAVY CHAIN	未记录	157 6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；CRYSTALS WERE GROWN BY MACROSEEDING A SOLUTION OF 100MM HEPES PH 7.0, 22% PEG4K, 200MM NACL. PROTEIN CONCENTRATION OF 5MG/ML.	分辨率 2.20 Å
1QJ1 Novel Covalent Active Site Thrombin Inhibitors 提交 1999-06-21	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：ALPHA THROMBIN LIGHT CHAIN 链 B 364–622（259 aa）片段：ALPHA THROMBIN HEAVY CHAIN	未记录	166 6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；CRYSTALS WERE GROWN BY MACROSEEDING A SOLUTION OF 100MM HEPES PH 7.0, 22% PEG4K, 200MM NACL. PROTEIN CONCENTRATION OF 5MG/ML.	分辨率 2.00 Å
1QJ6 Novel Covalent Active Site Thrombin Inhibitors 提交 1999-06-22	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：ALPHA THROMBIN, RESIDUES 328-363 链 B 364–622（259 aa）片段：ALPHA THROMBIN, RESIDUES 364-622	未记录	167 6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；CRYSTALS WERE GROWN BY MACROSEEDING A SOLUTION OF 100MM HEPES PH 7.0, 22% PEG4K, 200MM NACL. PROTEIN CONCENTRATION OF 5MG/ML.	分辨率 2.20 Å
1QJ7 Novel Covalent Active Site Thrombin Inhibitors 提交 1999-06-22	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：ALPHA THROMBIN, RESIDUES 328-363 链 B 364–622（259 aa）片段：ALPHA THROMBIN, RESIDUES 364-622	未记录	GR1 6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；CRYSTALS WERE GROWN BY MACROSEEDING A SOLUTION OF 100MM HEPES PH 7.0, 22% PEG4K, 200MM NACL. PROTEIN CONCENTRATION OF 5MG/ML.	分辨率 2.20 Å
1QUR HUMAN ALPHA-THROMBIN IN COMPLEX WITH BIVALENT, BENZAMIDINE-BASED SYNTHETIC INHIBITOR 提交 1999-07-02	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）链 L 334–360（27 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 macro seeding；280 K；100 mM Tris/HCl, 300-500 mM NaCl, 22-32% (w/v) PEG 8000, macro seeding, temperature 280K	分辨率 2.00 Å R-free 0.246
1RD3 2.5A Structure of Anticoagulant Thrombin Variant E217K 提交 2003-11-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 328–363（36 aa）片段：Thrombin light chain 链 B 364–622（259 aa）片段：Thrombin heavy chain 链 C 328–363（36 aa）片段：Thrombin light chain 链 D 364–622（259 aa）片段：Thrombin heavy chain	突变：E217K 突变：E217K	PO4 PHOSPHATE ION × 3 GOL GLYCEROL × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；295 K；sodium tris, potassium phosphate, glycerol, PEG 8000, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.50 Å R-free 0.259
1RD3 2.5A Structure of Anticoagulant Thrombin Variant E217K 提交 2003-11-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）片段：Thrombin light chain 链 B 364–622（259 aa）片段：Thrombin heavy chain	突变：E217K	PO4 PHOSPHATE ION × 2 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；295 K；sodium tris, potassium phosphate, glycerol, PEG 8000, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.50 Å R-free 0.259
1RD3 2.5A Structure of Anticoagulant Thrombin Variant E217K 提交 2003-11-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 328–363（36 aa）片段：Thrombin light chain 链 D 364–622（259 aa）片段：Thrombin heavy chain	突变：E217K	PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；295 K；sodium tris, potassium phosphate, glycerol, PEG 8000, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.50 Å R-free 0.259
1RIW Thrombin in complex with natural product inhibitor Oscillarin 提交 2003-11-18	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 328–363（36 aa）链 B 364–510（147 aa）片段：residues 37-183 链 C 518–622（105 aa）片段：residues 185-286	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 OSC (2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-2,5-DIHYDRO-1H-PYRROL-3-YL}ETHYL)-6-HYDROXY-1-{N-[(2S)-2-HYDROXY-3-PHENYLPROPANOYL]PHENYLALANYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；PEG 8000, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.04 Å R-free 0.232
1SB1 Novel Non-Covalent Thrombin Inhibitors Incorporating P1 4,5,6,7-Tetrahydrobenzothiazole Arginine Side Chain Mimetics 提交 2004-02-09	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）片段：heavy chain, residues 364-621 链 L 333–361（29 aa）片段：light chain, residues 333-361	未记录	NA SODIUM ION × 2 165 N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.90 Å R-free 0.224
1SFQ Fast form of thrombin mutant R(77a)A bound to PPACK 提交 2004-02-20	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）片段：thrombin light chain (A) 链 B 364–622（259 aa）片段：thrombin heavy chain (B)	突变：R(77a)A	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.6；293 K；PEG monomethyl ether 2000, Bis-Tris, sodium chloride, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.91 Å R-free 0.221
1SFQ Fast form of thrombin mutant R(77a)A bound to PPACK 提交 2004-02-20	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 D 328–363（36 aa）片段：thrombin light chain (A) 链 E 364–622（259 aa）片段：thrombin heavy chain (B)	突变：R(77a)A	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.6；293 K；PEG monomethyl ether 2000, Bis-Tris, sodium chloride, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.91 Å R-free 0.221
1SG8 Crystal structure of the procoagulant fast form of thrombin 提交 2004-02-23	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）片段：thrombin light chain (A) 链 B 364–622（259 aa）片段：thrombin heavy chain (B)	突变：R(77a)A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；19% PEG 2000-MME, 0.1 M Bis-Tris, 200 mM NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.30 Å R-free 0.289
1SG8 Crystal structure of the procoagulant fast form of thrombin 提交 2004-02-23	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 D 328–363（36 aa）片段：thrombin light chain (A) 链 E 364–622（259 aa）片段：thrombin heavy chain (B)	突变：R(77a)A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；19% PEG 2000-MME, 0.1 M Bis-Tris, 200 mM NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.30 Å R-free 0.289
1SG8 Crystal structure of the procoagulant fast form of thrombin 提交 2004-02-23	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 328–363（36 aa）片段：thrombin light chain (A) 链 B 364–622（259 aa）片段：thrombin heavy chain (B) 链 D 328–363（36 aa）片段：thrombin light chain (A) 链 E 364–622（259 aa）片段：thrombin heavy chain (B)	突变：R(77a)A 突变：R(77a)A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；19% PEG 2000-MME, 0.1 M Bis-Tris, 200 mM NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.30 Å R-free 0.289
1SGI Crystal structure of the anticoagulant slow form of thrombin 提交 2004-02-23	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）片段：THROMBIN LIGHT CHAIN (A) 链 B 364–622（259 aa）片段：THROMBIN HEAVY CHAIN (B)	突变：R(77a)A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；14% PEG 2000-MME, 0.1 M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.30 Å R-free 0.251
1SGI Crystal structure of the anticoagulant slow form of thrombin 提交 2004-02-23	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 D 328–363（36 aa）片段：THROMBIN LIGHT CHAIN (A) 链 E 364–622（259 aa）片段：THROMBIN HEAVY CHAIN (B)	突变：R(77a)A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；14% PEG 2000-MME, 0.1 M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.30 Å R-free 0.251
1SHH Slow form of Thrombin Bound with PPACK 提交 2004-02-25	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）片段：THROMBIN LIGHT CHAIN (A) 链 B 364–622（259 aa）片段：THROMBIN HEAVY CHAIN (B)	突变：R77aA	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.6；293 K；16-22% PEG monomethyl ether 2000, 50 mM Bis-tris, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	分辨率 1.55 Å R-free 0.216
1SHH Slow form of Thrombin Bound with PPACK 提交 2004-02-25	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 D 328–363（36 aa）片段：THROMBIN LIGHT CHAIN (A) 链 E 364–622（259 aa）片段：THROMBIN HEAVY CHAIN (B)	突变：R77aA	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.6；293 K；16-22% PEG monomethyl ether 2000, 50 mM Bis-tris, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	分辨率 1.55 Å R-free 0.216
1SL3 crystal structue of Thrombin in complex with a potent P1 heterocycle-Aryl based inhibitor 提交 2004-03-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 335–621（287 aa）片段：alpha-thrombin	未记录	170 (2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；298 K；PEG 8000, sodium phosphate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.81 Å R-free 0.240
1SR5 ANTITHROMBIN-ANHYDROTHROMBIN-HEPARIN TERNARY COMPLEX STRUCTURE 提交 2004-03-22	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 3 PDB 声明：trimeric	链 B 328–363（36 aa）片段：light chain (residues 328-363) 链 C 364–622（259 aa）片段：heavy chain (residues 364-622)	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 GU4 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.4；291 K；PEG 3350, tri-sodium citrate, pH 8.40, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K	分辨率 3.10 Å R-free 0.278
1T4U Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin 提交 2004-04-30	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：sequence database residues 364-622 链 L 334–359（26 aa）片段：sequence database residues 334-359	未记录	81A 2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMINOOXYMETHYL-CYCLOPROPYL)METHYLOXY)-PHENYLESTER × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.00 Å
1T4V Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin 提交 2004-04-30	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：sequence database residues 364-622 链 L 334–359（26 aa）片段：sequence database residues 334-359	未记录	14A N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.00 Å
1TA2 Crystal structure of thrombin in complex with compound 1 提交 2004-05-19	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 335–621（287 aa）片段：alpha-thrombin	未记录	176 1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-PYRROLIDINE-3-CARBOXYLIC ACID 2,5-DICHLORO-BENZYLAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；298 K；PEG 8000, Sodium phosphate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.30 Å
1TA6 Crystal structure of thrombin in complex with compound 14b 提交 2004-05-19	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 335–621（287 aa）片段：alpha-thrombin	未记录	177 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；298 K；PEG 8000, Sodium phosphate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.90 Å
1TB6 2.5A Crystal Structure of the Antithrombin-Thrombin-Heparin Ternary Complex 提交 2004-05-19	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：thrombin heavy chain, serine protease 链 L 315–363（49 aa）片段：thrombin light chain	突变：S195A	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；296 K；PEG 3350, lithium citrate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 296K	分辨率 2.50 Å R-free 0.245
1TBZ HUMAN THROMBIN WITH ACTIVE SITE N-METHYL-D PHENYLALANYL-N-[5-(AMINOIMINOMETHYL)AMINO]-1-{{BENZOTHIAZOLYL)CARBONYL] BUTYL]-L-PROLINAMIDE TRIFLUROACETATE AND EXOSITE-HIRUGEN 提交 1998-02-05	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	00Q D-phenylalanyl-N-{(1S)-1-[(S)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-L-prolinamide × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 vapor diffusion - hanging drop - macroseeding；pH 7.3；0.1M PHOSPHATE BUFFER AT PH 7.3, 27-28% PEG 8000. HANGING DROPS AND MACROSEEDING ., vapor diffusion - hanging drop - macroseeding	分辨率 2.30 Å
1THP STRUCTURE OF HUMAN ALPHA-THROMBIN Y225P MUTANT BOUND TO D-PHE-PRO-ARG-CHLOROMETHYLKETONE 提交 1999-01-26	突变/修饰不同聚集状态不同配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	突变：Y225P	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；pH 7.5	分辨率 2.10 Å R-free 0.272
1THR STRUCTURES OF THROMBIN COMPLEXES WITH A DESIGNED AND A NATURAL EXOSITE INHIBITOR 提交 1993-06-16	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 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
1THS STRUCTURES OF THROMBIN COMPLEXES WITH A DESIGNED AND A NATURAL EXOSITE INHIBITOR 提交 1993-06-16	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 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 2.20 Å
1THS STRUCTURES OF THROMBIN COMPLEXES WITH A DESIGNED AND A NATURAL EXOSITE INHIBITOR 提交 1993-06-16	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 6 PDB 声明：hexameric	链 H 364–622（259 aa）链 L 328–363（36 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 2.20 Å
1TMB MOLECULAR BASIS FOR THE INHIBITION OF HUMAN ALPHA-THROMBIN BY THE MACROCYCLIC PEPTIDE CYCLOTHEONAMIDE A 提交 1993-05-27	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 H 364–622（259 aa）链 L 328–363（36 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
1TMT CHANGES IN INTERACTIONS IN COMPLEXES OF HIRUDIN DERIVATIVES AND HUMAN ALPHA-THROMBIN DUE TO DIFFERENT CRYSTAL FORMS 提交 1994-05-26	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.20 Å
1TMU Changes in interactions in complexes of hirudin derivatives and human alpha-thrombin due to different crystal forms 提交 1994-05-26	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：residues 364-622 链 L 333–360（28 aa）片段：residues 328-363	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.50 Å
1TOM ALPHA-THROMBIN COMPLEXED WITH HIRUGEN 提交 1996-12-06	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	MIN METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.80 Å
1TQ0 Crystal structure of the potent anticoagulant thrombin mutant W215A/E217A in free form 提交 2004-06-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 333–363（31 aa）片段：light chain 链 B 364–620（257 aa）片段：heavy chain 链 C 333–363（31 aa）片段：light chain 链 D 364–620（257 aa）片段：heavy chain	突变：W215A/E217A 突变：W215A/E217A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.9；298 K；0.1 M CAPS, 0.2 M lithium sulfate, 0.12 M sodium dihydrogen phosphate, 0.53 M dipotassium hydrogen phosphate, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.80 Å R-free 0.292
1TQ0 Crystal structure of the potent anticoagulant thrombin mutant W215A/E217A in free form 提交 2004-06-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 333–363（31 aa）片段：light chain 链 B 364–620（257 aa）片段：heavy chain	突变：W215A/E217A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.9；298 K；0.1 M CAPS, 0.2 M lithium sulfate, 0.12 M sodium dihydrogen phosphate, 0.53 M dipotassium hydrogen phosphate, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.80 Å R-free 0.292
1TQ0 Crystal structure of the potent anticoagulant thrombin mutant W215A/E217A in free form 提交 2004-06-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 333–363（31 aa）片段：light chain 链 D 364–620（257 aa）片段：heavy chain	突变：W215A/E217A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.9；298 K；0.1 M CAPS, 0.2 M lithium sulfate, 0.12 M sodium dihydrogen phosphate, 0.53 M dipotassium hydrogen phosphate, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.80 Å R-free 0.292
1TQ7 Crystal structure of the anticoagulant thrombin mutant W215A/E217A bound to PPACK 提交 2004-06-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 320–363（44 aa）片段：light chain 链 B 364–620（257 aa）片段：heavy chain	突变：W215A/E217A	ZN ZINC ION × 3 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；18% PEG 8000, 0.2 M zinc acetate, 0.1 M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.40 Å R-free 0.243
1TWX Crystal structure of the thrombin mutant D221A/D222K 提交 2004-07-01	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 334–361（28 aa）片段：light chain 链 B 364–622（259 aa）片段：heavy chain	突变：D221A/D222K	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；298 K；0.1 M sodium phosphate, 26% PEG 8000, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.40 Å R-free 0.268
1UMA ALPHA-THROMBIN (HIRUGEN) COMPLEXED WITH NA-(N,N-DIMETHYLCARBAMOYL)-ALPHA-AZALYSINE 提交 1996-03-26	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 IN2 N,N-DIMETHYLCARBAMOYL-ALPHA-AZALYSINE × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.00 Å
1UVS BOVINE THROMBIN--BM51.1011 COMPLEX 提交 1996-10-16	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	I11 [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.80 Å R-free 0.280
1VR1 Specifity for Plasminogen Activator Inhibitor-1 提交 1998-12-11	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）链 L 334–360（27 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 7.6；pH 7.6	分辨率 1.90 Å R-free 0.256
1VZQ Complex of thrombin with designed inhibitor 7165 提交 2004-05-24	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）片段：SERINE PROTEASE DOMAIN, RESIDUES 364-620 链 L 334–360（27 aa）片段：RESIDUES 334-360	未记录	SHY 4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE × 1 NA SODIUM ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.4；PH 7.40	分辨率 1.54 Å R-free 0.209
1W7G Alpha-thrombin complex with sulfated hirudin (residues 54-65) and L- Arginine template inhibitor CS107 提交 2004-09-02	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：THROMBIN HEAVY CHAIN 链 L 328–363（36 aa）片段：THROMBIN LIGHT CHAIN	未记录	MIU N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；VAPOUR DIFFUSION HANGING DROP 20% P5KMME 0.1M HEPES PH7.5 0.3M NACL THROMBIN 10MG/ML HIRUDIN 3MM AND CS107 16MM, PH 7.50	分辨率 1.65 Å R-free 0.272
1WAY Active site thrombin inhibitors 提交 2004-10-28	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：FRAGMENT ALPHA THROMBIN, RESIDUES 328-363 链 B 364–622（259 aa）片段：FRAGMENT ALPHA THROMBIN, RESIDUES 364-622	未记录	L02 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE × 1 DMS DIMETHYL SULFOXIDE × 3	X-RAY DIFFRACTION X-ray结晶条件 pH 7.3；PH 7.30	分辨率 2.02 Å R-free 0.231
1WBG Active site thrombin inhibitors 提交 2004-11-01	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：FRAGMENT ALPHA THROMBIN, RESIDUES 328-363 链 B 364–622（259 aa）片段：FRAGMENT ALPHA THROMBIN, RESIDUES 364-622	未记录	L03 3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE × 1 DMS DIMETHYL SULFOXIDE × 3	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；PH 7.50	分辨率 2.20 Å R-free 0.265
1XM1 Nonbasic Thrombin Inhibitor Complex 提交 2004-10-01	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 328–622（295 aa）	未记录	GAH N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}-3-CYCLOHEXYL-L-ALANYL)AZETIDIN-2-YL]CARBONYL}-L-TYROSYL-N~6~-[AMINO(IMINO)METHYL]-L-LYSINAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；291 K；0.1M potassium phosphate, 20%(w/v) PEG 6000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.30 Å R-free 0.266
1XMN Crystal structure of thrombin bound to heparin 提交 2004-10-04	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 8 PDB 声明：octameric	链 A 328–363（36 aa）链 B 364–622（259 aa）链 C 328–363（36 aa）链 D 364–622（259 aa）链 E 328–363（36 aa）链 F 364–622（259 aa）链 G 328–363（36 aa）链 H 364–622（259 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 4 NA SODIUM ION × 4 GOL GLYCEROL × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；PEG 3350, Sodium Citrate, glycerol, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.85 Å R-free 0.234
1XMN Crystal structure of thrombin bound to heparin 提交 2004-10-04	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；PEG 3350, Sodium Citrate, glycerol, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.85 Å R-free 0.234
1XMN Crystal structure of thrombin bound to heparin 提交 2004-10-04	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 G 328–363（36 aa）链 H 364–622（259 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；PEG 3350, Sodium Citrate, glycerol, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.85 Å R-free 0.234
1XMN Crystal structure of thrombin bound to heparin 提交 2004-10-04	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 4 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 E 328–363（36 aa）链 F 364–622（259 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；PEG 3350, Sodium Citrate, glycerol, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.85 Å R-free 0.234
1XMN Crystal structure of thrombin bound to heparin 提交 2004-10-04	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 5 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 328–363（36 aa）链 D 364–622（259 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；PEG 3350, Sodium Citrate, glycerol, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.85 Å R-free 0.234
1YPE Thrombin Inhibitor Complex 提交 2005-01-31	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）链 L 334–360（27 aa）	未记录	NA SODIUM ION × 2 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 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；phasphate buffer, sodium chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.81 Å R-free 0.235
1YPG Thrombin Inhibitor Complex 提交 2005-01-31	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）链 L 334–360（27 aa）	未记录	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 7.5；277 K；phosphate buffer, sodium chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.80 Å R-free 0.248
1YPJ Thrombin Inhibitor Complex 提交 2005-01-31	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）链 L 334–360（27 aa）	未记录	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 7.5；277 K；phosphate buffer, sodium chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.78 Å R-free 0.239
1YPK Thrombin Inhibitor Complex 提交 2005-01-31	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）链 L 334–360（27 aa）	未记录	CCR [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；phosphate buffer, sodium chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.78 Å R-free 0.239
1YPL X-ray crystal structure of thrombin inhibited by synthetic cyanopeptide analogue RA-1008 提交 2005-01-31	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）链 L 334–360（27 aa）	未记录	NA SODIUM ION × 2 RA8 N-(BENZYLSULFONYL)-L-LEUCYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)-L-PROLINAMIDE × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；phosphate buffer, sodium chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.85 Å R-free 0.263
1YPM X-ray crystal structure of thrombin inhibited by synthetic cyanopeptide analogue RA-1014 提交 2005-01-31	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）链 L 334–360（27 aa）	未记录	RA4 N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)-L-PROLINAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；phosphate buffer, sodium chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.85 Å R-free 0.260
1Z71 thrombin and P2 pyridine N-oxide inhibitor complex structure 提交 2005-03-23	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 335–621（287 aa）片段：alpha-thrombin	未记录	L17 L17 × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；298 K；peg8k, sodium phosphate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.80 Å R-free 0.254
1Z8I Crystal structure of the thrombin mutant G193A bound to PPACK 提交 2005-03-30	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 324–361（38 aa）片段：sequence database residues 324-361 链 B 364–622（259 aa）片段：sequence database residues 364-622	突变：G193A	ZN ZINC ION × 4 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；20% PEG 8000, 0.1 M sodium cacodylate, 0.2 M zinc acetate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.242
1Z8J Crystal structure of the thrombin mutant G193P bound to PPACK 提交 2005-03-30	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 322–361（40 aa）片段：sequence database residues 322-361 链 B 364–622（259 aa）片段：sequence database residues 364-622	突变：G193P	ZN ZINC ION × 3 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；20% PEG 8000, 0.1 M sodium cacodylate, 0.2 M zinc acetate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.246
1Z8J Crystal structure of the thrombin mutant G193P bound to PPACK 提交 2005-03-30	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 322–361（40 aa）片段：sequence database residues 322-361 链 B 364–622（259 aa）片段：sequence database residues 364-622	突变：G193P	ZN ZINC ION × 3 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；20% PEG 8000, 0.1 M sodium cacodylate, 0.2 M zinc acetate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.246
1ZGI thrombin in complex with an oxazolopyridine inhibitor 21 提交 2005-04-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 335–621（287 aa）片段：alpha-thrombin	未记录	382 (R)-2-(2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL)-N-(2,2-DIFLUORO-2-(PIPERIDIN-2-YL)ETHYL)OXAZOLO[4,5-C]PYRIDIN-4-AMINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；298 K；PEK8K, Sodium Phosphate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.20 Å R-free 0.264
1ZGV Thrombin in complex with an oxazolopyridine inhibitor 2 提交 2005-04-22	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 335–621（287 aa）片段：alpha-thrombin	未记录	501 N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2,7-DIAMINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；298 K；PEK8K, Sodium phosphate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.20 Å R-free 0.228
1ZRB Thrombin in complex with an azafluorenyl inhibitor 23b 提交 2005-05-19	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 335–621（287 aa）片段：alpha-thrombin	未记录	062 3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL-L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N-OXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；298 K；PEG 8000, sodium phosphate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.90 Å R-free 0.279
2A0Q Structure of thrombin in 400 mM potassium chloride 提交 2005-06-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 334–363（30 aa）链 B 364–620（257 aa）	突变：R77A	NDG 2-acetamido-2-deoxy-alpha-D-glucopyranose × 1 K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；293 K；PEG-MME 2000, potassium chloride, Bis-Tris, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.90 Å R-free 0.240
2A0Q Structure of thrombin in 400 mM potassium chloride 提交 2005-06-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 334–363（30 aa）链 D 364–620（257 aa）	突变：R77A	K POTASSIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；293 K；PEG-MME 2000, potassium chloride, Bis-Tris, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.90 Å R-free 0.240
2A0Q Structure of thrombin in 400 mM potassium chloride 提交 2005-06-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 334–363（30 aa）链 B 364–620（257 aa）链 C 334–363（30 aa）链 D 364–620（257 aa）	突变：R77A 突变：R77A	NDG 2-acetamido-2-deoxy-alpha-D-glucopyranose × 1 K POTASSIUM ION × 2 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；293 K；PEG-MME 2000, potassium chloride, Bis-Tris, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.90 Å R-free 0.240
2A2X Orally Active Thrombin Inhibitors in Complex with Thrombin Inh12 提交 2005-06-23	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 330–363（34 aa）	未记录	NA9 N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；PEG 400, Na-acetate, Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	分辨率 2.44 Å R-free 0.221
2A2X Orally Active Thrombin Inhibitors in Complex with Thrombin Inh12 提交 2005-06-23	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 6 PDB 声明：hexameric	链 H 364–622（259 aa）链 L 330–363（34 aa）	未记录	NA9 N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；PEG 400, Na-acetate, Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	分辨率 2.44 Å R-free 0.221
2A45 Crystal structure of the complex between thrombin and the central "E" region of fibrin 提交 2005-06-27	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 10 PDB 声明：decameric	链 A 328–363（36 aa）链 B 364–622（259 aa）链 D 328–363（36 aa）链 E 364–622（259 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 2 PO4 PHOSPHATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 MICRODIALYSIS；pH 7.9；298 K；PEG 3500, AMMONIUM PHOSPHATE, TRIS, pH 7.90, MICRODIALYSIS, temperature 298K	分辨率 3.65 Å R-free 0.290
2AFQ 1.9 angstrom crystal structure of wild-type human thrombin in the sodium free state 提交 2005-07-26	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 332–360（29 aa）片段：Light Chain 链 B 364–622（259 aa）片段：Heavy Chain 链 C 332–360（29 aa）片段：Light Chain 链 D 364–622（259 aa）片段：Heavy Chain	未记录	GOL GLYCEROL × 7	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；PEG 3350, magnesium acetate, lithium chloride, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.93 Å R-free 0.229
2ANK orally active thrombin inhibitors in complex with thrombin and an exosite decapeptide 提交 2005-08-11	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 330–363（34 aa）	未记录	N12 N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；PEG 400, Na-acetate, Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	分辨率 2.46 Å R-free 0.211
2ANM Ternary complex of an orally active thrombin inhibitor with human thrombin and a c-terminal hirudin derived exo-sit inhibitor 提交 2005-08-11	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 364–620（257 aa）片段：Thrombin heavy chain 链 L 328–363（36 aa）片段：Thrombin light chain	未记录	CDO 2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLCARBAMOYL)-2H-PYRROL-1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-2-YLAMINO)ACETIC ACID × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.40 Å R-free 0.250
2B5T 2.1 Angstrom structure of a nonproductive complex between antithrombin, synthetic heparin mimetic SR123781 and two S195A thrombin molecules 提交 2005-09-29	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 5 PDB 声明：pentameric	链 A 315–363（49 aa）片段：thrombin light chain 链 B 364–622（259 aa）片段：thrombin heavy chain, serine protease 链 C 315–363（49 aa）片段：thrombin light chain 链 D 364–622（259 aa）片段：thrombin heavy chain, serine protease	突变：S195A 突变：S195A	GOL GLYCEROL × 12 SO4 SULFATE ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；294 K；PEG3350, glycerol, ammonium sulfate, (crystallized with NaCl and tris, but not in cryoprotectant), pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 294K	分辨率 2.10 Å R-free 0.247
2B5T 2.1 Angstrom structure of a nonproductive complex between antithrombin, synthetic heparin mimetic SR123781 and two S195A thrombin molecules 提交 2005-09-29	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 其他组合异源复合物；蛋白 × 5 PDB 声明：pentameric	链 A 315–363（49 aa）片段：thrombin light chain 链 B 364–622（259 aa）片段：thrombin heavy chain, serine protease 链 C 315–363（49 aa）片段：thrombin light chain 链 D 364–622（259 aa）片段：thrombin heavy chain, serine protease	突变：S195A 突变：S195A	GOL GLYCEROL × 12 SO4 SULFATE ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；294 K；PEG3350, glycerol, ammonium sulfate, (crystallized with NaCl and tris, but not in cryoprotectant), pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 294K	分辨率 2.10 Å R-free 0.247
2BDY thrombin in complex with inhibitor 提交 2005-10-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 334–622（289 aa）片段：Heavy and light chain, residues 334-622	未记录	NA SODIUM ION × 1 UNB N-(4-CARBAMIMIDOYL-BENZYL)-2-[2-HYDROXY-6-METHYL-3-(NAPHTHALENE-1-SULFONYLAMINO)-PHENYL]-ACETAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；298 K；27% PEG8000, 0.1M sodium phosphate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.61 Å R-free 0.225
2BVR Human thrombin complexed with fragment-based small molecules occupying the S1 pocket 提交 2005-07-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–509（146 aa）片段：LARGE SUBUNIT, RESIDUES 364-622 链 H 516–622（107 aa）片段：LARGE SUBUNIT, RESIDUES 364-622 链 L 328–363（36 aa）片段：SMALL SUBUNIT, RESIDUES 328-363	未记录	4CP 2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.25 Å R-free 0.229
2BVS Human thrombin complexed with fragment-based small molecules occupying the S1 pocket 提交 2005-07-04	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：LARGE SUBUNIT, RESIDUES 364-622 链 L 328–363（36 aa）片段：SMALL SUBUNIT, RESIDUES 328-363	未记录	2CE N-[2-(2-CARBAMOYLMETHOXY-ETHOXY)-ETHYL]-2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.40 Å R-free 0.219
2BVX Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker 提交 2005-07-04	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：LARGE SUBUNIT, RESIDUES 364-622 链 L 328–363（36 aa）片段：SMALL SUBUNIT, RESIDUES 328-363	未记录	5CB N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 3.20 Å R-free 0.306
2BXT Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker 提交 2005-07-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：LARGE SUBUNIT, RESIDUES 364-622 链 L 328–363（36 aa）片段：SMALL SUBUNIT, RESIDUES 328-363	未记录	C2D 6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHIEN-3-YL)METHYL]AMINO}ETHYL)-3-[(2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.83 Å R-free 0.225
2BXU Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker 提交 2005-07-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：LARGE SUBUNIT, RESIDUES 364-622 链 L 328–363（36 aa）片段：SMALL SUBUNIT, RESIDUES 328-363	未记录	C1D 1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.80 Å
2C8W thrombin inhibitors 提交 2005-12-08	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：FRAGMENT ALPHA THROMBIN, RESIDUES 328-363 链 B 364–622（259 aa）片段：FRAGMENT ALPHA THROMBIN, RESIDUES 364-622	未记录	NA SODIUM ION × 1 C7M (2S,3R)-N-[5-CHLORO-2-(2,3-DIHYDRO-1H-TETRAZOL-1-YL)BENZYL]-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-1-PHENYLBUTA N-2-AMINIUM × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.3；PH 7.30	分辨率 1.96 Å R-free 0.219
2C8X thrombin inhibitors 提交 2005-12-08	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：FRAGMENT ALPHA THROMBIN, RESIDUES 328-363 链 B 364–622（259 aa）片段：FRAGMENT ALPHA THROMBIN, RESIDUES 364-622	未记录	DMS DIMETHYL SULFOXIDE × 2 NA SODIUM ION × 1 C5M N-{(2R,3S)-3-[(3-CHLOROBENZYL)AMINO]-2-HYDROXY-4-PHENYLBUTYL}-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.3；PH 7.30	分辨率 2.17 Å R-free 0.229
2C8Y thrombin inhibitors 提交 2005-12-08	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：FRAGMENT ALPHA THROMBIN, RESIDUES 328-363 链 B 364–622（259 aa）片段：FRAGMENT ALPHA THROMBIN, RESIDUES 364-622	未记录	DMS DIMETHYL SULFOXIDE × 3 NA SODIUM ION × 1 C3M N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.3；PH 7.30	分辨率 2.20 Å R-free 0.259
2C8Z thrombin inhibitors 提交 2005-12-08	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：FRAGMENT ALPHA THROMBIN, RESIDUES 328-363 链 B 364–622（259 aa）片段：FRAGMENT ALPHA THROMBIN, RESIDUES 364-622	未记录	NA SODIUM ION × 1 DMS DIMETHYL SULFOXIDE × 1 C2A 1-(3-CHLOROPHENYL)METHANAMINE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.3；PH 7.30	分辨率 2.14 Å R-free 0.246
2C90 thrombin inhibitors 提交 2005-12-08	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：FRAGMENT ALPHA THROMBIN, RESIDUES 328-363 链 B 364–622（259 aa）片段：FRAGMENT ALPHA THROMBIN, RESIDUES 364-622	未记录	DMS DIMETHYL SULFOXIDE × 1 NA SODIUM ION × 1 C1M 1-(4-CHLOROPHENYL)-1H-TETRAZOLE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.3；PH 7.30	分辨率 2.25 Å R-free 0.306
2C93 thrombin inhibitors 提交 2005-12-09	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：FRAGMENT ALPHA THROMBIN, RESIDUES 328-363 链 B 364–622（259 aa）片段：FRAGMENT ALPHA THROMBIN, RESIDUES 364-622	未记录	DMS DIMETHYL SULFOXIDE × 2 NA SODIUM ION × 1 C4M N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.3；PH 7.30	分辨率 2.20 Å R-free 0.242
2CF8 Complex of recombinant human thrombin with an inhibitor 提交 2006-02-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）片段：CATALYTIC, RESIDUES 364-620 链 L 334–361（28 aa）片段：LIGHT CHAIN, RESIDUES 334-361	未记录	ESH 4- [(1R,3AS,4R,8AS,8BR)- 2- (4-CHLOROBENZYL)- 1- ISOPROPYL- 3- OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN- 4- YL]BENZENECARBOXIMIDAMIDE × 1 NA SODIUM ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.4；PH 7.40	分辨率 1.30 Å R-free 0.199
2CF9 Complex of recombinant human thrombin with an inhibitor 提交 2006-02-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）片段：CATALYTIC, RESIDUES 364-620 链 L 334–361（28 aa）片段：LIGHT CHAIN, RESIDUES 334-361	未记录	348 4-[(1R,3AS,4R,8AS,8BR)-1-ISOPROPYL-2-(4-METHOXYBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE × 1 NA SODIUM ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.4；PH 7.40	分辨率 1.79 Å R-free 0.198
2CN0 Complex of Recombinant Human Thrombin with a Designed Inhibitor 提交 2006-05-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）片段：RESIDUES 364-620 链 L 334–361（28 aa）片段：RESIDUES 334-361	未记录	F25 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE × 1 NA SODIUM ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.4；PH 7.40	分辨率 1.30 Å R-free 0.204
2FEQ orally active thrombin inhibitors 提交 2005-12-16	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	34P N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({4-[(E)-AMINO(IMINO)METHYL]-1,3-THIAZOL-2-YL}METHYL)-L-PROLINAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 EVAPORATION；pH 8.5；298 K；PEG 8000, Na-acetate, Tris, pH 8.5, EVAPORATION, temperature 298.0K	分辨率 2.44 Å R-free 0.242
2FEQ orally active thrombin inhibitors 提交 2005-12-16	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 6 PDB 声明：hexameric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	34P N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({4-[(E)-AMINO(IMINO)METHYL]-1,3-THIAZOL-2-YL}METHYL)-L-PROLINAMIDE × 2	X-RAY DIFFRACTION X-ray结晶条件 EVAPORATION；pH 8.5；298 K；PEG 8000, Na-acetate, Tris, pH 8.5, EVAPORATION, temperature 298.0K	分辨率 2.44 Å R-free 0.242
2FES Orally active thrombin inhibitors 提交 2005-12-16	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	3SP N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-2-YL}METHYL)-L-PROLINAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；PEG 8000, Na-acetet, Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	分辨率 2.42 Å R-free 0.220
2GDE Thrombin in complex with inhibitor 提交 2006-03-16	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 1 SN3 (R)-3-((2S,3R)-1-((2S,3AR,5S,6S,7AS)-2-(2-(1-CARBAMIMIDOYL-2,5-DIHYDRO-1H-PYRROL-3-YL)ETHYLCARBAMOYL)-5,6-DIHYDROXYOCTA HYDRO-1H-INDOL-1-YL)-3-CHLORO-4-METHYL-1-OXOPENTAN-2-YLAMINO)-2-METHOXY-3-OXOPROPYL HYDROGEN SULFATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；298 K；PEG, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.248
2GP9 Crystal structure of the slow form of thrombin in a self-inhibited conformation 提交 2006-04-17	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）片段：THROMBIN LIGHT CHAIN 链 B 364–622（259 aa）片段：THROMBIN heavy CHAIN	突变：D102N	EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；18% PEG 20000, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K	分辨率 1.87 Å R-free 0.218
2H9T Crystal structure of human alpha-thrombin in complex with suramin 提交 2006-06-11	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：heavy chain, residues 364-622 链 L 328–363（36 aa）片段：light chain, residues 328-363	未记录	SVR 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；100 mM tris, 25 % tert-butanol, 0.16 mM thrombin:suramin complex, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.40 Å R-free 0.266
2HGT STRUCTURE OF THE HIRUGEN AND HIRULOG 1 COMPLEXES OF ALPHA-THROMBIN 提交 1991-06-03	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 H 364–622（259 aa）链 L 328–363（36 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 2.20 Å
2HNT CRYSTALLOGRAPHIC STRUCTURE OF HUMAN GAMMA-THROMBIN 提交 1994-08-23	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 C 364–433（70 aa）链 E 437–517（81 aa）链 F 518–622（105 aa）链 L 328–363（36 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 2.50 Å
2HPP Structures of the noncovalent complexes of human and bovine prothrombin fragment 2 with human ppack-thrombin 提交 1993-04-28	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：UNP residues 364-622 链 L 328–363（36 aa）片段：UNP residues 328-363	未记录	0G7 D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 3.30 Å
2HPQ Structures of the noncovalent complexes of human and bovine prothrombin fragment 2 with human ppack-thrombin 提交 1993-04-28	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）链 P 213–291（79 aa）片段：Activation peptide fragment 2	未记录	0G7 D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 3.30 Å
2HWL Crystal structure of thrombin in complex with fibrinogen gamma' peptide 提交 2006-08-01	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 5 PDB 声明：pentameric	链 A 328–363（36 aa）片段：Thrombin light chain 链 B 364–622（259 aa）片段：Thrombin heavy chain 链 C 328–363（36 aa）片段：Thrombin light chain 链 D 364–622（259 aa）片段：Thrombin heavy chain	突变：R77AA 突变：R77AA	NA SODIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；25% PEG 4000, 100 mM HEPES sodium salt buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.40 Å R-free 0.249
2JH0 Human Thrombin Hirugen Inhibitor complex 提交 2007-02-19	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 C 328–363（36 aa）片段：LIGHT CHAIN, RESIDUES 328-363 链 D 364–622（259 aa）片段：HEAVY CHAIN, RESIDUES 364-622	未记录	701 (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6.8；PH 6.80	分辨率 1.70 Å R-free 0.210
2JH5 Human Thrombin Hirugen Inhibitor complex 提交 2007-02-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 C 328–363（36 aa）片段：LIGHT CHAIN, RESIDUES 328-363 链 D 364–622（259 aa）片段：HEAVY CHAIN, RESIDUES 364-622	未记录	CA CALCIUM ION × 1 NA SODIUM ION × 1 895 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6.8；PH 6.80	分辨率 2.50 Å R-free 0.231
2JH6 Human Thrombin Hirugen Inhibitor complex 提交 2007-02-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 C 328–363（36 aa）片段：LIGHT CHAIN, RESIDUES 328-363 链 D 364–622（259 aa）片段：HEAVY CHAIN, RESIDUES 364-622	未记录	CA CALCIUM ION × 1 NA SODIUM ION × 1 894 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6.8；PH 6.80	分辨率 2.21 Å R-free 0.196
2OD3 Human thrombin chimera with human residues 184a, 186, 186a, 186b, 186c and 222 replaced by murine thrombin equivalents. 提交 2006-12-21	突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	突变：Y184aF, P186V, D186aN, E186bD, G186cT, D222K	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；295 K；20% PEG 3350, 0.2M lithium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.75 Å R-free 0.230
2PGB Inhibitor-free human thrombin mutant C191A-C220A 提交 2007-04-09	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）片段：Thrombin light chain, 328-363 链 B 364–622（259 aa）片段：Thrombin heavy chain, 364-622	突变：C191A, C220A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；25% PEG 4000, 0.2 M Lithium Sulfate and 0.1 M TRIS- HCl pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.54 Å R-free 0.217
2PGQ Human thrombin mutant C191A-C220A in complex with the inhibitor PPACK 提交 2007-04-10	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 319–363（45 aa）片段：residues 319-363 链 B 364–622（259 aa）片段：residues 364-622	突变：C191A, C220A	ZN ZINC ION × 3 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.3；295 K；20% PEG 3350 and 0.2 M Zinc Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 295K, pH 6.3	分辨率 1.80 Å R-free 0.222
2PKS Thrombin in complex with inhibitor 提交 2007-04-18	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 334–360（27 aa）片段：Residues 335-361 链 B 364–510（147 aa）片段：Residues 364-510 链 C 518–619（102 aa）片段：Residues 518-619	未记录	NA SODIUM ION × 1 G44 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；298 K；27% PEG8000, 0.1M SODIUM PHOSPHATE, PH 7.3, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K	分辨率 2.50 Å R-free 0.259
2PW8 Crystal structure of sulfo-hirudin complexed to thrombin 提交 2007-05-10	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）链 L 334–360（27 aa）	未记录	NI NICKEL (II) ION × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.1M Tris, 20% PEG2K, 0.01M Nickel Chloride. , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.84 Å R-free 0.233
2R2M 2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors 提交 2007-08-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 334–359（26 aa）片段：unp residues 334-359 链 B 364–622（259 aa）	未记录	I50 N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.10 Å R-free 0.214
2THF STRUCTURE OF HUMAN ALPHA-THROMBIN Y225F MUTANT BOUND TO D-PHE-PRO-ARG-CHLOROMETHYLKETONE 提交 1999-01-26	突变/修饰不同聚集状态不同配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	突变：Y225F	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；pH 7.5	分辨率 2.10 Å R-free 0.265
2UUF Thrombin-hirugen binary complex at 1.26A resolution 提交 2007-03-02	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：RESIDUES 328-363 链 B 364–622（259 aa）片段：RESIDUES 364-622	未记录	NA SODIUM ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；CRYSTALS WERE GROWN BY MACROSEEDING A SOLUTION OF 100MM HEPES PH 7.0, 28% PEG4K, 500MM NACL.	分辨率 1.26 Å R-free 0.194
2UUJ Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution 提交 2007-03-03	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：RESIDUES 328-363 链 B 364–622（259 aa）片段：RESIDUES 364-622	未记录	NA SODIUM ION × 1 CA CALCIUM ION × 1 896 N-ETHYL-N-ISOPROPYL-3-METHYL-5-{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；CRYSTALLIZATION CONDITIONS: CRYSTALS WERE GROWN BY MACROSEEDING A SOLUTION OF 100MM HEPES PH 7.0, 28% PEG4K, 500MM NACL.	分辨率 1.32 Å R-free 0.211
2UUK Thrombin-hirugen-gw420128 ternary complex at 1.39A resolution 提交 2007-03-03	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：RESIDUES 328-363 链 B 364–622（259 aa）片段：RESIDUES 364-622	未记录	NA SODIUM ION × 1 CA CALCIUM ION × 1 897 N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-N-ISOPROPYL-3-METHYL-5-{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；CRYSTALLIZATION CONDITIONS: CRYSTALS WERE GROWN BY MACROSEEDING A SOLUTION OF 100MM HEPES PH 7.0, 28% PEG4K,500MM NACL.	分辨率 1.39 Å R-free 0.173
2V3H Thrombin with 3-cycle no F 提交 2007-06-18	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）片段：CATALYTIC, RESIDUES 364-620 链 L 334–361（28 aa）片段：LIGHT CHAIN, RESIDUES 334-361	未记录	I25 (2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){3-[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-5-ETHYLPHENYL}ACETIC ACID × 1 NA SODIUM ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.79 Å R-free 0.207
2V3O Thrombin with 3-cycle with F 提交 2007-06-19	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）片段：CATALYTIC, RESIDUES 364-620 链 L 334–361（28 aa）片段：LIGHT CHAIN, RESIDUES 334-361	未记录	I26 (2R)-[(4-CARBAMIMIDOYLPHENYL)AMINO]{3-[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-5-ETHYL-2-FLUOROPHENYL}ETHANOIC ACID × 1 NA SODIUM ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.79 Å R-free 0.212
2ZC9 Thrombin in complex with Inhibitor 提交 2007-11-06	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 22U D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.58 Å R-free 0.233
2ZDA Exploring Thrombin S1 pocket 提交 2007-11-21	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 PO4 PHOSPHATE ION × 1 32U D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.73 Å R-free 0.228
2ZDV Exploring Thrombin S1 pocket 提交 2007-11-29	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 PO4 PHOSPHATE ION × 1 37U D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.72 Å R-free 0.243
2ZF0 Exploring Thrombin S1 Pocket 提交 2007-12-18	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 51U D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.20 Å R-free 0.267
2ZFF Exploring Thrombin S1-pocket 提交 2008-01-04	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 53U D-phenylalanyl-N-benzyl-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.47 Å R-free 0.203
2ZFP Thrombin Inibition 提交 2008-01-08	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 19U 1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.25 Å R-free 0.298
2ZFQ Exploring thrombin S3 pocket 提交 2008-01-10	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 45U (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide × 1 BEN BENZAMIDINE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate buffer, sodium chloride, PEG8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.80 Å R-free 0.245
2ZFR Exploring thrombin S3 pocket 提交 2008-01-10	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 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, HANGING DROP；pH 7.5；277 K；Phosphate buffer, sodium chloride, PEG8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.85 Å R-free 0.253
2ZG0 Exploring thrombin S3 pocket 提交 2008-01-16	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 50U (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate buffer, sodium chloride, PEG8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.75 Å R-free 0.243
2ZGB Thrombin Inhibition 提交 2008-01-21	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 21U D-leucyl-N-(3-chlorobenzyl)-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.60 Å R-free 0.231
2ZGX Thrombin Inhibition 提交 2008-01-28	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 29U 1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.80 Å R-free 0.229
2ZHE Exploring thrombin S3 pocket 提交 2008-02-04	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 13U N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate buffer, sodium chloride, PEG8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.10 Å R-free 0.298
2ZHF Exploring thrombin S3 pocket 提交 2008-02-04	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 49U (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate buffer, sodium chloride, PEG8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.98 Å R-free 0.261
2ZHQ Thrombin Inhibition 提交 2008-02-08	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 27U N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.96 Å R-free 0.272
2ZHW Exploring thrombin S3 pocket 提交 2008-02-08	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 12U N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate buffer, sodium chloride, PEG8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.02 Å R-free 0.292
2ZI2 Thrombin Inhibition 提交 2008-02-13	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 24U 1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide × 1 BEN BENZAMIDINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.65 Å R-free 0.225
2ZIQ Thrombin Inhibition 提交 2008-02-20	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	26U N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide × 1 NA SODIUM ION × 2 BEN BENZAMIDINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.65 Å R-free 0.225
2ZNK Thrombin Inhibition 提交 2008-04-26	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	31U D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.80 Å R-free 0.229
2ZO3 Bisphenylic Thrombin Inhibitors 提交 2008-05-05	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	33U beta-phenyl-D-phenylalanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.70 Å R-free 0.250
3B23 Crystal structure of thrombin-variegin complex: Insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors 提交 2011-07-20	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）链 B 364–622（259 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 7.4；277 K；100mM HEPES buffer pH 7.4, 20-25% (w/v) PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.40 Å R-free 0.259
3B9F 1.6 A structure of the PCI-thrombin-heparin complex 提交 2007-11-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：Thrombin heavy chain 链 L 315–363（49 aa）片段：Thrombin light chain	突变：S195A (chymotrypsin numbering)	SO4 SULFATE ION × 3 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；295 K；11% PEG 3350, 0.12M MgSO4, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.60 Å R-free 0.234
3BEF Crystal structure of thrombin bound to the extracellular fragment of PAR1 提交 2007-11-17	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 320–363（44 aa）片段：THROMBIN LIGHT CHAIN 链 B 364–622（259 aa）片段：THROMBIN HEAVY CHAIN	突变：D102N	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；285 K；100mM MES, 30% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K	分辨率 2.20 Å R-free 0.248
3BEF Crystal structure of thrombin bound to the extracellular fragment of PAR1 提交 2007-11-17	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 D 320–363（44 aa）片段：THROMBIN LIGHT CHAIN 链 E 364–622（259 aa）片段：THROMBIN HEAVY CHAIN	突变：D102N	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；285 K；100mM MES, 30% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K	分辨率 2.20 Å R-free 0.248
3BEI Crystal structure of the slow form of thrombin in a self_inhibited conformation 提交 2007-11-19	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 320–363（44 aa）片段：THROMBIN LIGHT CHAIN 链 B 364–622（259 aa）片段：THROMBIN HEAVY CHAIN	突变：D102N	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；12.5% PEG 4000, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.55 Å R-free 0.215
3BF6 Thrombin:suramin complex 提交 2007-11-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：HEAVY CHAIN, RESIDUES 364-622 链 L 328–363（36 aa）片段：LIGHT CHAIN, RESIDUES 328-363	未记录	SVR 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；100 mM Tris, 25% v/v t-butanol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.50 Å R-free 0.282
3BIU Human thrombin-in complex with UB-THR10 提交 2007-12-01	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）链 L 333–361（29 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 10U (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；phosphate buffer, sodium chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.30 Å R-free 0.263
3BIV Human thrombin-in complex with UB-THR11 提交 2007-12-01	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）链 L 333–361（29 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 11U (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；phosphate buffer, sodium chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.80 Å R-free 0.264
3BV9 Structure of Thrombin Bound to the Inhibitor FM19 提交 2008-01-05	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 333–363（31 aa）链 B 364–622（259 aa）	突变：R(77a)A	IOD IODIDE ION × 3 NA SODIUM ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；20% PEG 3350, 100 mM Bis/Tris, 200 mM NaI, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K	分辨率 1.80 Å R-free 0.239
3C1K Crystal structure of thrombin in complex with inhibitor 15 提交 2008-01-23	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 335–621（287 aa）片段：alpha-thrombin, Peptidase S1	未记录	T15 2-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2H)-yl}-N-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1H-imidazol-5-yl}methyl)acetamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；298 K；PEK8K, Sodium phosphate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.84 Å
3C27 Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors 提交 2008-01-24	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 334–359（26 aa）片段：unp residues 334-359 链 B 364–622（259 aa）片段：UNP residues 364-622	未记录	DKK N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.18 Å R-free 0.215
3D49 Thrombin Inhibition 提交 2008-05-14	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 BEN BENZAMIDINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000 , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.50 Å R-free 0.237
3DA9 Crystal structure of thrombin in complex with inhibitor 提交 2008-05-29	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：UNP residues 328-363 链 B 364–622（259 aa）片段：UNP residues 364-622	未记录	NA SODIUM ION × 1 44U beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；298 K；The drop was made by mixing 1.5 ul of the thrombin-hirudin complex and 1.5 ul of reservior solution containing: Phosphate buffer pH7.3, 28% PEG, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.80 Å R-free 0.215
3DD2 Crystal structure of an RNA aptamer bound to human thrombin 提交 2008-06-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–621（258 aa）链 L 332–361（30 aa）	未记录	PEG DI(HYDROXYETHYL)ETHER × 3 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 MG MAGNESIUM ION × 2 P6G HEXAETHYLENE GLYCOL × 1 ACY ACETIC ACID × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；PEG 8000, Magnesium Acetate, Sodium Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K	分辨率 1.90 Å R-free 0.254
3DHK Bisphenylic Thrombin Inhibitors 提交 2008-06-18	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	23U beta-phenyl-D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.73 Å R-free 0.249
3DT0 Understanding Thrombin Inhibition 提交 2008-07-14	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	16U N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.40 Å R-free 0.286
3DUX Understanding Thrombin Inhibition 提交 2008-07-18	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	64U 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.60 Å R-free 0.247
3E6P Crystal structure of human meizothrombin desF1 提交 2008-08-15	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 364–622（259 aa）片段：Thrombin heavy chain: UNP residues 364-622 链 L 206–363（158 aa）片段：Activation peptide fragment 2 and thrombin light chain: UNP residues 206-363	未记录	SO4 SULFATE ION × 1 DFK D-PHENYLALANYL-N-[(1S)-4-{[(Z)-AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-L-PROLINAMIDE × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.6；295 K；0.2M Na2(SO4), 23% PEG 3350, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.10 Å R-free 0.249
3EE0 Crystal Structure of the W215A/E217A Mutant of Human Thrombin (space group P2(1)2(1)2(1)) 提交 2008-09-03	突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	突变：W215A, E217A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1M MES, 30% PEG 400, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.75 Å R-free 0.323
3EGK KNOBLE Inhibitor 提交 2008-09-10	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	M18 {(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.20 Å R-free 0.312
3EQ0 Thrombin Inhibitor 提交 2008-09-30	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	2TS (2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2R)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.53 Å R-free 0.249
3F68 Thrombin Inhibition 提交 2008-11-05	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：UNP residues 364-622, Thrombin heavy chain 链 L 328–363（36 aa）片段：UNP residues 328-363, Thrombin light chain	未记录	91U N-acetyl-3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.75 Å R-free 0.256
3GIC Structure of thrombin mutant delta(146-149e) in the free form 提交 2009-03-05	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20% PEG 20000, 100 mM Tris buffer, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.55 Å R-free 0.220
3GIS Crystal Structure of Na-free Thrombin in Complex with Thrombomodulin 提交 2009-03-06	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 315–363（49 aa）片段：Thrombin light-chain, UNP residues 315-363 链 B 364–622（259 aa）片段：Thrombin heavy-chain, UNP residues 364-622	突变：S195A	SO4 SULFATE ION × 7 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7；294 K；0.2M LiSO4, 22% PEG3350, pH7.0, vapor diffusion, temperature 294K, VAPOR DIFFUSION	分辨率 2.40 Å R-free 0.259
3GIS Crystal Structure of Na-free Thrombin in Complex with Thrombomodulin 提交 2009-03-06	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 C 315–363（49 aa）片段：Thrombin light-chain, UNP residues 315-363 链 D 364–622（259 aa）片段：Thrombin heavy-chain, UNP residues 364-622	突变：S195A	SO4 SULFATE ION × 5 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7；294 K；0.2M LiSO4, 22% PEG3350, pH7.0, vapor diffusion, temperature 294K, VAPOR DIFFUSION	分辨率 2.40 Å R-free 0.259
3GIS Crystal Structure of Na-free Thrombin in Complex with Thrombomodulin 提交 2009-03-06	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 E 315–363（49 aa）片段：Thrombin light-chain, UNP residues 315-363 链 F 364–622（259 aa）片段：Thrombin heavy-chain, UNP residues 364-622	突变：S195A	SO4 SULFATE ION × 3 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7；294 K；0.2M LiSO4, 22% PEG3350, pH7.0, vapor diffusion, temperature 294K, VAPOR DIFFUSION	分辨率 2.40 Å R-free 0.259
3HAT ACTIVE SITE MIMETIC INHIBITION OF THROMBIN 提交 1994-10-16	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 H 364–622（259 aa）链 L 328–363（36 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 2.50 Å
3HKJ Crystal structure of human thrombin mutant W215A/E217A in complex with the extracellular fragment of human PAR1 提交 2009-05-23	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 333–363（31 aa）片段：Light chain: UNP residues 333-363 链 B 364–622（259 aa）片段：Heavy chain: UNP residues 364-622	突变：W215A, E217A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；100mM HEPES pH 7.5, 20% PEG 10000, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.60 Å R-free 0.234
3HKJ Crystal structure of human thrombin mutant W215A/E217A in complex with the extracellular fragment of human PAR1 提交 2009-05-23	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 D 333–363（31 aa）片段：Light chain: UNP residues 333-363 链 E 364–622（259 aa）片段：Heavy chain: UNP residues 364-622	突变：W215A, E217A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；100mM HEPES pH 7.5, 20% PEG 10000, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.60 Å R-free 0.234
3HTC THE STRUCTURE OF A COMPLEX OF RECOMBINANT HIRUDIN AND HUMAN ALPHA-THROMBIN 提交 1993-06-11	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 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
3JZ1 Crystal structure of human thrombin mutant N143P in E:Na+ form 提交 2009-09-22	突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 328–363（36 aa）链 B 364–622（259 aa）	突变：N143P	NA SODIUM ION × 4 NO3 NITRATE ION × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.8；295 K；0.2M NaNO3 and 20% PEG 3350, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.60 Å R-free 0.216
3JZ1 Crystal structure of human thrombin mutant N143P in E:Na+ form 提交 2009-09-22	突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	突变：N143P	NA SODIUM ION × 2 NO3 NITRATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.8；295 K；0.2M NaNO3 and 20% PEG 3350, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.60 Å R-free 0.216
3JZ2 Crystal structure of human thrombin mutant N143P in E* form 提交 2009-09-22	突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	突变：N143P	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；0.1M imidazole and 7% PEG 8000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.40 Å R-free 0.246
3K65 Crystal Structure of Prethombin-2/Fragment-2 Complex 提交 2009-10-08	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 199–314（116 aa）片段：residues 199-314 链 B 315–622（308 aa）片段：residues 315-622	突变：S525A	BU1 1,4-BUTANEDIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.8；293 K；10% Buffer 1 mix, 10% Alcohols mix, 40% EDO-P8K mix, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.85 Å R-free 0.229
3LDX Discovery and Clinical Evaluation of RWJ-671818, a Thrombin Inhibitor with an Oxyguanidine P1 Motif 提交 2010-01-13	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NLI N-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2H)-yl}acetamide × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.25 Å R-free 0.224
3LU9 Crystal structure of human thrombin mutant S195A in complex with the extracellular fragment of human PAR1 提交 2010-02-17	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 318–363（46 aa）链 B 364–622（259 aa）	突变：S195A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.2；295 K；200mM K/Na tartrate, 20% PEG3350, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.80 Å R-free 0.236
3LU9 Crystal structure of human thrombin mutant S195A in complex with the extracellular fragment of human PAR1 提交 2010-02-17	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 D 318–363（46 aa）链 E 364–622（259 aa）	突变：S195A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.2；295 K；200mM K/Na tartrate, 20% PEG3350, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.80 Å R-free 0.236
3NXP Crystal structure of human prethrombin-1 提交 2010-07-14	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 199–622（424 aa）片段：UNP residues 199-622	突变：R271A, R284A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；100mM Tris-HCl, pH 8.5 and 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.20 Å R-free 0.226
3P17 Thrombin Inhibition by Pyridin Derivatives 提交 2010-09-30	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 99P D-phenylalanyl-N-(pyridin-3-ylmethyl)-L-prolinamide × 1 PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG 8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.43 Å R-free 0.176
3P6Z Structural basis of thrombin mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction 提交 2010-10-11	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：THROMBIN LIGHT CHAIN 链 B 364–622（259 aa）片段：THROMBIN HEAVY CHAIN	未记录	NA SODIUM ION × 3 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CL CHLORIDE ION × 3 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100 mM MOPS/HEPES-Na, pH 7.5, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG 3350, 12.5% (v/v) 2-methylpentane-2,4-diol (MPD), 30 mM Ca2+, 30 mM Mg2+, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.70 Å R-free 0.239
3P6Z Structural basis of thrombin mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction 提交 2010-10-11	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 G 328–363（36 aa）片段：THROMBIN LIGHT CHAIN 链 H 364–622（259 aa）片段：THROMBIN HEAVY CHAIN	未记录	NA SODIUM ION × 6 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100 mM MOPS/HEPES-Na, pH 7.5, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG 3350, 12.5% (v/v) 2-methylpentane-2,4-diol (MPD), 30 mM Ca2+, 30 mM Mg2+, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.70 Å R-free 0.239
3P70 Structural basis of thrombin-mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction 提交 2010-10-11	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）片段：THROMBIN LIGHT CHAIN 链 B 364–622（259 aa）片段：THROMBIN HEAVY CHAIN	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 BEN BENZAMIDINE × 1 NA SODIUM ION × 2 BGC beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100 mM MOPS/HEPES-Na, pH 7.5, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG 3350, 12.5% (v/v) 2-methylpentane-2,4-diol (MPD), 20 mM D-glucose, 20 mM D-mannose, 20 mM D-galactose, 20 mM L-fucose, 20 mM D-xylose, 20 mM N-acetyl-D-glucosamine , VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.55 Å R-free 0.279
3P70 Structural basis of thrombin-mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction 提交 2010-10-11	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 C 328–363（36 aa）片段：THROMBIN LIGHT CHAIN 链 D 364–622（259 aa）片段：THROMBIN HEAVY CHAIN	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 BEN BENZAMIDINE × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100 mM MOPS/HEPES-Na, pH 7.5, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG 3350, 12.5% (v/v) 2-methylpentane-2,4-diol (MPD), 20 mM D-glucose, 20 mM D-mannose, 20 mM D-galactose, 20 mM L-fucose, 20 mM D-xylose, 20 mM N-acetyl-D-glucosamine , VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.55 Å R-free 0.279
3P70 Structural basis of thrombin-mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction 提交 2010-10-11	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 其他组合异源复合物；蛋白 × 3 PDB 声明：trimeric	链 E 328–363（36 aa）片段：THROMBIN LIGHT CHAIN 链 F 364–622（259 aa）片段：THROMBIN HEAVY CHAIN	未记录	BEN BENZAMIDINE × 1 NA SODIUM ION × 1 BGC beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100 mM MOPS/HEPES-Na, pH 7.5, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG 3350, 12.5% (v/v) 2-methylpentane-2,4-diol (MPD), 20 mM D-glucose, 20 mM D-mannose, 20 mM D-galactose, 20 mM L-fucose, 20 mM D-xylose, 20 mM N-acetyl-D-glucosamine , VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.55 Å R-free 0.279
3P70 Structural basis of thrombin-mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction 提交 2010-10-11	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 4 其他组合异源复合物；蛋白 × 3 PDB 声明：trimeric	链 G 328–363（36 aa）片段：THROMBIN LIGHT CHAIN 链 H 364–622（259 aa）片段：THROMBIN HEAVY CHAIN	未记录	BEN BENZAMIDINE × 1 NA SODIUM ION × 2 BGC beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100 mM MOPS/HEPES-Na, pH 7.5, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG 3350, 12.5% (v/v) 2-methylpentane-2,4-diol (MPD), 20 mM D-glucose, 20 mM D-mannose, 20 mM D-galactose, 20 mM L-fucose, 20 mM D-xylose, 20 mM N-acetyl-D-glucosamine , VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.55 Å R-free 0.279
3PMH Mechanism of Sulfotyrosine-Mediated Glycoprotein Ib Interaction with Two Distinct alpha-Thrombin Sites 提交 2010-11-16	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	0G7 D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；277 K；16% PEG 6000, 0.2M ammonium phosphate, pH 7.0, VAPOR DIFFUSION, temperature 277K	分辨率 3.20 Å R-free 0.263
3PO1 Thrombin in complex with Benzothiazole Guanidine 提交 2010-11-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 334–360（27 aa）链 B 364–510（147 aa）链 C 518–619（102 aa）	未记录	MKY ethyl [(2Z)-2-(carbamimidoylimino)-6-hydroxy-1,3-benzothiazol-3(2H)-yl]acetate × 1 NA SODIUM ION × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 EVAPORATION；pH 7.3；298 K；0.05 M sodium phosphate, 28% PEG8000, pH 7.3, EVAPORATION, temperature 298K	分辨率 1.65 Å R-free 0.260
3QDZ Crystal structure of the human thrombin mutant D102N in complex with the extracellular fragment of human PAR4. 提交 2011-01-19	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 333–363（31 aa）链 B 364–622（259 aa）	突变：D102N	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；1.6 M tri-sodium citrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.80 Å R-free 0.364
3QDZ Crystal structure of the human thrombin mutant D102N in complex with the extracellular fragment of human PAR4. 提交 2011-01-19	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 C 333–363（31 aa）链 D 364–622（259 aa）	突变：D102N	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；1.6 M tri-sodium citrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.80 Å R-free 0.364
3QGN The allosteric E*-E equilibrium is a key property of the trypsin fold 提交 2011-01-24	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 333–363（31 aa）片段：unp residues 333-363 链 B 364–622（259 aa）片段：unp residues 364-622	突变：N143P	IOD IODIDE ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；0.2 M NH4I and 20 % PEG 3350, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.10 Å R-free 0.239
3QLP X-ray structure of the complex between human alpha thrombin and a modified thrombin binding aptamer (mTBA) 提交 2011-02-03	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1 K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.8；293 K；20% w/v PEG 20000, 0.2M ammonium sulfate, 3% n-propanol, 0.1 M sodium acetate pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.14 Å R-free 0.237
3QTO Thrombin Inhibition by Pyridin Derivatives 提交 2011-02-23	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 10P D-phenylalanyl-N-[(1-methylpyridinium-3-yl)methyl]-L-prolinamide × 1 GOL GLYCEROL × 1 PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG8000, 20mM sodium phophate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.52 Å R-free 0.165
3QTV Thrombin Inhibition by Pyridin Derivatives 提交 2011-02-23	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 06P D-phenylalanyl-N-[(1-methylpyridinium-4-yl)methyl]-L-prolinamide × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.63 Å R-free 0.176
3QWC Thrombin Inhibition by Pyridin Derivatives 提交 2011-02-28	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 GOL GLYCEROL × 1 98P D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.75 Å R-free 0.179
3QX5 Thrombin Inhibition by Pyridin Derivatives 提交 2011-03-01	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 02P D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-2-yl)methyl]-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.35 Å R-free 0.156
3R3G Structure of human thrombin with residues 145-150 of murine thrombin. 提交 2011-03-15	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 333–363（31 aa）片段：UNP Residues 333-363 链 B 364–622（259 aa）片段：UNP Residues 364-622	突变：K508R, A513T, V515I, G516N, K517E, G518I	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1 M MES, pH 6.5 and 20% PEG20000, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.75 Å R-free 0.222
3R3G Structure of human thrombin with residues 145-150 of murine thrombin. 提交 2011-03-15	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 333–363（31 aa）片段：UNP Residues 333-363 链 B 364–622（259 aa）片段：UNP Residues 364-622	突变：K508R, A513T, V515I, G516N, K517E, G518I	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 NA SODIUM ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1 M MES, pH 6.5 and 20% PEG20000, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.75 Å R-free 0.222
3RLW Human Thrombin in complex with MI328 提交 2011-04-20	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 S28 N-(benzylsulfonyl)glycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 3 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG 8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.69 Å R-free 0.192
3RLY Human Thrombin in complex with MI329 提交 2011-04-20	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 S29 N-(benzylsulfonyl)-D-alanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide × 2 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG 8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.51 Å R-free 0.172
3RM0 Human Thrombin in complex with MI354 提交 2011-04-20	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 S54 N-(benzylsulfonyl)-D-valyl-N-(4-carbamimidoylbenzyl)-L-prolinamide × 2 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG 8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.34 Å R-free 0.166
3RM2 Human Thrombin in complex with MI003 提交 2011-04-20	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 S00 N-(benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 2 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG 8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.23 Å R-free 0.163
3RML Human Thrombin in complex with MI331 提交 2011-04-21	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 M31 N-(benzylsulfonyl)glycyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide × 1 GOL GLYCEROL × 2 PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG 8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.53 Å R-free 0.186
3RMM Human Thrombin in complex with MI332 提交 2011-04-21	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 M32 N-(benzylsulfonyl)-D-alanyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide × 1 GOL GLYCEROL × 2 PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG 8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.58 Å R-free 0.179
3RMN Human Thrombin in complex with MI341 提交 2011-04-21	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 M41 N-(benzylsulfonyl)-D-valyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 2 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG 8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.78 Å R-free 0.185
3RMO Human Thrombin in complex with MI004 提交 2011-04-21	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 S04 N-(benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide × 1 GOL GLYCEROL × 2 PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG 8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.40 Å R-free 0.165
3S7H Structure of thrombin mutant Y225P in the E* form 提交 2011-05-26	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 329–363（35 aa）片段：Thrombin light chain 链 B 364–622（259 aa）片段：Thrombin heavy chain	突变：Y225P	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 8；295 K；0.1 M Tris and 8% PEG 8000 , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.90 Å R-free 0.204
3S7K Structure of thrombin mutant Y225P in the E form 提交 2011-05-26	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 329–363（35 aa）片段：Thrombin light chain 链 B 364–622（259 aa）片段：Thrombin heavy chain	突变：Y225P	K POTASSIUM ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；295 K；0.2 M K Formate, 20 % PEG 3350, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.90 Å R-free 0.217
3S7K Structure of thrombin mutant Y225P in the E form 提交 2011-05-26	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 329–363（35 aa）片段：Thrombin light chain 链 D 364–622（259 aa）片段：Thrombin heavy chain	突变：Y225P	K POTASSIUM ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；295 K；0.2 M K Formate, 20 % PEG 3350, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.90 Å R-free 0.217
3SHA Human Thrombin In Complex With UBTHR97 提交 2011-06-16	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 P97 D-phenylalanyl-N-[(4-chloropyridin-3-yl)methyl]-L-prolinamide × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 2 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.52 Å R-free 0.190
3SHC Human Thrombin In Complex With UBTHR101 提交 2011-06-16	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 B01 D-phenylalanyl-N-[(4-chloropyridin-2-yl)methyl]-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.90 Å R-free 0.197
3SI3 Human Thrombin In Complex With UBTHR103 提交 2011-06-17	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 GOL GLYCEROL × 1 PO4 PHOSPHATE ION × 1 B03 D-phenylalanyl-N-(pyridin-2-ylmethyl)-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.55 Å R-free 0.181
3SI4 Human Thrombin In Complex With UBTHR104 提交 2011-06-17	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 B04 D-phenylalanyl-N-[(1-methylpyridinium-2-yl)methyl]-L-prolinamide × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.27 Å R-free 0.159
3SQE Crystal structure of prethrombin-2 mutant S195A in the alternative form 提交 2011-07-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 333–622（290 aa）片段：unp residues 333-622	突变：S195A	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；0.1 M Tris, 11% PEG8000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.90 Å R-free 0.206
3SQH Crystal structure of prethrombin-2 mutant S195A in the the open form 提交 2011-07-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 333–622（290 aa）片段：unp residues 333-622	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 8.5；295 K；0.1 M Tris, 11% PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 295K, pH 8.5	分辨率 2.20 Å R-free 0.244
3SV2 Human Thrombin In Complex With UBTHR105 提交 2011-07-12	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 P05 D-phenylalanyl-N-(pyridin-4-ylmethyl)-L-prolinamide × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 3 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.30 Å R-free 0.165
3T5F Human Thrombin In Complex With MI340 提交 2011-07-27	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 M34 N-(benzylsulfonyl)-D-leucyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 3 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG 8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.45 Å R-free 0.172
3TU7 Human alpha-thrombin complexed with N-(methylsulfonyl)-D-phenylalanyl-N-((1-carbamimidoyl-4-piperidinyl)methyl)-l-prolinamide (BMS-189664) 提交 2011-09-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：Thrombin heavy chain 链 L 328–363（36 aa）片段：Thrombin light chain	未记录	0BM N-(methylsulfonyl)-D-phenylalanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-L-prolinamide × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.49 Å R-free 0.230
3U69 Unliganded wild-type human thrombin 提交 2011-10-12	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 364–622（259 aa）片段：unp residues 364-622 链 L 334–363（30 aa）片段：unp residues 334-363	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 BCN BICINE × 1 NA SODIUM ION × 1 IOD IODIDE ION × 1 CL CHLORIDE ION × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；50mM Tris, 50mM Bicine, 30mM NaF, 30mM NaBr, 30mM NaI, 11.5% MPD, 11.5% PEG 1000, 11.5% PEG 3350 , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.55 Å R-free 0.167
3U8O Human thrombin complexed with D-Phe-Pro-D-Arg-D-Thr 提交 2011-10-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 334–363（30 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1 IOD IODIDE ION × 1 CL CHLORIDE ION × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；293 K；50mM Tris, 50mM Bicine, 30mM NaF, 30mM NaBr, 30mM NaI, 11.5% MPD, 11.5% PEG-1000, 11.5% PEG-3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.28 Å R-free 0.149
3U8R Human thrombin complexed with D-Phe-Pro-D-Arg-Ile 提交 2011-10-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 334–363（30 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1 IOD IODIDE ION × 1 CL CHLORIDE ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；293 K；50mM Tris, 50mM Bicine, 30mM NaF, 30mM NaBr, 30mM NaI, 11.5% MPD, 11.5% PEG-1000, 11.5% PEG-3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.47 Å R-free 0.161
3U8T Human thrombin complexed with D-Phe-Pro-D-Arg-Cys 提交 2011-10-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 334–360（27 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1 IOD IODIDE ION × 1 CL CHLORIDE ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；50mM Tris, 50mM Bicine, 30mM NaF, 30mM NaBr, 30mM NaI, 11.5% MPD, 11.5% PEG-1000, 11.5% PEG-3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 8.5	分辨率 1.86 Å R-free 0.195
3U98 Human Thrombin In Complex With MI001 提交 2011-10-18	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 BJA (2S)-1-[(2R)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide × 1 PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.45 Å R-free 0.187
3U9A Human Thrombin In Complex With MI330 提交 2011-10-18	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 S33 (2S)-N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2S)-2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide × 1 GOL GLYCEROL × 2 PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.58 Å R-free 0.196
3UTU High affinity inhibitor of human thrombin 提交 2011-11-26	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	1TS (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2S)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PHOSPHATE BUFFER, SODIUM CHLORIDE, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.55 Å R-free 0.271
3UWJ Human Thrombin In Complex With MI353 提交 2011-12-02	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 TIF N-(benzylsulfonyl)-D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide × 2 PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；15% PEG 8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 1.50 Å R-free 0.183
3VXE Human alpha-thrombin-Bivalirudin complex at PD5.0 提交 2012-09-12	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；10% W/V PEG 4000, 100mm sodium acetate pD5.0 at room temperature, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.25 Å R-free 0.178
3VXF X/N Joint refinement of Human alpha-thrombin-Bivalirudin complex PD5 提交 2012-09-12	聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	实验方法未声明 X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；THE CRYSTAL WAS OBTAINED BY A SITTING DROP VAPOR DIFFUSION AFTER MACROSEEDING. 2% (W/V) TO 10% (W/V) PEG4000, 100MM SODIUM ACETATE PD5.0. THE INITIAL CONCENTRATION OF THROMBIN-BIVALIRUDIN COMPLEX WAS 5MG/ML, pH 5.00, VAPOR DIFFUSION, SITTING DROP, temperature 298K	分辨率未提供
4AX9 Human thrombin complexed with Napsagatran, RO0466240 提交 2012-06-11	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）片段：THROMBIN HEAVY CHAIN, RESIDUES 364-620 链 L 334–361（28 aa）片段：THROMBIN LIGHT CHAIN, RESIDUES 334-361	未记录	NA SODIUM ION × 2 N5N 2-[[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl] -cyclopropyl-amino]ethanoic acid × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.90 Å R-free 0.196
4AYV Human thrombin - inhibitor complex 提交 2012-06-22	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 332–361（30 aa）片段：LIGHT CHAIN, RESIDUES 332-361 链 B 364–620（257 aa）片段：HEAVY CHAIN, RESIDUES 364-620	未记录	9MQ {Benzyl-[(S)-3-[((S)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-amino}-acetic acid × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.80 Å R-free 0.192
4AYY Human thrombin - inhibitor complex 提交 2012-06-22	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 332–361（30 aa）片段：LIGHT CHAIN, RESIDUES 332-361 链 B 364–620（257 aa）片段：HEAVY CHAIN, RESIDUES 364-620	未记录	9MX (R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.60 Å R-free 0.197
4AZ2 Human thrombin - inhibitor complex 提交 2012-06-22	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 332–361（30 aa）片段：LIGHT CHAIN, RESIDUES 332-361 链 B 364–620（257 aa）片段：HEAVY CHAIN, RESIDUES 364-620	未记录	9MU (R)-N-((S)-1-CARBAMIMIDOYL-PIPERIDIN-3-YLMETHYL)-2-(NAPHTHALENE-2-SULFONYLAMINO)-3-PHENYL-PROPIONAMIDE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.60 Å R-free 0.190
4BAH Thrombin in complex with inhibitor 提交 2012-09-14	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MEL [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.94 Å R-free 0.194
4BAK Thrombin in complex with inhibitor 提交 2012-09-14	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 M67 (2S)-N-(4-CARBAMIMIDOYLBENZYL)-1-[(2R)-2-CYCLOHEXYL-2-{[2-OXO-2-(PROPYLAMINO)ETHYL]AMINO}ACETYL]AZETIDINE-2-CARBOXAMIDE × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.94 Å R-free 0.203
4BAM Thrombin in complex with inhibitor 提交 2012-09-14	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MM9 (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.88 Å R-free 0.195
4BAN Thrombin in complex with inhibitor 提交 2012-09-14	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 M6S (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.87 Å R-free 0.203
4BAO Thrombin in complex with inhibitor 提交 2012-09-14	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	MVF (2S)-1-[(2R)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.87 Å R-free 0.218
4BAQ Thrombin in complex with inhibitor 提交 2012-09-14	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 M4Z (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.89 Å R-free 0.221
4BOH Madanins (MEROPS I53) are cleaved by thrombin and factor Xa 提交 2013-05-20	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；0.1M TRIS-HCL PH 8.5, 0.2M LITHIUM SULFATE, 25% (W/V) PEG 3350	分辨率 2.60 Å R-free 0.239
4BOH Madanins (MEROPS I53) are cleaved by thrombin and factor Xa 提交 2013-05-20	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 364–622（259 aa）链 B 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；0.1M TRIS-HCL PH 8.5, 0.2M LITHIUM SULFATE, 25% (W/V) PEG 3350	分辨率 2.60 Å R-free 0.239
4CH2 Low-salt crystal structure of a thrombin-GpIbalpha peptide complex 提交 2013-11-28	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	GOL GLYCEROL × 2 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.4；50 MM SODIUM FORMATE, 16% PEG-3350, pH 7.4	分辨率 1.60 Å R-free 0.187
4CH2 Low-salt crystal structure of a thrombin-GpIbalpha peptide complex 提交 2013-11-28	配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 C 328–363（36 aa）链 D 364–622（259 aa）	未记录	GOL GLYCEROL × 2 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.4；50 MM SODIUM FORMATE, 16% PEG-3350, pH 7.4	分辨率 1.60 Å R-free 0.187
4CH8 High-salt crystal structure of a thrombin-GpIbalpha peptide complex 提交 2013-11-29	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）片段：HEAVY CHAIN	未记录	NA SODIUM ION × 1 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.4；100 MM SODIUM FORMATE, 18% PEG-3350, pH 7.4	分辨率 1.75 Å R-free 0.242
4CH8 High-salt crystal structure of a thrombin-GpIbalpha peptide complex 提交 2013-11-29	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 C 328–363（36 aa）链 D 364–622（259 aa）片段：HEAVY CHAIN	未记录	NA SODIUM ION × 1 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.4；100 MM SODIUM FORMATE, 18% PEG-3350, pH 7.4	分辨率 1.75 Å R-free 0.242
4CH8 High-salt crystal structure of a thrombin-GpIbalpha peptide complex 提交 2013-11-29	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 E 328–363（36 aa）链 F 364–622（259 aa）片段：HEAVY CHAIN	未记录	NA SODIUM ION × 1 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.4；100 MM SODIUM FORMATE, 18% PEG-3350, pH 7.4	分辨率 1.75 Å R-free 0.242
4CH8 High-salt crystal structure of a thrombin-GpIbalpha peptide complex 提交 2013-11-29	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 G 328–363（36 aa）链 H 364–622（259 aa）片段：HEAVY CHAIN	未记录	NA SODIUM ION × 1 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.4；100 MM SODIUM FORMATE, 18% PEG-3350, pH 7.4	分辨率 1.75 Å R-free 0.242
4DIH X-ray structure of the complex between human alpha thrombin and thrombin binding aptamer in the presence of sodium ions 提交 2012-01-31	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）片段：Heavy chain fragment (UNP Residues 364-622) 链 L 328–363（36 aa）片段：Light chain fragment (UNP Residues 328-363)	未记录	ZN ZINC ION × 3 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；293 K；10-15% w/v polyethylene glycol 8000, 0.05 M zinc acetate, 0.1 M sodium cacodylate , pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.80 Å R-free 0.213
4DII X-ray structure of the complex between human alpha thrombin and thrombin binding aptamer in the presence of potassium ions 提交 2012-01-31	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）片段：Heavy chain (UNP Residues 364-622) 链 L 328–363（36 aa）片段：Light chain (UNP Residues 328-363)	未记录	ZN ZINC ION × 2 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1 CL CHLORIDE ION × 2 K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；293 K；10-15% w/v polyethylene glycol 8000, 0.05 M zinc acetate, 0.1 M sodium cacodylate , pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.05 Å R-free 0.226
4DT7 Crystal structure of thrombin bound to the activation domain QEDQVDPRLIDGKMTRRGDS of protein C 提交 2012-02-20	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 332–363（32 aa）链 B 364–622（259 aa）	突变：S195A	NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 0.2 M Na acetate, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.90 Å R-free 0.218
4DT7 Crystal structure of thrombin bound to the activation domain QEDQVDPRLIDGKMTRRGDS of protein C 提交 2012-02-20	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 C 332–363（32 aa）链 D 364–622（259 aa）	突变：S195A	NA SODIUM ION × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 0.2 M Na acetate, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.90 Å R-free 0.218
4DY7 Crystal structures of protease nexin-1 in complex with S195A thrombin 提交 2012-02-28	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 315–363（49 aa）片段：UNP residues 315-363 链 B 364–622（259 aa）	突变：S195A	ACT ACETATE ION × 3 CA CALCIUM ION × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.4；295 K；0.14M calcium acetate, 13% PEG3350, pH 7.4, VAPOR DIFFUSION, temperature 295K	分辨率 2.80 Å R-free 0.268
4DY7 Crystal structures of protease nexin-1 in complex with S195A thrombin 提交 2012-02-28	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 D 315–363（49 aa）片段：UNP residues 315-363 链 E 364–622（259 aa）	突变：S195A	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.4；295 K；0.14M calcium acetate, 13% PEG3350, pH 7.4, VAPOR DIFFUSION, temperature 295K	分辨率 2.80 Å R-free 0.268
4E05 Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism 提交 2012-03-02	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：heavy chain (UNP residues 364-622) 链 L 328–363（36 aa）片段：light chain (UNP residues 328-363)	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100 mM HEPES, pH 7.5, 1.4 M tri-sodium citrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.30 Å R-free 0.201
4E06 Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism 提交 2012-03-02	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：heavy chain (UNP residues 364-622) 链 L 328–363（36 aa）片段：light chain (UNP residues 328-363)	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；100 mM sodium acetate, pH 4.5, 3 M sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 3.20 Å R-free 0.208
4E7R Thrombin in complex with 3-amidinophenylalanine inhibitor 提交 2012-03-19	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 0NW 3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide × 1 NA SODIUM ION × 2 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；277.15 K；15% PEG8000, 20MM SODIUM PHOSPHATE, 175MM SODIUM CHLORIDE, PH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 2.25 Å R-free 0.223
4E7R Thrombin in complex with 3-amidinophenylalanine inhibitor 提交 2012-03-19	配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 G 364–622（259 aa）链 M 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 0NW 3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide × 1 NA SODIUM ION × 2 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；277.15 K；15% PEG8000, 20MM SODIUM PHOSPHATE, 175MM SODIUM CHLORIDE, PH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 2.25 Å R-free 0.223
4H6S Crystal structure of thrombin mutant E14eA/D14lA/E18A/S195A 提交 2012-09-19	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 333–363（31 aa）链 B 364–622（259 aa）	突变：E14eA,D14lA,E18A,S195A	NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.3；295 K；0.2M NH4Cl and 20% PEG 3350, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.19 Å R-free 0.259
4H6T Crystal structure of prethrombin-2 mutant E14eA/D14lA/E18A/S195A 提交 2012-09-19	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 317–622（306 aa）	突变：E14eA,D14lA,E18A,S195A	PO4 PHOSPHATE ION × 7	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.7；295 K；0.2M KH2PO4 and 20% PEG 3350, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.40 Å R-free 0.253
4HFP Structure of thrombin mutant S195a bound to the active site inhibitor argatroban 提交 2012-10-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 333–363（31 aa）链 B 364–622（259 aa）	突变：S195A	NA SODIUM ION × 1 15U (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.6；295 K；100mM Na acetate pH 4.6 and 25% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.40 Å R-free 0.238
4HFP Structure of thrombin mutant S195a bound to the active site inhibitor argatroban 提交 2012-10-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 333–363（31 aa）链 D 364–622（259 aa）	突变：S195A	NA SODIUM ION × 1 15U (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.6；295 K；100mM Na acetate pH 4.6 and 25% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.40 Å R-free 0.238
4HTC THE REFINED STRUCTURE OF THE HIRUDIN-THROMBIN COMPLEX 提交 1993-06-25	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.30 Å
4HTC THE REFINED STRUCTURE OF THE HIRUDIN-THROMBIN COMPLEX 提交 1993-06-25	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 6 PDB 声明：hexameric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.30 Å
4HZH Structure of recombinant Gla-domainless prothrombin mutant S525A 提交 2012-11-15	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 90–622（533 aa）片段：UNP residues 90-622	突变：S525A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；100 mM Tris-Hcl, pH 8.5 and 25% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 3.30 Å R-free 0.329
4HZH Structure of recombinant Gla-domainless prothrombin mutant S525A 提交 2012-11-15	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 90–622（533 aa）片段：UNP residues 90-622	突变：S525A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；100 mM Tris-Hcl, pH 8.5 and 25% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 3.30 Å R-free 0.329
4I7Y Crystal Structure of Human Alpha Thrombin in Complex with a 27-mer Aptamer Bound to Exosite II 提交 2012-12-01	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）片段：HEAVY CHAIN (UNP Residues 364-622) 链 L 328–363（36 aa）片段：LIGHT CHAIN (UNP Residues 328-363)	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；14% PEG 3350, 0.2 M sodium citrate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.40 Å R-free 0.249
4LOY Crystal Structure Analysis of thrombin in complex with compound D57, 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2- oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1- yl)-3-oxopropyl]amide (SAR107375) 提交 2013-07-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–620（257 aa）片段：unp residues 364-620 链 L 334–360（27 aa）片段：unp residues 334-360	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 6XS 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.2；278 K；0.1 M SODIUM PHASPHATE PH=7.3, 20% PEG8000, 5MG/ML THROMBIN, 0.2 M NACL, 1 mM INHIBNITOR, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 278K	分辨率 1.77 Å R-free 0.208
4LXB Crystal Structure Analysis of thrombin in complex with compound D58 提交 2013-07-29	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 7R9 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.2；277 K；0.1 M SODIUM PHASPHATE PH=7.3, 20% PEG8000, 5MG/ML THROMBIN, 0.2 M NACL, 1 mM INHIBNITOR, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.61 Å R-free 0.228
4LZ1 X-ray structure of the complex between human thrombin and the TBA deletion mutant lacking thymine 12 nucleobase 提交 2013-07-31	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 K POTASSIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.8；293 K；PEG 3350 25%, 0.2 M ammonium acetate, 0.1 M Bis/Tris, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.65 Å R-free 0.190
4LZ4 X-ray structure of the complex between human thrombin and the TBA deletion mutant lacking thymine 3 nucleobase 提交 2013-07-31	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；60% Tacsimate, 1-3% MPEG 5K or PEG 8000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.56 Å R-free 0.227
4LZ4 X-ray structure of the complex between human thrombin and the TBA deletion mutant lacking thymine 3 nucleobase 提交 2013-07-31	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 C 328–363（36 aa）链 D 364–622（259 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；60% Tacsimate, 1-3% MPEG 5K or PEG 8000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.56 Å R-free 0.227
4MLF Crystal structure for the complex of thrombin mutant D102N and hirudin 提交 2013-09-06	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 331–363（33 aa）片段：Thrombin light chain (UNP residues 331-363) 链 B 364–622（259 aa）片段：Thrombin heavy chain (UNP residues 364-622)	突变：D102N	NA SODIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ACT ACETATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；20% PEG 3350, 0.2M Ca acetate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.20 Å R-free 0.234
4NZQ Crystal structure of Ca2+-free prothrombin deletion mutant residues 146-167 提交 2013-12-12	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 44–188（145 aa）链 A 211–622（412 aa）	突变：deletion mutant residues 146-167 非标准单体：是（mmCIF未提供具体位点）突变：deletion mutant residues 146-167 非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris-HCl, pH 8.5 and 30% PEG300, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.81 Å R-free 0.279
4O03 Crystal structure of Ca2+ bound prothrombin deletion mutant residues 146-167 提交 2013-12-13	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 44–188（145 aa）链 A 211–622（412 aa）	突变：deletion mutant residues 146-167 非标准单体：是（mmCIF未提供具体位点）突变：deletion mutant residues 146-167 非标准单体：是（mmCIF未提供具体位点）	CA CALCIUM ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100 mM HEPES, pH 7.5, 10% PEG 4000 and 5% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 3.38 Å R-free 0.279
4RKJ Crystal structure of thrombin mutant S195T (free form) 提交 2014-10-13	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 330–363（34 aa）链 B 364–622（259 aa）	突变：S195T	K POTASSIUM ION × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；0.2 M K formate and 21% PEG3350, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.70 Å R-free 0.207
4RKO Crystal structure of thrombin mutant S195T bound with PPACK 提交 2014-10-13	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 322–363（42 aa）链 B 364–622（259 aa）	突变：S195T	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 GOL GLYCEROL × 2 NA SODIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES, pH 6.5, 15% PEG 6000 and 5% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.84 Å R-free 0.202
4RN6 Structure of prethrombin-2 mutant s195a bound to the active site inhibitor argatroban 提交 2014-10-23	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 333–622（290 aa）片段：UNP residues 333-622	突变：S195A	15U (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；100 mM TRIS PH 8.5, 200 mM LI2SO4 AND 30% PEG 3000, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K	分辨率 3.00 Å R-free 0.343
4RN6 Structure of prethrombin-2 mutant s195a bound to the active site inhibitor argatroban 提交 2014-10-23	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 333–622（290 aa）片段：UNP residues 333-622	突变：S195A	15U (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；100 mM TRIS PH 8.5, 200 mM LI2SO4 AND 30% PEG 3000, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K	分辨率 3.00 Å R-free 0.343
4THN THE CRYSTAL STRUCTURE OF ALPHA-THROMBIN-HIRUNORM IV COMPLEX REVEALS A NOVEL SPECIFICITY SITE RECOGNITION MODE. 提交 1998-09-18	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；pH 7.0	分辨率 2.50 Å
4UD9 Thrombin in complex with 5-chlorothiophene-2-carboxamide 提交 2014-12-09	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：THROMBIN HEAVY CHAIN, UNP RESIDUES 364-622 链 L 333–360（28 aa）片段：THROMBIN LIGHT CHAIN, UNP RESIDUES 333-360	未记录	NA SODIUM ION × 2 PO4 PHOSPHATE ION × 1 DMS DIMETHYL SULFOXIDE × 2 GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 2 FQI 5-CHLORO-2-THIOPHENECARBOXAMIDE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；SEE MATERIALS AND METHODS SECTION OF PUBLICATION, pH 7.5	分辨率 1.12 Å R-free 0.141
4UDW Thrombin in complex with 1-(2R)-2-amino-3-phenyl-propanoyl-N-(2, 5dichlorophenyl)methylpyrrolidine-2-carboxamide 提交 2014-12-12	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）片段：THROMBIN HEAVY CHAIN, UNP RESIDUES 364-620 链 L 333–360（28 aa）片段：THROMBIN LIGHT CHAIN, UNP RESIDUES 333-360	未记录	NA SODIUM ION × 2 N6L D-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；SEE MATERIALS AND METHODS SECTION OF PUBLICATION, pH 7.5	分辨率 1.16 Å R-free 0.141
4UE7 Thrombin in complex with 1-amidinopiperidine 提交 2014-12-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）片段：THROMBIN HEAVY CHAIN, UNP RESIDUES 364-621 链 L 333–360（28 aa）片段：THROMBIN LIGHT CHAIN, UNP RESIDUES 333-360	未记录	IOD IODIDE ION × 1 GOL GLYCEROL × 3 NA SODIUM ION × 2 PO4 PHOSPHATE ION × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 1 MRZ piperidine-1-carboximidamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；SEE MATERIALS AND METHODS SECTION OF PUBLICATION, pH 7.5	分辨率 1.13 Å R-free 0.139
4UEH Thrombin in complex with benzamidine 提交 2014-12-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）片段：THROMBIN HEAVY CHAIN, UNP RESIDUES 364-621 链 L 333–361（29 aa）片段：THROMBIN LIGHT CHAIN, UNP RESIDUES 333-361	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 BEN BENZAMIDINE × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；SEE MATERIALS AND METHODS SECTION OF PUBLICATION, pH 7.5	分辨率 1.16 Å R-free 0.138
4UFD Thrombin in complex with 4-(((1-((2S)-1-((2R)-2-(benzylsulfonylamino)- 3-phenyl-propanoyl)pyrrolidin-2-yl)-1-oxo-ethyl)amino)methyl) benzamidine 提交 2015-03-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）片段：RESIDUES 364-621 链 L 333–361（29 aa）片段：RESIDUES 333-361	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 GOL GLYCEROL × 2 S49 (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide × 1 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；SEE MATERIALS AND METHODS SECTION OF PUBLICATION, pH 7.5	分辨率 1.43 Å R-free 0.159
4UFE Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-butyl)-3-phenyl-propanamide 提交 2015-03-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）片段：RESIDUES 364-621 链 L 333–361（29 aa）片段：RESIDUES 333-361	未记录	NA SODIUM ION × 2 3ZD (2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide × 1 PO4 PHOSPHATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；SEE MATERIALS AND METHODS SECTION OF PUBLICATION, PH 7.5	分辨率 1.59 Å R-free 0.182
4UFF Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl- propanamide 提交 2015-03-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）片段：RESIDUES 364-621 链 L 333–361（29 aa）片段：RESIDUES 333-361	未记录	NA SODIUM ION × 2 6V2 (2R)-2-(benzylsulfonylamino)-N-(2-((4-carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl-propanamide × 1 PO4 PHOSPHATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；SEE MATERIALS AND METHODS SECTION OF PUBLICATION, pH 7.5	分辨率 1.55 Å R-free 0.187
4UFG Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-((1S)-2-((4- carbamimidoylphenyl)methylamino)-1-methyl-2-oxo-ethyl)-N-methyl-3- phenyl-propanamide ethane 提交 2015-03-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）片段：RESIDUES 364-621 链 L 333–361（29 aa）片段：RESIDUES 333-361	未记录	NA SODIUM ION × 2 D6J (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide × 1 PO4 PHOSPHATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；SEE MATERIALS AND METHODS SECTION OF PUBLICATION, pH 7.5	分辨率 1.65 Å R-free 0.186
4YES Thrombin in complex with (S)-(4-chloro-2-((1-(5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxamido)methyl)phenyl)methanaminium 提交 2015-02-24	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	MG MAGNESIUM ION × 1 GOL GLYCEROL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 45S N-[2-(aminomethyl)-5-chlorobenzyl]-1-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；28 % PEG 2000 MMe, 100mM BisTris	分辨率 1.50 Å R-free 0.234
5A2M Thrombin Inhibitor 提交 2015-05-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）片段：THROMBIN HEAVY CHAIN, UNP RESIDUES 364-621 链 L 333–361（29 aa）片段：THROMBIN LIGHT CHAIN, UNP RESIDUES 333-361	未记录	GOL GLYCEROL × 1 NA SODIUM ION × 2 WX5 (2S)-1-[(2R)-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]-N-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；SEE MATERIALS&METHODS OF PUBLICATION, pH 7.5	分辨率 1.40 Å R-free 0.159
5AF9 Thrombin in complex with 4-Methoxy-N-(2-pyridinyl)benzamide 提交 2015-01-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）片段：THROMBIN HEAVY CHAIN, UNP RESIDUES 364-621 链 L 333–361（29 aa）片段：THROMBIN LIGHT CHAIN, UNP RESIDUES 333-361	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 DMS DIMETHYL SULFOXIDE × 2 SJR 4-methoxy-N-(pyridin-2-yl)benzamide × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；SEE MATERIALS AND METHODS SECTION OF PUBLICATION, pH 7.5	分辨率 1.18 Å R-free 0.137
5AFY Thrombin in complex with 3-chloro-benzamide 提交 2015-01-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）片段：RESIDUES 364-621 链 L 333–361（29 aa）片段：RESIDUES 333-361	未记录	NA SODIUM ION × 2 WCE 3-CHLORO-BENZAMIDE × 1 DMS DIMETHYL SULFOXIDE × 2 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；SEE MATERIALS AND METHODS SECTION OF PUBLICATION, pH 7.5	分辨率 1.12 Å R-free 0.138
5AFZ Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-propyl)-3-phenyl-propanamide 提交 2015-01-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）片段：RESIDUES 364-621 链 L 333–361（29 aa）片段：RESIDUES 333-361	未记录	NA SODIUM ION × 2 UET N-(BENZYLSULFONYL)-D-PHENYLALANYL-N-(4-CARBAMIMIDOYLBENZYL)GLYCINAMIDE × 1 PO4 PHOSPHATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；SEE MATERIALS AND METHODS SECTION OF PUBLICATION, pH 7.5	分辨率 1.53 Å R-free 0.174
5AHG Thrombin in complex with ((4-chlorophenyl)sulfamoyl))diemethylamine 提交 2015-02-06	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）片段：RESIDUES 364-621 链 L 333–361（29 aa）片段：RESIDUES 333-361	未记录	NA SODIUM ION × 2 DMS DIMETHYL SULFOXIDE × 2 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 Y4L ((4-Chlorophenyl)sulfamoyl))dimethylamine × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；SEE MATERIAL AND METHODS SECTION OF PUBLICATION, pH 7.5	分辨率 1.24 Å R-free 0.144
5CMX X-ray structure of the complex between human alpha thrombin and a duplex/quadruplex 31-mer DNA aptamer 提交 2015-07-17	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.2 M sodium malonate pH 7, 18 % PEG 3350	分辨率 2.98 Å R-free 0.231
5DO4 Thrombin-RNA aptamer complex 提交 2015-09-10	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–621（258 aa）链 L 328–363（36 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 4 GOL GLYCEROL × 2 CA CALCIUM ION × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；5% [w/v] PEG-6000, 2.5% v/v (+/-)-2-Methyl-2,4-pentanediol, 50 mM HEPES	分辨率 1.86 Å R-free 0.224
5E8E Crystal structure of thrombin bound to an exosite 1-specific IgA Fab 提交 2015-10-14	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 H 364–622（259 aa）链 L 328–363（36 aa）片段：COAGULATION FACTOR II	未记录	PEG DI(HYDROXYETHYL)ETHER × 3 PO4 PHOSPHATE ION × 5 CIT CITRIC ACID × 1 NA SODIUM ION × 1 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 4.2；298 K；100MM SODIUM PHOSPHATE/CITRATE, PH 4.2, 40% PEG300	分辨率 1.90 Å R-free 0.244
5EDK Crystal structure of prothrombin deletion mutant residues 146-167 ( Form II ). 提交 2015-10-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 44–622（579 aa）	突变：Deletion mutant residues 146-167 非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MG MAGNESIUM ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 9.1；293 K；0.2 M di-Na hydrogen phosphate and 20% PEG 3350	分辨率 3.21 Å R-free 0.323
5EDM Crystal structure of prothrombin deletion mutant residues 154-167 ( Form I ) 提交 2015-10-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 44–622（579 aa）	突变：deletion mutant residues 154-167 非标准单体：是（mmCIF未提供具体位点）	MG MAGNESIUM ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 9 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES, pH 6.5 and 1.6 M MgSO4	分辨率 2.20 Å R-free 0.236
5EW1 Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT3 提交 2015-11-20	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；28% MPEG 2000, 0.1 M Bis/Tris pH 6.5	分辨率 2.95 Å R-free 0.208
5EW2 Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT12 提交 2015-11-20	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；298 K；18% PEG 3350, 0.2 M Sodium Formate, 2% acetonitrile	分辨率 3.59 Å R-free 0.268
5GDS HIRUNORMS ARE TRUE HIRUDIN MIMETICS. THE CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN:HIRUNORM V COMPLEX 提交 1997-07-17	配体/离子不同实验环境不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7；277 K；THE CRYSTALS OF THROMBIN:HIRUNORM V COMPLEX WERE GROWN, AS DESCRIBED BY SKRZYPEZAK ET AL. (1991) J. MOL. BIOL.,221,1379-1393 BY VAPOR DIFFUSION METHODS AT 4 C. A 6 MICROLITER DROP, CONTAINING 0.05 M SODIUM HEPES (PH 7.0) 10% (W/V) PEG 4000 0.02% NAN3, 20 MG/ML. THROMBIN:HIRUNORM V COMPLEX WAS EQUILIBRATED AGAINST A PRECIPITATING SOLUTION CONTAINING 0.1 M SODIUM HEPES (PH 7.0) 20% (W/V) PEG 4000 0.04% NAN3. CRYSTAL OF THROMBIN:HIRUGEN COMPLEX WERE CRUSHED AND INDIVIDUAL SEEDS WERE USED FOR CROSS-SEEDING EXPERIMENTS., vapor diffusion, temperature 277K	分辨率 2.10 Å
5GIM Crystal structure of thrombin-avathrin complex 提交 2016-06-24	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 328–363（36 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 7.4；277 K；0.1M HEPES, 20-25% PEG 8000	分辨率 2.09 Å R-free 0.216
5JDU Crystal structure for human thrombin mutant D189A 提交 2016-04-17	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 331–363（33 aa）链 B 364–622（259 aa）	突变：D189A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.9；295 K；200 mM KCl and 20% PEG 3350	分辨率 1.70 Å R-free 0.206
5JDU Crystal structure for human thrombin mutant D189A 提交 2016-04-17	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 331–363（33 aa）链 D 364–622（259 aa）	突变：D189A	CL CHLORIDE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.9；295 K；200 mM KCl and 20% PEG 3350	分辨率 1.70 Å R-free 0.206
5JFD Thrombin in complex with (S)-N-(2-(aminomethyl)-5-chlorobenzyl)-1-((benzylsulfonyl)-D-arginyl)pyrrolidine-2-carboxamide 提交 2016-04-19	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	2TS (2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2R)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；20 mM Sodium dihydrogen phosphate ph 7.5, 350 mM NACl, 27% PEG 8000,	分辨率 1.46 Å R-free 0.163
5JZY Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide 提交 2016-05-17	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 DMS DIMETHYL SULFOXIDE × 3 PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2 6OV 3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；20 mM Sodium dihydrogen phosphate ph 7.5, 350 mM NaCl, 27% PEG 8000	分辨率 1.27 Å R-free 0.142
5L6N Disulfated madanin-thrombin complex 提交 2016-05-30	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M MMT buffer pH 7.0, 30% (w/v) PEG 1500	分辨率 1.63 Å R-free 0.199
5LCE Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(5-chloro-2-(hydroxymethyl)benzy l)pyrrolidine-2-carboxamide 提交 2016-06-21	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	6TH (2~{S})-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PO4 PHOSPHATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 NA SODIUM ION × 2 EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；20 mM Sodium dihydrogen phosphate ph 7.5, 350 mM NaCl 27% PEG 8000	分辨率 1.39 Å R-free 0.168
5LPD Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(2-(aminomethyl)-5-chlorobenzyl) pyrrolidine-2-carboxamide 提交 2016-08-12	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 71U (2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；20 mM Sodium dihydrogen phosphate ph 7.5, 350 mM NaCl, 27% PEG 8000	分辨率 1.50 Å R-free 0.170
5MJT Thrombin Mutant A190S in complex with (S) -1 - ((R) -2-amino-3,3-diphenylpropanoyl) -N- (3-chlorobenzyl) pyrrolidine-2-carboxamide 提交 2016-12-01	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	23U beta-phenyl-D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide × 1 DMS DIMETHYL SULFOXIDE × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 5 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20 mM Sodium dihydrogen phosphate ph 7.5, 350 mM NaCl, 27% PEG 8000	分辨率 1.40 Å R-free 0.172
5MLS Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(3-chlorobenzyl)pyrrolidine-2-carboxamide 提交 2016-12-07	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	22U D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide × 1 DMS DIMETHYL SULFOXIDE × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 6 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20 mM Sodium dihydrogen phosphate ph 7.5, 350 mM NaCl, 27% PEG 8000	分辨率 1.62 Å R-free 0.180
5MM6 Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide 提交 2016-12-08	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	GOL GLYCEROL × 5 DMS DIMETHYL SULFOXIDE × 2 PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2 32U D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20 mM sodium dihydrogen phosphate ph 7.5, 350 mM NaCl, 27% PEG 8000	分辨率 1.29 Å R-free 0.142
5NHU HUMAN ALPHA THROMBIN COMPLEXED WITH ANOPHELES GAMBIAE cE5 ANTICOAGULANT 提交 2017-03-22	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；Drops consisting of equal volumes (1 microliter) of protein complex (at 6.4 mg/mL) and precipitant solution (0.1M PCTP pH 5.0, 25% w/v PEG 1500) equilibrated against a 300 microliter reservoir.	分辨率 1.45 Å R-free 0.203
5NHU HUMAN ALPHA THROMBIN COMPLEXED WITH ANOPHELES GAMBIAE cE5 ANTICOAGULANT 提交 2017-03-22	配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 364–622（259 aa）链 B 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；Drops consisting of equal volumes (1 microliter) of protein complex (at 6.4 mg/mL) and precipitant solution (0.1M PCTP pH 5.0, 25% w/v PEG 1500) equilibrated against a 300 microliter reservoir.	分辨率 1.45 Å R-free 0.203
5NHU HUMAN ALPHA THROMBIN COMPLEXED WITH ANOPHELES GAMBIAE cE5 ANTICOAGULANT 提交 2017-03-22	配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 C 364–622（259 aa）链 D 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；Drops consisting of equal volumes (1 microliter) of protein complex (at 6.4 mg/mL) and precipitant solution (0.1M PCTP pH 5.0, 25% w/v PEG 1500) equilibrated against a 300 microliter reservoir.	分辨率 1.45 Å R-free 0.203
5TO3 Crystal structure of thrombin mutant W215A/E217A fused to EGF456 of thrombomodulin via a 31-residue linker and bound to PPACK 提交 2016-10-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 信息不足异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 318–363（46 aa）链 B 364–621（258 aa）	突变：W215A, E217A	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 K POTASSIUM ION × 1 NA SODIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；100 mM HEPES and 20% PEG 8000	分辨率 2.34 Å R-free 0.255
5Z5W VFR12 in complex with LPS micelles 提交 2018-01-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 606–617（12 aa）	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 4.5；298 K；离子强度（mmCIF原始值）0；压力 1 NMR样品组成 0.5 mM Thrombin C-terminal Peptide, 90% H2O/10% D2O \| 90% H2O/10% D2O	分辨率未提供
5Z5X HVF18 in complex with LPS micelles 提交 2018-01-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 605–622（18 aa）	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 4.5；298 K；离子强度（mmCIF原始值）0；压力 1 NMR样品组成 0.5 mM HVF18, 90% H2O/10% D2O \| 90% H2O/10% D2O	分辨率未提供
6BJR Crystal structure of prothrombin mutant S101C/A470C 提交 2017-11-06	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 44–622（579 aa）	突变：S101C, A470C 非标准单体：是（mmCIF未提供具体位点）	MG MAGNESIUM ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 8.5；277 K；100 mM Bicine, pH 8.5 and 16% PEG3350	分辨率 6.00 Å R-free 0.293
6C2W Crystal structure of human prothrombin mutant S101C/A470C 提交 2018-01-09	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 44–622（579 aa）	突变：S101C, A470C 非标准单体：是（mmCIF未提供具体位点）	MG MAGNESIUM ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 9；277 K；100 mM Bicine, pH 9.0 and 11% PEG 3350	分辨率 4.12 Å R-free 0.333
6C2W Crystal structure of human prothrombin mutant S101C/A470C 提交 2018-01-09	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 B 44–622（579 aa）	突变：S101C, A470C 非标准单体：是（mmCIF未提供具体位点）	MG MAGNESIUM ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 9；277 K；100 mM Bicine, pH 9.0 and 11% PEG 3350	分辨率 4.12 Å R-free 0.333
6CYM Reversible Covalent Direct Thrombin Inhibitors 提交 2018-04-06	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 364–622（259 aa）链 B 334–361（28 aa）	未记录	71F 2-methoxybenzoic acid × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；294 K；For complex formation, 2 mg human alpha-thrombin (7.1 mg/mL in 50% v/v glycerol) were mixed with 0.5 mM Compound 1 in DMSO and dialyzed overnight into a solution of 20 mM sodium citrate and 1.3 mM Na2SO4 (pH 5.8). After dialysis, another 0.5 mM compound were added and left to incubate at room temperature for 1 h. The protein was centrifuged for 5 min at 4 deg C and 8000x RCF. The pellet, including about 120 uL of buffer, was mixed with 100 uL of a solution containing 50 mM sodium phosphate (pH 7.3), 190 mM sodium chloride, and 0.2 mM Compound 1. The crystal used for data collection was grown from the JCSG+ screen in well A10. The crystal was grown at 20 deg C using a MRC 3-well plate and in a 150 + 150 nL drop with a reservoir of 0.2 M potassium formate and 20% w/v PEG-3350.	分辨率 2.90 Å R-free 0.254
6CYM Reversible Covalent Direct Thrombin Inhibitors 提交 2018-04-06	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 364–622（259 aa）链 D 334–361（28 aa）	未记录	71F 2-methoxybenzoic acid × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；294 K；For complex formation, 2 mg human alpha-thrombin (7.1 mg/mL in 50% v/v glycerol) were mixed with 0.5 mM Compound 1 in DMSO and dialyzed overnight into a solution of 20 mM sodium citrate and 1.3 mM Na2SO4 (pH 5.8). After dialysis, another 0.5 mM compound were added and left to incubate at room temperature for 1 h. The protein was centrifuged for 5 min at 4 deg C and 8000x RCF. The pellet, including about 120 uL of buffer, was mixed with 100 uL of a solution containing 50 mM sodium phosphate (pH 7.3), 190 mM sodium chloride, and 0.2 mM Compound 1. The crystal used for data collection was grown from the JCSG+ screen in well A10. The crystal was grown at 20 deg C using a MRC 3-well plate and in a 150 + 150 nL drop with a reservoir of 0.2 M potassium formate and 20% w/v PEG-3350.	分辨率 2.90 Å R-free 0.254
6EO6 X-ray structure of the complex between human alpha-thrombin and modified 15-mer DNA aptamer containing 5-(3-(2-(1H-indol-3-yl)acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine residue 提交 2017-10-09	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	K POTASSIUM ION × 1 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；281 K；18% W/V PEG4000, 20% V/V 2-PROPANOL, 0.2 M SODIUM CITRATE	分辨率 1.69 Å R-free 0.168
6EO7 X-ray structure of the complex between human alpha-thrombin and modified 15-mer DNA aptamer containing 5-(3-(acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine residue 提交 2017-10-09	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	K POTASSIUM ION × 1 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；281 K；25% W/V PEG4000, 24% V/V 2-PROPANOL, 0.2 M SODIUM CITRATE	分辨率 2.24 Å R-free 0.208
6EO8 Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor 提交 2017-10-09	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	DMS DIMETHYL SULFOXIDE × 6 2FN N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-D-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；30% PEG 4000, 0.1M HEPES pH7.0, 0.75M NaCl, 0.04% NaN3, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.94 Å R-free 0.248
6EO9 Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor 提交 2017-10-09	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	DMS DIMETHYL SULFOXIDE × 6 2OJ N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；30% PEG 4000, 0.1M HEPES pH7.0, 0.75M NaCl, 0.04% NaN3, VAPOR DIFFUSION, HANGING DROP, temperature 277K, temperature 293K	分辨率 1.84 Å R-free 0.248
6EVV X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of potassium ions. 提交 2017-11-02	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–360（33 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 K POTASSIUM ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Tacsimate 50 % v/v, pH 7.0	分辨率 2.50 Å R-free 0.205
6FJT 4-chloro-benzamidine in complex with thrombin 提交 2018-01-23	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）链 L 333–360（28 aa）	未记录	NA SODIUM ION × 2 DKQ 4-chloranylbenzenecarboximidamide × 1 DMS DIMETHYL SULFOXIDE × 3 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；278 K；20 mM NaH2PO4, pH 7.5 350 mM NaCl 2mM benzamidine at a concentration of 10 mg/mL thrombin	分辨率 1.27 Å R-free 0.151
6GBW Thrombin in complex with MI2100 ((S)-N-(2-(aminomethyl)-5-chlorobenzyl)-1-((benzylsulfonyl)-L-arginyl)pyrrolidine-2-carboxamide) 提交 2018-04-16	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 DMS DIMETHYL SULFOXIDE × 2 EU5 (2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{S})-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；20 mM sodium dihydrogen phosphate ph 7.5 350 mM NaCl 27% PEG 8000	分辨率 1.45 Å R-free 0.165
6GN7 X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of sodium ions. 提交 2018-05-30	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Tacsimate 50 % v/v, pH 7.0	分辨率 2.80 Å R-free 0.203
6GWE Crystal structure of Thrombin bound to P2 macrocycle 提交 2018-06-23	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 364–622（259 aa）链 B 328–363（36 aa）	未记录	ODB (10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 3 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；25% ethylene glycol 100 mM MES pH 6.2 15% w/v PEG 3350	分辨率 2.30 Å R-free 0.244
6GWE Crystal structure of Thrombin bound to P2 macrocycle 提交 2018-06-23	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	ODB (10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；25% ethylene glycol 100 mM MES pH 6.2 15% w/v PEG 3350	分辨率 2.30 Å R-free 0.244
6HSX Thrombin in Complex with a D-Phe-Pro-diaminopyridine derivative 提交 2018-10-02	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	DMS DIMETHYL SULFOXIDE × 2 GOL GLYCEROL × 2 NA SODIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PO4 PHOSPHATE 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, HANGING DROP；pH 7.5；277 K；20 mM Sodium dihydrogen phosphate pH 7.5, 350 mM NaCl, 27% PEG 8000	分辨率 1.56 Å R-free 0.183
6I51 Thrombin in complex with fragment J02 提交 2018-11-12	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 DMS DIMETHYL SULFOXIDE × 2 PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2 F05 1H-isoindol-3-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；278 K；20 mM NaH2PO4, pH 7.5 350 mM NaCl 2 mM benzamidine at a conc. of 10 mg/ml thrombin	分辨率 1.40 Å R-free 0.169
6P9U Crystal structure of human thrombin mutant W215A 提交 2019-06-10	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 333–363（31 aa）链 B 364–622（259 aa）	突变：W215A	ZN ZINC ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10 mM ZnSO4, 100 mM MES and 25% PEG 550 MME	分辨率 3.30 Å R-free 0.308
6P9U Crystal structure of human thrombin mutant W215A 提交 2019-06-10	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 C 333–363（31 aa）链 D 364–622（259 aa）	突变：W215A	ZN ZINC ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10 mM ZnSO4, 100 mM MES and 25% PEG 550 MME	分辨率 3.30 Å R-free 0.308
6P9U Crystal structure of human thrombin mutant W215A 提交 2019-06-10	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 333–363（31 aa）链 F 364–622（259 aa）	突变：W215A	ZN ZINC ION × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10 mM ZnSO4, 100 mM MES and 25% PEG 550 MME	分辨率 3.30 Å R-free 0.308
6P9U Crystal structure of human thrombin mutant W215A 提交 2019-06-10	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 G 333–363（31 aa）链 H 364–622（259 aa）	突变：W215A	ZN ZINC ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10 mM ZnSO4, 100 mM MES and 25% PEG 550 MME	分辨率 3.30 Å R-free 0.308
6PX5 CRYSTAL STRUCTURE OF HUMAN MEIZOTHROMBIN DESF1 MUTANT S195A bound with PPACK 提交 2019-07-24	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 364–622（259 aa）链 X 212–363（152 aa）	突变：S195A	ZN ZINC ION × 2 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10 mM zinc sulfate, 100 mM MES, pH 6.5, 25% PEG 550 MME	分辨率 2.40 Å R-free 0.282
6PXJ Crystal structure of human thrombin mutant I16T 提交 2019-07-26	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；295 K；200 mM Mg formate, 20% PEG 3350	分辨率 1.70 Å R-free 0.203
6PXJ Crystal structure of human thrombin mutant I16T 提交 2019-07-26	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；295 K；200 mM Mg formate, 20% PEG 3350	分辨率 1.70 Å R-free 0.203
6PXQ Crystal structure of human thrombin mutant D194A 提交 2019-07-26	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 331–363（33 aa）链 B 364–622（259 aa）	突变：D194A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；295 K；200 mM di-Na phosphate and 20% PEG 3350	分辨率 2.80 Å R-free 0.292
6ROT Thrombin in complex with MI2105 提交 2019-05-13	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	KDQ (2~{S})-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PO4 PHOSPHATE ION × 1 DMS DIMETHYL SULFOXIDE × 3 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；20mM sodium dihydrogen phosphate ph 7.5 350mM NaCl 27% PEG 8000	分辨率 1.34 Å R-free 0.157
6T3M Thrombin in Complex with a D-Phe-Pro-p-phenol derivative 提交 2019-10-11	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MD8 (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide × 2 PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20 mM NaH2PO4 (pH 7.5), 350 mM NaCl, 27% (w/v) PEG 8000	分辨率 1.38 Å R-free 0.158
6T3Q Thrombin in Complex with a D-Phe-Pro-2-aminopyridine derivative 提交 2019-10-11	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 NA SODIUM ION × 2 M6Q (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20 mM NaH2PO4 (pH 7.5), 350 mM NaCl, 27% (w/v) PEG8000	分辨率 1.33 Å R-free 0.146
6T4A Thrombin in Complex with a D-Phe-Pro-p-aminopyridine derivative 提交 2019-10-13	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 J5K (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20 mM NaH2PO4 (pH 7.5), 350 mM NaCl, 27% (w/v) PEG8000	分辨率 1.31 Å R-free 0.148
6T52 Thrombin in Complex with a D-Phe-Pro-imidazole derivative 提交 2019-10-15	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 PO4 PHOSPHATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 MJH (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]pyrrolidine-2-carboxamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20 mM NaH2PO4, 350 mM NaCl, 27% (w/v) PEG8000	分辨率 1.45 Å R-free 0.161
6T53 Thrombin in Complex with a D-Phe-Pro-p-benzylamine derivative 提交 2019-10-15	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 DMS DIMETHYL SULFOXIDE × 2 K73 (2~{S})-~{N}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide × 1 GOL GLYCEROL × 6 PO4 PHOSPHATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20 mM NaH2PO4, 350 mM NaCl, 27% (w/v) PEG8000	分辨率 1.35 Å R-free 0.151
6T54 Thrombin in Complex with a D-Phe-Pro-2-bromothiophene Derivative 提交 2019-10-15	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 DMS DIMETHYL SULFOXIDE × 2 GOL GLYCEROL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MJK (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20 mM NaH2PO4, 350 mM NaCl, 27% (w/v) PEG8000	分辨率 1.57 Å R-free 0.170
6T55 Thrombin in Complex with Methylbenzylamine 提交 2019-10-15	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 02N 1-(4-methylphenyl)methanamine × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20 mM NaH2PO4, 350 mM NaCl, 27% (w/v) PEG8000	分辨率 1.39 Å R-free 0.172
6T56 Thrombin in Complex with Benzylamine 提交 2019-10-15	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 ABN BENZYLAMINE × 2 GOL GLYCEROL × 1 PO4 PHOSPHATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20 mM NaH2PO4, 350 mM NaCl, 27% (w/v) PEG8000	分辨率 1.31 Å R-free 0.163
6T57 Thrombin in Complex with a D-Phe-Pro-N-amidinopiperidine Derivative 提交 2019-10-15	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	DMS DIMETHYL SULFOXIDE × 1 PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 J3I (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide × 1 TFA trifluoroacetic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20 mM NaH2PO4, 350 mM NaCl, 27% (w/v) PEG8000	分辨率 1.57 Å R-free 0.213
6T7H Crystal structure of Thrombin in complex with macrocycle N14-PR4-A 提交 2019-10-22	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 2 MRQ (14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；18 % w/v PEG 4000 0.1 M Tris pH 9.0 0.3 M Sodium acetate trihydrate 20 % v/v Ethylene glycol	分辨率 2.32 Å R-free 0.239
6T7H Crystal structure of Thrombin in complex with macrocycle N14-PR4-A 提交 2019-10-22	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 1 MRQ (14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；18 % w/v PEG 4000 0.1 M Tris pH 9.0 0.3 M Sodium acetate trihydrate 20 % v/v Ethylene glycol	分辨率 2.32 Å R-free 0.239
6T89 Thrombin in complex with (S)-N-(tert-butyl)-4-(3-(3-carbamimidoylphenyl)-2-((2',4'-dimethoxy-[1,1'-biphenyl])-3-sulfonamido)propanoyl)piperazine-1-carboxamide (MI-498) 提交 2019-10-24	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	MUQ 4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；20 mM sodium dihydrogen phosphate ph 7.5 350 mM NaCl 27 % PEG 8000	分辨率 2.00 Å R-free 0.215
6T8A Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl 2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492) 提交 2019-10-24	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	MUZ [(~{R})-(4-carbamimidoylphenyl)-[[(2~{S})-1-[(2~{R})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 PO4 PHOSPHATE ION × 1 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；20 mM sodium dihydrogen phosphate ph 7.5 350 mM NaCl 27 % PEG 8000	分辨率 1.62 Å R-free 0.185
6TDT Thrombin in Complex with a D-DiPhe-Pro-p-pyridine derivative 提交 2019-11-10	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2 DMS DIMETHYL SULFOXIDE × 1 LXW (2~{S})-1-[(2~{R})-2-azanyl-3,3-diphenyl-propanoyl]-~{N}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20 mM Sodium dihydrogen phosphate, 350 mM NaCl, 27% (w/v) PEG 8000	分辨率 1.53 Å R-free 0.177
6TKG Tsetse thrombin inhibitor in complex with human alpha-thrombin - orthorhombic form at 12keV 提交 2019-11-28	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES pH 7.5, 0.2 M ammonium acetate, 25 % (w/v) PEG 3350	分辨率 1.35 Å R-free 0.195
6TKH Tsetse thrombin inhibitor in complex with human alpha-thrombin - orthorhombic form at 7keV 提交 2019-11-28	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	GOL GLYCEROL × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES pH 7.5, 0.2 M ammonium acetate, 25 % (w/v) PEG 3350	分辨率 1.90 Å R-free 0.200
6TKI Tsetse thrombin inhibitor in complex with human alpha-thrombin - tetragonal form at 12.7keV 提交 2019-11-28	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.05 M sodium cacodylate pH 6.5, 0.01 M magnesium sulfate, 2 M ammonium sulfate	分辨率 1.80 Å R-free 0.214
6TKJ Tsetse thrombin inhibitor in complex with human alpha-thrombin - tetragonal form at 7keV 提交 2019-11-28	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.05 M sodium cacodylate pH 6.5, 0.01 M magnesium sulfate, 2 M ammonium sulfate	分辨率 2.81 Å R-free 0.244
6TKL Non-cleavable tsetse thrombin inhibitor in complex with human alpha-thrombin 提交 2019-11-28	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES pH 7.5, 0.2 M ammonium acetate, 28 % (w/v) PEG 3350	分辨率 1.30 Å R-free 0.176
6V5T Crystal structure of human prethrombin-2 with tryptophans replaced by 5-F-tryptophan 提交 2019-12-04	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 333–622（290 aa）片段：Light and heavy chain, residues 333-622	非标准单体：是（mmCIF未提供具体位点）	GOL GLYCEROL × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1M Hepes pH 7.5, 25% PEG 8000	分辨率 2.10 Å R-free 0.230
6V64 Crystal structure of human thrombin bound to ppack with tryptophans replaced by 5-F-tryptophan 提交 2019-12-04	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 334–363（30 aa）片段：residues 334-363 链 B 364–622（259 aa）片段：residues 364-622	非标准单体：是（mmCIF未提供具体位点）	NA SODIUM ION × 2 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.2 M Na/K tartrate pH 7.5 14% PEG 3350	分辨率 2.29 Å R-free 0.277
6Y02 Thrombin in complex with 13k 提交 2020-02-06	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 PO4 PHOSPHATE ION × 1 DMS DIMETHYL SULFOXIDE × 2 GOL GLYCEROL × 2 O5Z (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20mM sodium dihydrogen phosphate ph 7.5 350mM NaCl 27% PEG 8000	分辨率 1.48 Å R-free 0.164
6Y9H Thrombin in complex with D-Phe-Pro-m-Trifluoromethylbenzylamide derivative (phe2) 提交 2020-03-09	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 DMS DIMETHYL SULFOXIDE × 1 PO4 PHOSPHATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；20mM sodium dihydrogen phosphate ph 7.5 350mM NaCl 27% PEG 8000	分辨率 1.48 Å R-free 0.170
6YB6 Thrombin in complex with D-Phe-Pro-3-chloro-1,3-dihydroxybenzylamide derivative (13c) 提交 2020-03-16	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 DMS DIMETHYL SULFOXIDE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20mM sodium dihydrogen phosphate ph 7.5 350mM NaCl 27% PEG 8000	分辨率 1.33 Å R-free 0.153
6YHG Thrombin in complex with D-Phe-Pro-m-methoxybenzylamide derivative (16a) 提交 2020-03-29	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 1 DPN D-PHENYLALANINE × 1 PRO PROLINE × 1 SZ4 1-(3-methoxyphenyl)methanamine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20mM sodium dihydrogen phosphate ph 7.5 350mM NaCl 27% PEG 8000	分辨率 1.33 Å R-free 0.145
6YHJ Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e) 提交 2020-03-30	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	EDO 1,2-ETHANEDIOL × 1 NA SODIUM ION × 2 PO4 PHOSPHATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 OQZ (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide × 2 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20mM sodium dihydrogen phosphate ph 7.5 350mM NaCl 27% PEG 8000	分辨率 1.44 Å R-free 0.154
6YMP Thrombin in complex with 3-((5-(tert-butyl)isoxazol-3-yl)methyl)oxetan-3-amine (j54) 提交 2020-04-09	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 PO4 PHOSPHATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 DMS DIMETHYL SULFOXIDE × 2 D6Y 3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20mM sodium dihydrogen phosphate ph 7.5 350mM NaCl 27% PEG 8000	分辨率 1.42 Å R-free 0.154
6YN3 Thrombin in complex with 4-hydroxybenzamide (j89) 提交 2020-04-10	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 DMS DIMETHYL SULFOXIDE × 2 HBD 4-HYDROXYBENZAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20mM sodium dihydrogen phosphate pH 7.5 350mM NaCl 27% PEG 8000	分辨率 1.49 Å R-free 0.167
6YQV Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94) 提交 2020-04-18	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 DMS DIMETHYL SULFOXIDE × 3 PO4 PHOSPHATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 8K2 5-chloranylthiophene-2-sulfonamide × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20mM sodium dihydrogen phosphate pH 7.5 350mM NaCl 27% PEG 8000	分辨率 1.45 Å R-free 0.163
6YSJ Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10) 提交 2020-04-22	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 DMS DIMETHYL SULFOXIDE × 2 47A 2-amino-1-(4-bromophenyl)ethanone × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20mM sodium dihydrogen phosphate pH 7.5 350mM NaCl 27% PEG 8000	分辨率 1.45 Å R-free 0.168
6YSX Thrombin in complex with 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide (j80) 提交 2020-04-23	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 DMS DIMETHYL SULFOXIDE × 2 PO4 PHOSPHATE ION × 1 08D Sulfamethoxazole × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20mM sodium dihydrogen phosphate pH 7.5 350mM NaCl 27% PEG 8000	分辨率 1.48 Å R-free 0.162
6Z48 Crystal structure of Thrombin in complex with macrocycle X1vE 提交 2020-05-23	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 1 X1V 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100 mM MOPS/sodium HEPES pH 7.5, 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD	分辨率 2.27 Å R-free 0.242
6Z48 Crystal structure of Thrombin in complex with macrocycle X1vE 提交 2020-05-23	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	NA SODIUM ION × 1 X1V 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100 mM MOPS/sodium HEPES pH 7.5, 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD	分辨率 2.27 Å R-free 0.242
6Z48 Crystal structure of Thrombin in complex with macrocycle X1vE 提交 2020-05-23	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 328–363（36 aa）链 D 364–622（259 aa）	未记录	NA SODIUM ION × 1 X1V 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100 mM MOPS/sodium HEPES pH 7.5, 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD	分辨率 2.27 Å R-free 0.242
6Z48 Crystal structure of Thrombin in complex with macrocycle X1vE 提交 2020-05-23	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 E 328–363（36 aa）链 F 364–622（259 aa）	未记录	NA SODIUM ION × 1 X1V 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100 mM MOPS/sodium HEPES pH 7.5, 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD	分辨率 2.27 Å R-free 0.242
6Z8V X-ray structure of the complex between human alpha thrombin and a thrombin binding aptamer variant (TBA-3L), which contains 1-beta-D-lactopyranosyl residue in the side chain of Thy3 at N3. 提交 2020-06-02	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；200 mM KCl, 35% v/v pentaerythritol propoxylate, 50 mM HEPES, pH 7.5	分辨率 1.58 Å R-free 0.206
6Z8W X-ray structure of the complex between human alpha thrombin and a thrombin binding aptamer variant (TBA-3G), which contains 1-beta-D-glucopyranosyl residue in the side chain of Thy3 at N3. 提交 2020-06-02	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；200 mM KCl, 35% v/v pentaerythritol propoxylate, 50 mM HEPES, pH 7.5	分辨率 1.73 Å R-free 0.207
6Z8X X-ray structure of the complex between human alpha thrombin and a thrombin binding aptamer variant (TBA-3Leu), which contains leucyl amide in the side chain of Thy3 at N3. 提交 2020-06-02	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；18% v/v 2-propanol, 18% w/v PEG 4000, 100 mM tri-sodium citrate, pH 5.6	分辨率 2.53 Å R-free 0.291
6ZGO Thrombin in complex with D-Phe-Pro-2-chlorofuran derivative (13l) 提交 2020-06-19	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 DMS DIMETHYL SULFOXIDE × 3 QKE (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20mM sodium dihydrogen phosphate ph 7.5 350mM NaCl 27% PEG 8000	分辨率 1.79 Å R-free 0.225
6ZUG Crystal Structure of Thrombin in complex with compound10 提交 2020-07-22	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–621（258 aa）链 L 333–361（29 aa）	未记录	QPW 2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；283 K；0.02 M phosphate buffer pH 7.5, 27% PEG 8000, 100 mM NaCl	分辨率 1.80 Å R-free 0.212
6ZUH Crystal Structure of Thrombin in complex with compound17 提交 2020-07-22	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	N6H [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；283 K；0.02 M phosphate buffer pH 7.5, 27% PEG 8000, 100 mM NaCl	分辨率 1.70 Å R-free 0.218
6ZUN Crystal Structure of Thrombin in complex with compound20a 提交 2020-07-23	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	QQ5 [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；283 K；0.02 M phosphate buffer pH 7.5, 27% PEG 8000, 100 mM NaCl	分辨率 1.79 Å R-free 0.262
6ZUU Crystal structure of Thrombin in complex with compound30 提交 2020-07-23	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	QQN [2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；283 K；0.02 M phosphate buffer pH 7.5, 27% PEG 8000, 100 mM NaCl	分辨率 1.94 Å R-free 0.212
6ZUW Crystal Structure of Thrombin in complex with compound40 提交 2020-07-23	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	QQK [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{R})-5-ethyl-2-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；283 K；0.02 M phosphate buffer pH 7.5, 27% PEG 8000, 100 mM NaCl	分辨率 2.00 Å R-free 0.213
6ZUX Crystal Structure of Thrombin in complex with compound42a 提交 2020-07-23	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	QQE [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；283 K；0.02 M phosphate buffer pH 7.5, 27% PEG 8000, 100 mM NaCl	分辨率 1.94 Å R-free 0.206
6ZV7 Crystal Structure of Thrombin in complex with compound42b 提交 2020-07-24	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 QQW [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{R},5~{R})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；283 K；0.02 M phosphate buffer pH 7.5, 27% PEG 8000, 100 mM NaCl	分辨率 1.94 Å R-free 0.190
6ZV8 Crystal Structure of Thrombin in complex with compound51 提交 2020-07-24	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）片段：THE MAJORITY OF THE SEQUENCE 链 L 328–363（36 aa）片段：POTENIALLY THE FIRST EXON	未记录	QQT [2-[[(1~{S})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；283 K；0.02 M phosphate buffer pH 7.5, 27% PEG 8000, 100 mM NaCl	分辨率 1.70 Å R-free 0.247
7AC9 Thrombin in complex with D-arginine (j77) 提交 2020-09-10	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2 DMS DIMETHYL SULFOXIDE × 2 PO4 PHOSPHATE ION × 1 DAR D-ARGININE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20mM sodium dihydrogen phosphate pH 7.5 350mM NaCl 27% PEG 8000	分辨率 1.39 Å R-free 0.163
7KME CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN INHIBITED WITH SEL2711. 提交 1999-02-26	聚集状态不同配体/离子不同实验环境不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 7.3；pH 7.30	分辨率 2.10 Å
7MJ5 complex of human thrombin with XC-43 提交 2021-04-19	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M magnesium acetate, 9 % PEG 8000	分辨率 2.15 Å R-free 0.193
7MJ5 complex of human thrombin with XC-43 提交 2021-04-19	配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 B 328–363（36 aa）链 C 364–622（259 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M magnesium acetate, 9 % PEG 8000	分辨率 2.15 Å R-free 0.193
7MJ5 complex of human thrombin with XC-43 提交 2021-04-19	配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 D 328–363（36 aa）链 E 364–622（259 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M magnesium acetate, 9 % PEG 8000	分辨率 2.15 Å R-free 0.193
7MJ5 complex of human thrombin with XC-43 提交 2021-04-19	配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 F 328–363（36 aa）链 G 364–622（259 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M magnesium acetate, 9 % PEG 8000	分辨率 2.15 Å R-free 0.193
7MJ5 complex of human thrombin with XC-43 提交 2021-04-19	配体/离子不同实验环境不同结构质量不同	Assembly 5 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 I 328–363（36 aa）链 J 364–622（259 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M magnesium acetate, 9 % PEG 8000	分辨率 2.15 Å R-free 0.193
7MJ5 complex of human thrombin with XC-43 提交 2021-04-19	配体/离子不同实验环境不同结构质量不同	Assembly 6 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 K 328–363（36 aa）链 M 364–622（259 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M magnesium acetate, 9 % PEG 8000	分辨率 2.15 Å R-free 0.193
7NTU X-ray structure of the complex between human alpha thrombin and two duplex/quadruplex aptamers: NU172 and HD22_27mer 提交 2021-03-10	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；26% w/v PEG 3350, 0.2 M ammonium acetate and 0.1 M Bis-Tris pH 6.5	分辨率 3.10 Å R-free 0.257
7NTU X-ray structure of the complex between human alpha thrombin and two duplex/quadruplex aptamers: NU172 and HD22_27mer 提交 2021-03-10	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric	链 C 328–363（36 aa）链 D 364–622（259 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；26% w/v PEG 3350, 0.2 M ammonium acetate and 0.1 M Bis-Tris pH 6.5	分辨率 3.10 Å R-free 0.257
7PHX Tsetse thrombin inhibitor in complex with human alpha-thrombin - acid-stable sulfotyrosine analogue 提交 2021-08-18	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES pH 7.5, 0.2 M ammonium acetate, 25% (w/v) PEG 3350	分辨率 1.80 Å R-free 0.221
7SR9 Human alpha-thrombin with 180- and 220- loops replaced with homologous loops from protein C 提交 2021-11-08	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 329–363（35 aa）片段：UNP residues 328-363 链 B 364–619（256 aa）片段：UNP residues 364-622	突变：Y184A I, K 184B L, K186D, P186 deleted, D186A deleted, E186B deleted, G188Q, D 221A G, R221L, D222L, G223H, K224N	SO4 SULFATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Tris, pH 8.5, 0.2 M lithium sulfate, 30% PEG4000	分辨率 2.10 Å R-free 0.227
7TPP Cryo-em structure of human prothrombin:prothrombinase at 4.1 Angstrom resolution 提交 2022-01-25	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 5 PDB 声明：pentameric	链 E 44–622（579 aa）片段：UNP residues 44-622	突变：S525A	未记录非水小分子	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.4；20mM Hepes, 150mM NaCl, 5mM CaCl2 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 4.10 Å
7ZKL X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form alpha 提交 2022-04-13	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 LMR (2S)-2-hydroxybutanedioic acid × 1 JL0 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate × 1 JKR 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate × 1 K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Tacsimate 46% v/v, pH 7.0	分辨率 3.18 Å R-free 0.231
7ZKM X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form beta 提交 2022-04-13	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 JL0 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate × 2 JKR 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate × 2 K POTASSIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；PEG 4000 20% w/v, 2-propanol 20% v/v, trisodium citrate 0.1 M, pH 5.6	分辨率 2.00 Å R-free 0.252
7ZKN X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form gamma 提交 2022-04-13	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 JL0 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate × 2 JKR 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate × 2 K POTASSIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；PEG 3350 25% w/v, ammonium acetate 0.2 M, Bis-Tris 0.1 M, pH 6.5	分辨率 3.03 Å R-free 0.243
7ZKN X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form gamma 提交 2022-04-13	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric	链 C 328–363（36 aa）链 D 364–622（259 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 JL0 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate × 2 JKR 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate × 2 K POTASSIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；PEG 3350 25% w/v, ammonium acetate 0.2 M, Bis-Tris 0.1 M, pH 6.5	分辨率 3.03 Å R-free 0.243
7ZKO X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form delta 提交 2022-04-13	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 JL0 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate × 1 JKR 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate × 1 K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG 3350 30% w/v, 0.2 M sodium malonate, pH 7.0	分辨率 2.50 Å R-free 0.295
8ASE Crystal structure of Thrombin in complex with macrocycle T3 提交 2022-08-19	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NWR (8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；100 mM Bis-Tris, 200 mM ammonium sulfate, 25% w/v PEG 3350 pH 5.5	分辨率 2.55 Å R-free 0.250
8ASE Crystal structure of Thrombin in complex with macrocycle T3 提交 2022-08-19	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	NWR (8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione × 1 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；100 mM Bis-Tris, 200 mM ammonium sulfate, 25% w/v PEG 3350 pH 5.5	分辨率 2.55 Å R-free 0.250
8ASF Crystal structure of Thrombin in complex with macrocycle T1 提交 2022-08-19	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 364–622（259 aa）链 L 328–363（36 aa）	未记录	NWF 5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；100 mM sodium acetate, 50 mM magnesium chloride hexahydrate, 8% w/v PEG 3350, pH 4.5	分辨率 2.58 Å R-free 0.240
8ASF Crystal structure of Thrombin in complex with macrocycle T1 提交 2022-08-19	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	NWF 5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；100 mM sodium acetate, 50 mM magnesium chloride hexahydrate, 8% w/v PEG 3350, pH 4.5	分辨率 2.58 Å R-free 0.240
8BW5 X-ray structure of the complex between human alpha thrombin and the duplex/quadruplex aptamer M08s-1_41mer 提交 2022-12-06	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）片段：THROMBIN HEAVY CHAIN, UNP RESIDUES 364-622 链 L 328–363（36 aa）	未记录	0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；PEG 8000 20% w/v, magnesium acetate 0.2 M, sodium cacodylate 0.1 M, pH 6.5	分辨率 2.80 Å R-free 0.252
8BWW Targeting Toll-like receptor-driven systemic inflammation by engineering an innate structural fold into drugs 提交 2022-12-07	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 605–622（18 aa）	非标准单体：是（mmCIF未提供具体位点）	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 4.5；298 K；离子强度（mmCIF原始值）0；压力 1 NMR样品组成 1.6 mM sHVF18, 50 % v/v TFE, 10 % v/v D2O, 200 uM DSS, 0.02 % v/v sodium azide, trifluoroethanol/water \| trifluoroethanol/water	分辨率未提供
8KME CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN INHIBITED WITH SEL2770. 提交 1999-03-21	构建体不同聚集状态不同配体/离子不同实验环境不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 1 328–363（36 aa）片段：LIGHT CHAIN 链 2 364–622（259 aa）片段：HEAVY CHAIN	未记录	NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 7.3；0.1 M SODIUM PHASPATE BUFFER, PH 7.3 28 % PEG 8000	分辨率 2.10 Å
8RTN Human thrombin in complex with a trivalent inhibitor 提交 2024-01-26	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 1–622（622 aa）链 L 1–622（622 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M lithium citrate tribasic tetrahydrate 20% (w/v) PEG 3350	分辨率 2.51 Å R-free 0.213
8TQS Complex of human thrombin (S195A) bound to a bivalent inhibitor comprised of DNA Aptamer HD22 conjugated to Dabigatran with a linker. 提交 2023-08-08	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 320–360（41 aa）	突变：S195A	MG MAGNESIUM ION × 1 NA SODIUM ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 4CC N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；0.1 M MES monohydrate pH 6, 22% (v/v) polyethylene glycol 400 (Hampton PEGRx1 #08)	分辨率 2.21 Å R-free 0.245
8UF7 Cryo-EM structure of POmAb, a Type-I anti-prothrombin antiphospholipid antibody, bound to kringle-1 of human prothrombin 提交 2023-10-03	构建体不同突变/修饰不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 C 44–622（579 aa）	未记录	未记录非水小分子	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.4 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 3.20 Å
9C50 Replacement of a single residue changes the primary specificity of thrombin 提交 2024-06-05	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 328–363（36 aa）链 B 364–622（259 aa）	未记录	NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；0.1 M succinic acid, 15% PEG3350	分辨率 2.50 Å R-free 0.245
9C50 Replacement of a single residue changes the primary specificity of thrombin 提交 2024-06-05	配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 C 328–363（36 aa）链 D 364–622（259 aa）	未记录	NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；0.1 M succinic acid, 15% PEG3350	分辨率 2.50 Å R-free 0.245
9CLN Cryo-EM model derived from localized reconstruction of human adenovirus 5 (Ad5)-hexon-FII complex at 3.9A resolution 提交 2024-07-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 Z 1–622（622 aa）	非标准单体：是（mmCIF未提供具体位点）	CA CALCIUM ION × 7	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.2 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 4.13 Å
9CLS Cryo-EM model derived from localized reconstruction of human adenovirus 6 (Ad6)-hexon-FII complex 提交 2024-07-12	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 Z 1–622（622 aa）	非标准单体：是（mmCIF未提供具体位点）	CA CALCIUM ION × 7	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.2 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 3.70 Å
9CMO Cryo-EM model derived from localized reconstruction of Ad657-hexon-FII complex at 4.14A resolution 提交 2024-07-15	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 Z 1–622（622 aa）	非标准单体：是（mmCIF未提供具体位点）	CA CALCIUM ION × 7	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.2 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 4.17 Å
9CTH Preliminary map of the Prothrombin-prothrombinase complex on nano discs 提交 2024-07-25	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 5 PDB 声明：pentameric	链 D 44–622（579 aa）片段：UNP residues 44-622	突变：S525A	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.4；20 mM HEPES, 150 mM NaCl, and 5 mM CaCl2 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 6.47 Å
9H5N Crystal structure of Thrombin in complex with a Chlorothiophene-based inhibitor, CP3, discovered by a novel rapid nanoscale library screening. 提交 2024-10-22	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 315–363（49 aa）链 B 364–622（259 aa）	未记录	A1ISR ~{N}-[(3~{S})-4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropylamino]-4-oxidanylidene-3-(2-phenylethanoylamino)butyl]-5-chloranyl-thiophene-2-carboxamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Sodium-HEPES, 100 mM MOPS pH 7.5, 100 mM amino acids (20 mM D-L glutamic acid monohydrate, 20mM D-L alanine, 20 mM glycine, 20mM D-L lysine monohydrochloride, 20mM D-L serine) 12,5% v/v MPD; 12,5% w/v PEG1000, 12,5% w/v PEG3350	分辨率 3.10 Å R-free 0.284
9H5N Crystal structure of Thrombin in complex with a Chlorothiophene-based inhibitor, CP3, discovered by a novel rapid nanoscale library screening. 提交 2024-10-22	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 315–363（49 aa）链 D 364–622（259 aa）	未记录	A1ISR ~{N}-[(3~{S})-4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropylamino]-4-oxidanylidene-3-(2-phenylethanoylamino)butyl]-5-chloranyl-thiophene-2-carboxamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Sodium-HEPES, 100 mM MOPS pH 7.5, 100 mM amino acids (20 mM D-L glutamic acid monohydrate, 20mM D-L alanine, 20 mM glycine, 20mM D-L lysine monohydrochloride, 20mM D-L serine) 12,5% v/v MPD; 12,5% w/v PEG1000, 12,5% w/v PEG3350	分辨率 3.10 Å R-free 0.284
9H79 Crystal structure of Thrombin in complex with a Chlorothiophene-based inhibitor, CP2, discovered by a novel rapid nanoscale library screening. 提交 2024-10-27	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 315–363（49 aa）链 B 364–622（259 aa）	未记录	A1ITQ ~{N}-[(3~{S})-4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropylamino]-3-[2-(3-chlorophenyl)ethanoylamino]-4-oxidanylidene-butyl]-5-chloranyl-thiophene-2-carboxamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris, 200 mM Lithium chloride pH 8.0 and 20 % w/v PEG 6000	分辨率 3.00 Å R-free 0.266
9H79 Crystal structure of Thrombin in complex with a Chlorothiophene-based inhibitor, CP2, discovered by a novel rapid nanoscale library screening. 提交 2024-10-27	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 315–363（49 aa）链 D 364–622（259 aa）	未记录	A1ITQ ~{N}-[(3~{S})-4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropylamino]-3-[2-(3-chlorophenyl)ethanoylamino]-4-oxidanylidene-butyl]-5-chloranyl-thiophene-2-carboxamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris, 200 mM Lithium chloride pH 8.0 and 20 % w/v PEG 6000	分辨率 3.00 Å R-free 0.266
9H79 Crystal structure of Thrombin in complex with a Chlorothiophene-based inhibitor, CP2, discovered by a novel rapid nanoscale library screening. 提交 2024-10-27	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 E 315–363（49 aa）链 F 364–622（259 aa）	未记录	A1ITQ ~{N}-[(3~{S})-4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropylamino]-3-[2-(3-chlorophenyl)ethanoylamino]-4-oxidanylidene-butyl]-5-chloranyl-thiophene-2-carboxamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris, 200 mM Lithium chloride pH 8.0 and 20 % w/v PEG 6000	分辨率 3.00 Å R-free 0.266
9H79 Crystal structure of Thrombin in complex with a Chlorothiophene-based inhibitor, CP2, discovered by a novel rapid nanoscale library screening. 提交 2024-10-27	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 G 315–363（49 aa）链 H 364–622（259 aa）	未记录	A1ITQ ~{N}-[(3~{S})-4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropylamino]-3-[2-(3-chlorophenyl)ethanoylamino]-4-oxidanylidene-butyl]-5-chloranyl-thiophene-2-carboxamide × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris, 200 mM Lithium chloride pH 8.0 and 20 % w/v PEG 6000	分辨率 3.00 Å R-free 0.266
9R8Q Structure of thrombin bound to BAY 3389934 提交 2025-05-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 H 364–622（259 aa）链 L 333–361（29 aa）片段：RESIDUES 333-361	未记录	A1JDJ 2-(1-methylimidazol-2-yl)ethyl (2~{S})-3-[(5-chloranylthiophen-2-yl)carbonylamino]-2-[[2-ethyl-3-[(3~{S})-3-oxidanyl-2-oxidanylidene-pyrrolidin-1-yl]phenyl]sulfonylamino]propanoate × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 3 DMS DIMETHYL SULFOXIDE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.02M phosphate buffer at pH 7.5, 27% PEG 8000 and 100mM sodium chloride. Thrombin seeds were added to the final drop	分辨率 1.80 Å R-free 0.200
9YQ8 Cryo-EM complex of meizothrombinDESF1, factor Xa, and factor Va 提交 2025-10-15	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 5 PDB 声明：pentameric	链 H 364–620（257 aa）链 L 214–361（148 aa）片段：kringle 2/A-chain	突变：S525A	未记录非水小分子	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.5 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 3.84 Å

共 475 个其他 PDB 条目、564 个 assembly。打开独立比较页并筛选聚集状态

查看构建体与数据证据

UniProt名称	THRB_HUMAN
Isoform	—
PDB实体	1, 2
链与序列区间	作者链 A； PDB构建体 1–36； UniProt 328–363 作者链 B； PDB构建体 1–259； UniProt 364–622

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

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

下载 Download SAXS (.dat) P(r) (.pr.out) CIF

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	1bb0
沉积日期 deposition_date	1998-04-28
结构标题 title	THROMBIN INHIBITORS WITH RIGID TRIPEPTIDYL ALDEHYDES
关键词 keywords	HYDROLASE-HYDROLASE INHIBITOR complex; HYDROLASE/HYDROLASE INHIBITOR
实验方法 method	X-RAY DIFFRACTION

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

回转半径 Rg (Guinier) rg_guinier	18.56 Å
回转半径 Rg (电子) rg_electron	17.61 Å
零角强度 I(0) i0	33690000.00
分子量 molecular_weight	30127.0 kDa
排除体积 excluded_volume	29209 Å³
包络体积 envelope_volume	44541 Å³
水化壳体积 shell_volume	20394 Å³
包络直径 envelope_diameter	58.7 Å
壳层 Rg shell_rg	24.60 Å
包络 Rg envelope_rg	17.87 Å
形状 Rg shape_rg	17.60 Å
总 Rg total_rg	18.35 Å
总原子数 total_atoms	2278
残基数 n_residues	282
球谐函数阶数 n_harmonics	20
q 范围 q_range	— – 0.5000 Å⁻¹
数据点数 n_points	101
壳层类型 shell_type	directional
溶剂电子密度 solvent_density	0.3340 e/Å³
壳层衬度 contrast_shell	0.0300 e/Å³
CRYSOL 版本 crysol_version	4.1.3

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

最大尺寸 Dmax dmax	58.2 Å
Rg (实空间) rg_real	18.41 Å
Rg 误差 (实空间) rg_real_error	0.23 Å
I(0) (实空间) i0_real	3.3690e+07
I(0) 误差 (实空间) i0_real_error	3.4840e+05
Rg (倒空间) rg_reciprocal	18.43 Å
I(0) (倒空间) i0_reciprocal	33690000.0000
解质量估计 total_estimate	0.6737
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	23.9 Å
偏度 Skewness skewness	0.093
峰度 Kurtosis kurtosis	-0.470
角度范围 angular_range	— – 0.4300 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	13130000.0000
实空间数据点数 n_real_points	74
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.867; Stabil: 0.999; Sysdev: 0.391; Positv: 1.000; Valcen: 0.983; Smooth: 0.000

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

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6. 实体与聚合物信息 Entities & Polymers (6)

实体 1 Entity 1 polymer

描述 description	THROMBIN
分子量 formula_weight	4096.5 kDa
EC 编号 ec_number	3.4.21.5
来源方法 src_method	nat
拷贝数 entity_count	1

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	2412

TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR

实体 2 Entity 2 polymer

描述 description	THROMBIN
分子量 formula_weight	29780.2 kDa
EC 编号 ec_number	3.4.21.5
来源方法 src_method	nat
拷贝数 entity_count	1

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	B

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE

实体 3 Entity 3 polymer

描述 description	HIRUGEN
分子量 formula_weight	1561.6 kDa
来源方法 src_method	man
拷贝数 entity_count	1

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	C

XDGDFEEIPEEYL

来源 Source

来源生物 organism	Hirudo medicinalis
通用名 common_name	medicinal leech
NCBI 分类编号 ncbi_taxonomy_id	6421

实体 4 Entity 4 non-polymer

描述 description	SODIUM ION
分子量 formula_weight	23.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

实体 5 Entity 5 non-polymer

描述 description	2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide
分子量 formula_weight	506.6 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 6 Entity 6 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	134

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7. 折叠分类 (SCOP + CATH) 3 domains

SCOP 2.08 (1 domains)

结构域编号 domain_id	d1bb0.1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.47 — Trypsin-like serine proteases
超家族 Superfamily superfamily	b.47.1 — Trypsin-like serine proteases
家族 Family family	b.47.1.2 — Eukaryotic proteases

CATH v4.4 (2 domains)

结构域编号 domain_id	1bb0B01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	40 — Beta Barrel
拓扑 Topology topology	10 — Thrombin, subunit H
同源超家族 H-superfamily homologous superfamily	10 — Trypsin-like serine proteases

结构域编号 domain_id	1bb0B02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	40 — Beta Barrel
拓扑 Topology topology	10 — Thrombin, subunit H
同源超家族 H-superfamily homologous superfamily	10 — Trypsin-like serine proteases

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8. 引用文献 (1)

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晶胞边长 a length_a	71.140 Å
晶胞边长 b length_b	72.260 Å
晶胞边长 c length_c	72.730 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	100.70 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	4

空间群 space_group	C 1 2 1
空间群编号 int_tables_number	5
晶系 crystal_system	—

分辨率 resolution	2.100 Å
最低分辨率 resolution_low	7.000 Å
R 因子 r_factor	—
R_work r_work	0.1570
R_free r_free	—

fit	/app/data/saxs_computation/bb/1bb0/1bb0.fit
pddf	/app/data/pr_computation/bb/1bb0/1bb0.pr.out
profile	/app/data/saxs_computation/bb/1bb0/1bb0.dat

THROMBIN INHIBITORS WITH RIGID TRIPEPTIDYL ALDEHYDES

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

THROMBIN

当前结构中的状态

数据库中的同蛋白其他状态

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

2. 结构基本信息 2. Structure Basics

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

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

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

晶胞参数 Unit Cell

对称性 Symmetry

精修参数 Refinement

衍射实验 Diffraction

6. 实体与聚合物信息 Entities & Polymers (6)

实体 1 Entity 1 polymer

聚合物 Polymer

实体 2 Entity 2 polymer

聚合物 Polymer

实体 3 Entity 3 polymer

聚合物 Polymer

来源 Source

实体 4 Entity 4 non-polymer

实体 5 Entity 5 non-polymer

实体 6 Entity 6 water

7. 折叠分类 (SCOP + CATH) 3 domains

SCOP 2.08 (1 domains)

CATH v4.4 (2 domains)

8. 引用文献 (1)

9. 文件与曲线 (10)

Files (7)

Curves (3)