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9p0x

Nanodisc-embedded human TF/FVIIa/XK1 in complex with 10H10 Fab (nanodisc-subtracted)

Method: ELECTRON MICROSCOPY Dmax: 126.3 Å Quality: EXCELLENT
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Factor VII light chain

Homo sapiens

UniProt P08709

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Heteromer Protein × 7 PDB declaration: heptameric（7） Consistent with protein copy count Chain S； UniProt 213–466 Chain V； UniProt 61–202 Non-standard monomer：Yes (specific site not provided by mmCIF) Factor X light chain × 1 （P00742） Tissue factor,Maltose/maltodextrin-binding periplasmic protein × 1 （P13726,P0AEY0） Tissue factor pathway inhibitor × 1 （P10646） Human 10H10 antibody Fab heavy chain × 1 Human 10H10 antibody Fab light chain × 1 MG MAGNESIUM ION × 4 CA CALCIUM ION × 12 BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.4 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.70 Å

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 9P0X Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1BF9 N-TERMINAL EGF-LIKE DOMAIN FROM HUMAN FACTOR VII, NMR, 23 STRUCTURES Deposited 1998-05-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 105–145（41 aa） Fragment：N-TERMINAL EGF-LIKE DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.6；298 K；Ionic strength (raw mmCIF value) NO SALT ADDED；Pressure 1
NMR sample composition H2O AND D2O
Resolution not provided
1CVW Crystal structure of active site-inhibited human coagulation factor VIIA (DES-GLA) Deposited 1999-08-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa）
Chain L 150–204（55 aa）
Not recorded 0GE N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-alpha-glutamyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；SOLUTION 30, HAMPTON SCREEN II, SEE REFERENCE 1, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.28 Å R-free 0.239
1DAN Complex of active site inhibited human blood coagulation factor VIIA with human recombinant soluble tissue factor Deposited 1997-03-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 213–466（254 aa）
Chain L 61–212（152 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 0Z6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide × 1 CAC CACODYLATE ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.218
1DVA Crystal Structure of the Complex Between the Peptide Exosite Inhibitor E-76 and Coagulation Factor VIIA Deposited 2000-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa）
Chain L 102–202（101 aa）
Not recorded 0Z6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide × 1 CA CALCIUM ION × 2 CAC CACODYLATE ION × 1 FUC alpha-L-fucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；292 K；PEG4000, t-butanol, sodium cacodylate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K
Resolution 3.00 Å R-free 0.295
1DVA Crystal Structure of the Complex Between the Peptide Exosite Inhibitor E-76 and Coagulation Factor VIIA Deposited 2000-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain I 213–466（254 aa）
Chain M 102–202（101 aa）
Not recorded 0Z6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide × 1 CA CALCIUM ION × 2 CAC CACODYLATE ION × 1 GLC alpha-D-glucopyranose × 1 FUL beta-L-fucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；292 K；PEG4000, t-butanol, sodium cacodylate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K
Resolution 3.00 Å R-free 0.295
1F7E THE FIRST EGF-LIKE DOMAIN FROM HUMAN BLOOD COAGULATION FVII, NMR, 20 STRUCTURES Deposited 1999-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 83–125（43 aa） Fragment：FIRST EGF-LIKE DOMAIN (RESIDUES 45-87)
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.5；298 K；Ionic strength (raw mmCIF value) 400mM；Pressure 1
Resolution not provided
1F7M THE FIRST EGF-LIKE DOMAIN FROM HUMAN BLOOD COAGULATION FVII, NMR, MINIMIZED AVERAGE STRUCTURE Deposited 1999-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 83–125（43 aa） Fragment：FIRST EGF-LIKE DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.5；298 K；Ionic strength (raw mmCIF value) 400mM；Pressure 1
Resolution not provided
1FAK HUMAN TISSUE FACTOR COMPLEXED WITH COAGULATION FACTOR VIIA INHIBITED WITH A BPTI-MUTANT Deposited 1998-12-28 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 213–466（254 aa） Fragment：HEAVY CHAIN
Chain L 61–212（152 aa） Fragment：LIGHT CHAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；pH 5.6
Resolution 2.10 Å
1FF7 THE FIRST EGF-LIKE DOMAIN FROM HUMAN BLOOD COAGULATION FVII (FUCOSYLATED AT SER-60), NMR, 20 STRUCTURES Deposited 1999-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 83–125（43 aa） Fragment：FIRST EGF-LIKE DOMAIN (FUCOSYLATED AT SER-60)
Not recorded FUC alpha-L-fucopyranose × 1 SOLUTION NMR
NMR measurement conditions pH 5.5；298 K；Ionic strength (raw mmCIF value) 400mM；Pressure 1
Resolution not provided
1FFM THE FIRST EGF-LIKE DOMAIN FROM HUMAN BLOOD COAGULATION FVII (FUCOSYLATED AT SER-60), NMR, MINIMIZED AVERAGE STRUCTURE Deposited 1999-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 83–125（43 aa） Fragment：FIRST EGF-LIKE DOMAIN (RESIDUES 45-87; FUCOSYLATED AT SER-60)
Not recorded FUC alpha-L-fucopyranose × 1 SOLUTION NMR
NMR measurement conditions pH 5.5；298 K；Ionic strength (raw mmCIF value) 400mM；Pressure 1
Resolution not provided
1J9C Crystal Structure of tissue factor-factor VIIa complex Deposited 2001-05-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa）
Chain L 108–202（95 aa）
Not recorded GLC alpha-D-glucopyranose × 1 FUL beta-L-fucopyranose × 1 0Z6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；2% PEG 400, 2% 2-propanol, 2% PEG 4000, 12.5mM Calcium chloride, 2.0M ammonium sulfate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.90 Å R-free 0.299
1JBU Coagulation Factor VII Zymogen (EGF2/Protease) in Complex with Inhibitory Exosite Peptide A-183 Deposited 2001-06-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：Heavy chain
Chain L 150–212（63 aa） Fragment：Light chain
Not recorded SO4 SULFATE ION × 1 BEN BENZAMIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；HEPES, ammonium sulfate, glycerol, PEG 400, benzamidine, calcium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.227
1JBU Coagulation Factor VII Zymogen (EGF2/Protease) in Complex with Inhibitory Exosite Peptide A-183 Deposited 2001-06-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：Heavy chain
Chain L 150–212（63 aa） Fragment：Light chain
Not recorded SO4 SULFATE ION × 1 BEN BENZAMIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；HEPES, ammonium sulfate, glycerol, PEG 400, benzamidine, calcium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.227
1KLI Cofactor-and substrate-assisted activation of factor VIIa Deposited 2001-12-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：heavy chain
Chain L 144–212（69 aa） Fragment：light chain
Not recorded SO4 SULFATE ION × 4 CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；275 K；Ammonium sulphate, glycerol, PEG 400, BICINE, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 275K
Resolution 1.69 Å R-free 0.225
1KLI Cofactor-and substrate-assisted activation of factor VIIa Deposited 2001-12-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain H 213–466（254 aa） Fragment：heavy chain
Chain L 144–212（69 aa） Fragment：light chain
Not recorded SO4 SULFATE ION × 8 CA CALCIUM ION × 2 BEN BENZAMIDINE × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；275 K；Ammonium sulphate, glycerol, PEG 400, BICINE, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 275K
Resolution 1.69 Å R-free 0.225
1KLJ Crystal structure of uninhibited factor VIIa Deposited 2001-12-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：heavy chain
Chain L 144–212（69 aa） Fragment：light chain
Not recorded CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；275 K；Ammonium sulphate, glycerol, PEG 400, BICINE, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 275K
Resolution 2.44 Å R-free 0.286
1O5D Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) Deposited 2003-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：heavy chain (catalytic domain)
Chain L 61–212（152 aa） Fragment：light chain
Not recorded CR9 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.2；290 K；0.1 M citrate, 16-18% PEG 5K MME, pH 7.2, vapor diffusion at 290 K
Resolution 2.05 Å R-free 0.262
1QFK STRUCTURE OF HUMAN FACTOR VIIA AND ITS IMPLICATIONS FOR THE TRIGGERING OF BLOOD COAGULATION Deposited 1999-04-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：UNP residues 213-466
Chain L 109–212（104 aa） Fragment：UNP residues 109-212
Not recorded GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 0Z6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；50MM NACL, 10MM CACL2, 3.5-3.7M SODIUM FORMATE IN 100MM TRIS PH 8.5, pH 8.50
Resolution 2.80 Å R-free 0.267
1W0Y tf7a_3771 complex Deposited 2004-05-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：FACTOR VII HEAVY CHAIN, RESIDUES 213-466
Chain L 61–202（142 aa） Fragment：FACTOR VII HEAVY CHAIN, RESIDUES 61-202
Non-standard monomer：Yes (specific site not provided by mmCIF) 771 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE × 1 CA CALCIUM ION × 9 CAC CACODYLATE ION × 1 FUC alpha-L-fucopyranose × 1 BGC beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 2.50 Å R-free 0.258
1W2K tf7a_4380 complex Deposited 2004-07-06 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：FACTOR VII HEAVY CHAIN, RESIDUES 213-466
Chain L 61–202（142 aa） Fragment：FACTOR VII HEAVY CHAIN, RESIDUES 61-202
Non-standard monomer：Yes (specific site not provided by mmCIF) 380 (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE × 1 CA CALCIUM ION × 9 CAC CACODYLATE ION × 1 FUC alpha-L-fucopyranose × 1 BGC beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 3.00 Å R-free 0.257
1W7X Factor7 - 413 complex Deposited 2004-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：FACTOR VII HEAVY CHAIN, RESIDUES 213-466
Chain L 150–204（55 aa） Fragment：FACTOR VII LIGHT CHAIN, RESIDUES 151-204
Not recorded GOL GLYCEROL × 2 CA CALCIUM ION × 1 413 (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-ACETYLAMINO]-PHENYL-ACETIC ACID × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；35%AS, 2%PEG400, 100MM BICINE PH8.5, 15% GLYCEROL, pH 8.50
Resolution 1.80 Å R-free 0.195
1W8B Factor7 - 413 complex Deposited 2004-09-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：FACTOR VII HEAVY CHAIN, RESIDUES 213-466
Chain L 148–204（57 aa） Fragment：FACTOR VII LIGHT CHAIN, RESIDUES 148-204
Not recorded CA CALCIUM ION × 1 413 (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-ACETYLAMINO]-PHENYL-ACETIC ACID × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.00 Å R-free 0.272
1WQV Human Factor Viia-Tissue Factor Complexed with propylsulfonamide-D-Thr-Met-p-aminobenzamidine Deposited 2004-10-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：Factor VII heavy chain
Chain L 61–212（152 aa） Fragment：Factor VII light chain
Non-standard monomer：Yes (specific site not provided by mmCIF) BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 PSM N-[DIHYDROXY(PROPYL)-LAMBDA~4~-SULFANYL]THREONYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}METHIONINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 5000, sodium chloride, cacodylate, calcium chloride, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.50 Å R-free 0.272
1WSS Human Factor Viia-Tissue Factor in Complex with peptide-mimetic inhibitor that has two charged groups in P2 and P4 Deposited 2004-11-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：Factor VII heavy chain
Chain L 61–212（152 aa） Fragment：Factor VII light chain
Non-standard monomer：Yes (specific site not provided by mmCIF) BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 3CB N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-5-IMINOORNITHINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 5000, sodium chloride, cacodylate, calcium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.60 Å R-free 0.282
1WTG Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-biphenylalanine-Gln-p-aminobenzamidine Deposited 2004-11-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：Factor VII heavy chain
Chain L 61–212（152 aa） Fragment：Factor VII light chain
Non-standard monomer：Yes (specific site not provided by mmCIF) BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 3BP 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 5000, sodium chloride, cacodylate, calcium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.20 Å R-free 0.251
1WUN Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-Trp-Gln-p-aminobenzamidine Deposited 2004-12-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：Factor VII heavy chain
Chain L 61–212（152 aa） Fragment：Factor VII light chain
Non-standard monomer：Yes (specific site not provided by mmCIF) BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 P5B N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 5000, sodium chloride, cacodylate, calcium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.40 Å R-free 0.264
1WV7 Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-5-propoxy-Trp-Gln-p-aminobenzamidine Deposited 2004-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：Factor VII heavy chain
Chain L 61–212（152 aa） Fragment：Factor VII light chain
Non-standard monomer：Yes (specific site not provided by mmCIF) BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 5PI N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 5000, sodium chloride, cacodylate, calcium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.70 Å R-free 0.273
1YGC Short Factor VIIa with a small molecule inhibitor Deposited 2005-01-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：heavy chain (residues 213-466)
Chain L 150–212（63 aa） Fragment：light chain, del 1-149 from full length (residues 150-212)
Not recorded CA CALCIUM ION × 2 SO4 SULFATE ION × 7 905 (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；ammonium sulfate, glycerol, PEG 400, Calcium ion, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.00 Å R-free 0.205
1YGC Short Factor VIIa with a small molecule inhibitor Deposited 2005-01-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain H 213–466（254 aa） Fragment：heavy chain (residues 213-466)
Chain L 150–212（63 aa） Fragment：light chain, del 1-149 from full length (residues 150-212)
Not recorded CA CALCIUM ION × 4 SO4 SULFATE ION × 14 905 (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；ammonium sulfate, glycerol, PEG 400, Calcium ion, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.00 Å R-free 0.205
1Z6J Crystal Structure of a ternary complex of Factor VIIa/Tissue Factor/Pyrazinone Inhibitor Deposited 2005-03-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：Heavy Chain
Chain L 61–202（142 aa） Fragment：Light Chain
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 2 MG MAGNESIUM ION × 1 PY3 5-[AMINO(IMINO)METHYL]-2-[({[6-[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-1(2H)-YL]ACETYL}AMINO)METHYL]-N-PYRIDIN-4-YLBENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；298 K；50 mM citrate, 16-24% PEG 4K, 150 mM MgCl2, pH 7.5, VAPOR DIFFUSION, temperature 298K
Resolution 2.00 Å R-free 0.258
2A2Q Complex of Active-site Inhibited Human Coagulation Factor VIIa with Human Soluble Tissue Factor in the Presence of Ca2+, Mg2+, Na+, and Zn2+ Deposited 2005-06-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：Heavy chain, residues 213-466
Chain L 61–212（152 aa） Fragment：Light chain, residues 61-212
Non-standard monomer：Yes (specific site not provided by mmCIF) GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 MG MAGNESIUM ION × 3 CA CALCIUM ION × 6 NA SODIUM ION × 1 ZN ZINC ION × 2 CL CHLORIDE ION × 3 PBZ P-AMINO BENZAMIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；298 K；PEG 4000, magnesium chloride, sodium chloride, calcium chloride, zinc chloride, Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 7.00
Resolution 1.80 Å R-free 0.259
2AEI Crystal structure of a ternary complex of factor VIIa/tissue factor and 2-[[6-[3-(aminoiminomethyl)phenoxy]-3,5-difluro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl]oxy]-benzoic acid Deposited 2005-07-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：HEAVY CHAIN
Chain L 61–212（152 aa） Fragment：LIGHT CHAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 8 CAC CACODYLATE ION × 1 03R 2-({6-{3-[AMINO(IMINO)METHYL]PHENOXY}-3,5-DIFLUORO-4-[(1-METHYL-3-PHENYLPROPYL)AMINO]-2-PYRIDINYL}OXY)BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 8000,CACODYLATE, GLYCEROL, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.52 Å R-free 0.297
2AER Crystal Structure of Benzamidine-Factor VIIa/Soluble Tissue Factor complex. Deposited 2005-07-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：Factor VII heavy chain
Chain L 61–202（142 aa） Fragment：Factor VII light chain
Non-standard monomer：Yes (specific site not provided by mmCIF) GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 MG MAGNESIUM ION × 3 CA CALCIUM ION × 6 NA SODIUM ION × 1 ZN ZINC ION × 2 CL CHLORIDE ION × 3 BEN BENZAMIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；Tris, Sodium Chloride, Calcium Chloride, PEG 4000, ADA, Magnesium Chloride, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.87 Å R-free 0.256
2B7D Factor VIIa Inhibitors: Chemical Optimization, Preclinical Pharmacokinetics, Pharmacodynamics, and Efficacy in a Baboon Thrombosis Model Deposited 2005-10-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：heavy chain
Chain L 61–212（152 aa） Fragment：light chain
Not recorded C1B (2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；290 K；0.1 M citrate, 16-18 % PEG 5K MME, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 290.0K
Resolution 2.24 Å R-free 0.289
2B8O Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor VIIa/Soluble Tissue Factor Complex Deposited 2005-10-08 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa）
Chain L 61–202（142 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 6 MG MAGNESIUM ION × 2 0GJ L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide × 1 NA SODIUM ION × 1 ZN ZINC ION × 2 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；Tris, sodium chloride, calcium chloride, PEG 4000, ADA, magnesium chloride, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.80 Å R-free 0.285
2BZ6 Orally available Factor7a inhibitor Deposited 2005-08-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：FACTOR VII HEAVY CHAIN, RESIDUES 213-466
Chain L 150–202（53 aa） Fragment：FACTOR VII LIGHT CHAIN, RESIDUES 150-202
Not recorded 346 (R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-[5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO-FURAN-3-YLOXY]-PHENYL]-ACETIC ACID × 1 SO4 SULFATE ION × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；35%AS, 2%PEG400, 100MM BICINE PH8.5, 15% GLYCEROL, pH 8.50
Resolution 1.60 Å R-free 0.193
2C4F crystal structure of factor VII.stf complexed with pd0297121 Deposited 2005-10-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 213–466（254 aa） Fragment：FACTOR VII HEAVY CHAIN, RESIDUES 213-466
Chain L 61–202（142 aa） Fragment：FACTOR VII LIGHT CHAIN, RESIDUES 61-202
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 5 GIL 2-{[6-{3-[AMINO(IMINO)METHYL]PHENOXY}-4-(DIISOPROPYLAMINO)-3,5-DIFLUOROPYRIDIN-2-YL]OXY}-5-[(ISOBUTYLAMINO)CARBONYL]BEN ZOIC ACID × 1 GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.72 Å
2EC9 Crystal structure analysis of human Factor VIIa , Souluble tissue factor complexed with BCX-3607 Deposited 2007-02-13 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 213–466（254 aa） Fragment：residues 16-257
Chain L 61–202（142 aa） Fragment：residues 1-142
Non-standard monomer：Yes (specific site not provided by mmCIF) ASO 1,5-anhydro-D-glucitol × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 24X 2'-((5-CARBAMIMIDOYLPYRIDIN-2-YLAMINO)METHYL)-4-(ISOBUTYLCARBAMOYL)-4'-VINYLBIPHENYL-2-CARBOXYLIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；14% (w/v)PEG 4K, 0.1M MgCl2, 0.1M ADA buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.282
2F9B Discovery of Novel Heterocyclic Factor VIIa Inhibitors Deposited 2005-12-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：heavy chain, residues 213-466
Chain L 61–212（152 aa） Fragment：light chain, residues 61-212
Not recorded N1H {5-(5-AMINO-1H-PYRROLO[3,2-B]PYRIDIN-2-YL)-6-HYDROXY-3'-NITRO-BIPHENYL-3-YL]-ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；290 K；0.1 M CITRATE, 16-18% PEG5000 MME, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.54 Å R-free 0.286
2FIR Crystal structure of DFPR-VIIa/sTF Deposited 2005-12-30 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa）
Chain L 61–202（142 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 MG MAGNESIUM ION × 3 CA CALCIUM ION × 6 0G7 D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 ZN ZINC ION × 2 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；20% PEG 4000, 100 mM magnesium chloride, 200 mM sodium chloride, 10 mM calcium chloride, 20 uM zinc chloride , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.00 Å R-free 0.281
2FLB Discovery of a Novel Hydroxy Pyrazole Based Factor IXa Inhibitor Deposited 2006-01-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：heavy chain, residues 213-466
Chain L 61–212（152 aa） Fragment：light chain, residues 61-212
Not recorded 6NH 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；290 K；0.1 M CITRATE, 16-18% PEG5000 MME, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 290.0K
Resolution 1.95 Å R-free 0.280
2FLR Novel 5-Azaindole Factor VIIa Inhibitors Deposited 2006-01-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：heavy chain, residues 213-466
Chain L 61–212（152 aa） Fragment：light chain, residues 61-212
Not recorded 7NH [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；290 K；0.1 M CITRATE, 16-18% PEG5000 MME, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.35 Å R-free 0.259
2PUQ Crystal structure of active site inhibited coagulation factor VIIA in complex with soluble tissue factor Deposited 2007-05-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 213–466（254 aa） Fragment：HEAVY CHAIN
Chain L 109–202（94 aa） Fragment：LIGHT CHAIN
Not recorded BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；0.1 M sodium citrate, pH 5.6, 16.0 % (w/v) PEG 4000, 12 % (v/v) 1-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.05 Å R-free 0.273
2ZP0 Human factor viia-tissue factor complexed with benzylsulfonamide-D-ile-gln-P-aminobenzamidine Deposited 2008-06-20 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa）
Chain L 61–212（152 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 PI0 (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2R,3R)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；8 % PEG 5000, 0.1M sodium chloride, 0.005M calcium chloride, 0.1M cacodylate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.70 Å R-free 0.306
2ZWL Human factor viia-tissue factor complexed with highly selective peptide inhibitor Deposited 2008-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：UNP residues 213-466
Chain L 61–212（152 aa） Fragment：UNP residues 61-212
Non-standard monomer：Yes (specific site not provided by mmCIF) BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 567 2-[[(2R)-1-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]sulfamoyl]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；8% PEG 5000, 0.1M sodium chloride, 0.005M calcium chloride, 0.1M cacodylate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.20 Å R-free 0.267
2ZZU Human Factor VIIA-Tissue Factor Complexed with ethylsulfonamide-D-5-(3-carboxybenzyloxy)-Trp-Gln-p-aminobenzamidine Deposited 2009-02-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：UNP RESIDUES 213-466
Chain L 61–212（152 aa） Fragment：UNP RESIDUES 61-212
Non-standard monomer：Yes (specific site not provided by mmCIF) BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 359 3-[[3-[(2R)-3-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1H-indol-5-yl]oxymethyl]benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；8% PEG5000, 0.1M sodium chloride, 0.005M calcium chloride, 0.1M cacodylate, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
Resolution 2.50 Å R-free 0.273
3ELA Crystal structure of active site inhibited coagulation factor VIIA mutant in complex with soluble tissue factor Deposited 2008-09-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：UNP residues 213-466
Chain L 61–212（152 aa） Fragment：UNP residues 61-212
Mutation：V158D,E296V,M298Q GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 1 0Z6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；100mM NaCitrate, 16%(w/v) PEG4000, 12%(v/v) 1-propanol, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.20 Å R-free 0.294
3TH2 Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ Deposited 2011-08-18 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa）
Chain L 61–202（142 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 MG MAGNESIUM ION × 3 CA CALCIUM ION × 6 BEN BENZAMIDINE × 1 NA SODIUM ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；298 K；20% PEG 4000, 50 mM Tris-HCL, 50 mM N-(2-Acetamido)iminodiacetic acid, 150 mM NaCl, 5 mM Calcium Chloride, 2.5 mM Magnesium Chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.72 Å R-free 0.233
3TH3 Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ Deposited 2011-08-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa）
Chain L 61–202（142 aa） Fragment：Coagulation Factor VII
Non-standard monomer：Yes (specific site not provided by mmCIF) FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 2 BGC beta-D-glucopyranose × 1 0GE N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-alpha-glutamyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；298 K；20% PEG 4000, 50 mM Tris-HCL, 50 mM N-(2-Acetamido)iminodiacetic acid, 150 mM NaCl, 2.5 mM Calcium Chloride, 1.25 mM Magnesium Chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.70 Å R-free 0.298
3TH4 Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ Deposited 2011-08-18 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa）
Chain L 61–202（142 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 MG MAGNESIUM ION × 2 CA CALCIUM ION × 7 0GE N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-alpha-glutamyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide × 1 CL CHLORIDE ION × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；298 K；20% PEG 4000, 50 mM Tris-HCL, 50 mM N-(2-Acetamido)iminodiacetic acid, 150 mM NaCl, 45 mM Calcium Chloride, 5 mM Magnesium Chloride, pH 7.0, VAPOR DIFFUSION, temperature 298K
Resolution 1.80 Å R-free 0.235
4IBL Rubidium Sites in Blood Coagulation Factor VIIa Deposited 2012-12-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：Heavy Chain
Chain L 61–212（152 aa） Fragment：Light Chain
Non-standard monomer：Yes (specific site not provided by mmCIF) BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 MG MAGNESIUM ION × 3 CA CALCIUM ION × 4 RB RUBIDIUM ION × 6 BEN BENZAMIDINE × 1 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；20 mM Tris-HCL, 200mM RbCl, 5 mM Calcium Chloride, 45 mM Magnesium Chloride , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.80 Å R-free 0.215
4ISH Structure of FACTOR VIIA in complex with the inhibitor BMS-593214 also known as 2'-[(6R,6AR,11BR)-2-CARBAMIMIDOYL-6,6A,7,11B-TETRAHYDRO-5H-INDENO[2,1-C]QUINOLIN-6-YL]-5'-HYDROXY-4'-METHOXYBIPHENYL-4-CARBOXYLIC ACID Deposited 2013-01-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa）
Chain L 150–204（55 aa） Fragment：UNP residues 150-204
Not recorded 1GE 2'-[(6R,6aR,11bR)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000, vapor diffusion, hanging drop, temperature 277K
Resolution 1.82 Å R-free 0.213
4ISI Structure of FACTOR VIIA in complex with the inhibitor (6S)-N-(4-CARBAMIMIDOYLBENZYL)-1-CHLORO-3-(CYCLOBUTYLAMINO)-8,8-DIETHYL-4-OXO-4,6,7,8-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE Deposited 2013-01-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa）
Chain L 150–204（55 aa） Fragment：UNP residues 150-204
Not recorded 1GG (6S)-N-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000, vapor diffusion, hanging drop, temperature 277K
Resolution 1.94 Å R-free 0.229
4JYU Structure of factor VIIA in complex with the inhibitor (2R)-2-[(1-AMINOISOQUINOLIN-6-YL)AMINO]-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-N-(PHENYLSULFONYL)ETHANAMIDE Deposited 2013-04-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa）
Chain L 150–204（55 aa）
Not recorded 1OK (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(phenylsulfonyl)ethanamide × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000, vapor diffusion, hanging drop, temperature 277K
Resolution 1.80 Å R-free 0.192
4JYV Structure of factor VIIA in complex with the inhibitor (2R)-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-2-(ISOQUINOLIN-6-YLAMINO)-N-[(3-SULFAMOYLPHENYL)SULFONYL]ETHANAMIDE Deposited 2013-04-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa）
Chain L 150–204（55 aa）
Not recorded 1OJ (2R)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-N-[(3-sulfamoylphenyl)sulfonyl]ethanamide × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000, vapor diffusion, hanging drop, temperature 277K
Resolution 2.19 Å R-free 0.215
4JZD Structure of factor VIIA in complex with the inhibitor 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid Deposited 2013-04-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：UNP residues 213-466
Chain L 150–204（55 aa） Fragment：UNP residues 150-204
Not recorded 1NJ 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid × 2 CA CALCIUM ION × 1 SO4 SULFATE ION × 6 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；100 mM bicine, pH 9.0, 1.4-1.9 M lithium sulfate, 5% v/v MPD, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.20 Å R-free 0.197
4JZE Structure of factor VIIA in complex with the inhibitor 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid Deposited 2013-04-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：UNP residues 213-466
Chain L 150–204（55 aa） Fragment：UNP residues 150-204
Not recorded 1NK 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM calcium chloride, 17.5% w/v PEG6000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.52 Å R-free 0.210
4JZF Structure of factor VIIA in complex with the inhibitor 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid Deposited 2013-04-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：UNP residues 213-466
Chain L 150–204（55 aa） Fragment：UNP residues 150-204
Not recorded 1NL 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM calcium chloride, 17.5% w/v PEG6000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.84 Å R-free 0.199
4NA9 Factor VIIa in complex with the inhibitor 3'-amino-5'-[(2s,4r)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid Deposited 2013-10-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa）
Chain L 150–204（55 aa）
Not recorded 1T7 3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000, vapor diffusion, hanging drop, temperature 277K
Resolution 2.24 Å R-free 0.245
4NG9 Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide Deposited 2013-11-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：UNP residues 213-466
Chain L 150–204（55 aa） Fragment：UKNP residues 150-204
Not recorded 2KE (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 5 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000, vapor diffusion, hanging drop, temperature 277K
Resolution 2.20 Å R-free 0.222
4NGA Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide Deposited 2013-11-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：UNP residues 213-466
Chain L 150–204（55 aa） Fragment：UNP residues 150-204
Not recorded 2KF (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000, vapor diffusion, hanging drop, temperature 277K
Resolution 2.15 Å R-free 0.228
4X8S FACTOR VIIA IN COMPLEX WITH THE INHIBITOR 4-BROMO-2-METHOXYPHENOL Deposited 2014-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：unp RESIDUES 213-466
Chain L 150–204（55 aa） Fragment：unp RESIDUES 150-204
Not recorded 3Z7 4-bromo-2-methoxyphenol × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000
Resolution 2.10 Å R-free 0.199
4X8T FACTOR VIIA IN COMPLEX WITH THE INHIBITOR 7-chloro-3,4-dihydroisoquinolin-1(2H)-one Deposited 2014-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：unp RESIDUES 213-466
Chain L 150–204（55 aa） Fragment：unp RESIDUES 150-204
Not recorded 3Z8 7-chloro-3,4-dihydroisoquinolin-1(2H)-one × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000
Resolution 2.20 Å R-free 0.221
4X8U FACTOR VIIA IN COMPLEX WITH THE INHIBITOR 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID Deposited 2014-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：unp residues 213-466
Chain L 150–204（55 aa） Fragment：unp residues 150-204
Not recorded 3ZB 5-chloro-1H-indole-2-carboxylic acid × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000
Resolution 2.10 Å R-free 0.201
4X8V FACTOR VIIA IN COMPLEX WITH THE INHIBITOR (methyl {3-[(2R)-1-{(2R)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate) Deposited 2014-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：UNP RESIDUES 213-466
Chain L 150–204（55 aa） Fragment：UNP RESIDUES 150-204
Not recorded 3Z9 methyl {3-[(2R)-1-{(2R)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000
Resolution 2.50 Å R-free 0.230
4YLQ Crystal Structure of a FVIIa-Trypsin Chimera (FT) in Complex with Soluble Tissue Factor Deposited 2015-03-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：UNP residues 213-466
Chain L 61–212（152 aa） Fragment：BLOOD COAGULATION FACTOR VIIA LIGHT CHAIN, UNP residues 61-212
Mutation：[169-175] LQQSRKVGDSPN - EASFPGK Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 9 FUC alpha-L-fucopyranose × 1 TMA TETRAMETHYLAMMONIUM ION × 22 0Z7 N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide × 1 POL N-PROPANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；295 K；0.1M NaCitrate, 16.6% PEG 3350, 12.5% 1-Propanol, with seeding
Resolution 1.40 Å R-free 0.174
4YT6 Factor VIIa in complex with the inhibitor 4-{[(R)-[5-ethoxy-2-fluoro-3-(propan-2-yloxy)phenyl](4-phenyl-1H-imidazol-2-yl)methyl]amino}benzenecarboximidamide Deposited 2015-03-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：UNP residues 213-466
Chain L 148–204（57 aa） Fragment：UNP residues 148-204
Not recorded 4JY 4-[[(R)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1H-imidazol-2-yl)methyl]amino]benzenecarboximidamide × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM calcium chloride, 17.5% w/v PEG6000
Resolution 2.07 Å R-free 0.202
4YT7 Factor VIIa in complex with the inhibitor 2-(2-{(R)-[(4-carbamimidoylphenyl)amino][5-ethoxy-2-fluoro-3-(propan-2-yloxy)phenyl]methyl}-1H-imidazol-4-yl)benzamide Deposited 2015-03-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：UNP residues 213-466
Chain L 148–204（57 aa） Fragment：UNP residues 148-204
Not recorded 4K1 2-[2-[(R)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1H-imidazol-4-yl]benzamide × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM calcium chloride, 17.5% w/v PEG6000
Resolution 2.30 Å R-free 0.198
4Z6A Crystal Structure of a FVIIa-Trypsin Chimera (YT) in Complex with Soluble Tissue Factor Deposited 2015-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：unp residues 213-465
Chain L 108–203（96 aa） Fragment：UNP residues 108-203
Mutation：[169-175] LQQSRKVGDSPN - EASYPGK BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 0Z6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide × 1 CA CALCIUM ION × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；295 K；0.1M NaCitrate, 16.6% PEG 3350, 12.5% 1-Propanol, with seeding
Resolution 2.25 Å R-free 0.240
4ZMA Crystal Structure of a FVIIa-Trypsin Chimera (ST) in Complex with Soluble Tissue Factor Deposited 2015-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa） Fragment：UNP residues 213-466
Chain L 61–212（152 aa）
Mutation：169-175 LQQSRKVGDSPN -> EASSPGK Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 8 BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 0Z6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide × 1 CAC CACODYLATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.1；295 K；0.1M Cacodylate,11% PEG 8000 , with seeding
Resolution 2.30 Å R-free 0.295
4ZXX FACTOR VIIA IN COMPLEX WITH THE INHIBITOR N-{3-[(2R)-1-{(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide Deposited 2015-05-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：UNP residues 213-466
Chain L 150–204（55 aa） Fragment：UNP residues 150-204
Not recorded 4T0 N-{3-[(2R)-1-{(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000
Resolution 2.60 Å R-free 0.248
4ZXY FACTOR VIIA IN COMPLEX WITH THE INHIBITOR (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione Deposited 2015-05-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa） Fragment：UNP residues 213-466
Chain L 150–204（55 aa） Fragment：UNP residues 150-204
Not recorded 4T1 (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000
Resolution 2.06 Å R-free 0.211
5I46 Factor VIIA in complex with the inhibitor (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione Deposited 2016-02-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa）
Chain L 150–204（55 aa）
Not recorded 67O (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 3 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000
Resolution 2.06 Å R-free 0.239
5L0S human POGLUT1 in complex with Factor VII EGF1 and UDP Deposited 2016-07-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 105–145（41 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 UDP URIDINE-5'-DIPHOSPHATE × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 2 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；20% PEG5000 MME, 50 mM MES pH 6.5, 2mM CaCl2, 250mM NaCl, 5% glycerol
Resolution 1.45 Å R-free 0.159
5L2Y Factor VIIa in complex with the inhibitor 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,20-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6,8,10(21),16,19-hexaen-7-yl] cyclobutane-1-carboxylic acid Deposited 2016-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa）
Chain L 150–204（55 aa）
Not recorded 70D 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclobutane-1-carboxylic acid × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000
Resolution 1.82 Å R-free 0.189
5L2Z Factor VIIa in complex with the inhibitor 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid Deposited 2016-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa）
Chain L 147–204（58 aa）
Not recorded 70C 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000
Resolution 1.79 Å R-free 0.203
5L30 Factor VIIa in complex with the inhibitor (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione Deposited 2016-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa）
Chain L 147–204（58 aa）
Not recorded 70A (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000
Resolution 1.73 Å R-free 0.194
5PA8 Crystal Structure of Factor VIIa in complex with cyclohexanamine Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain C 213–466（254 aa）
Not recorded GOL GLYCEROL × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 SO4 SULFATE ION × 3 HAI CYCLOHEXYLAMMONIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.98 Å R-free 0.204
5PA9 Crystal Structure of Factor VIIa in complex with phenylmethanamine;hydrochloride Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain C 213–466（254 aa）
Not recorded GOL GLYCEROL × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 SO4 SULFATE ION × 2 ABN BENZYLAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.55 Å R-free 0.196
5PAA Crystal Structure of Factor VIIa in complex with cyclohexylmethanamine Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain C 213–466（254 aa）
Not recorded GOL GLYCEROL × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 4 AMC AMINOMETHYLCYCLOHEXANE × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.98 Å R-free 0.214
5PAB Crystal Structure of Factor VIIa in complex with 1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenylurea Deposited 2016-11-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa）
Chain L 149–212（64 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 7XD 1-[[3-[2-oxidanyl-3-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenyl-urea × 1 CL CHLORIDE ION × 3 GOL GLYCEROL × 4 CA CALCIUM ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.99 Å R-free 0.220
5PAC human factor VIIa in complex with 5-hydroxy-N-(4-oxo-3H-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide at 1.50A Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain B 213–466（254 aa）
Not recorded GOL GLYCEROL × 2 7Y7 5-hydroxy-N-(4-oxo-3H-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.50 Å R-free 0.211
5PAE Crystal Structure of Factor VIIa in complex with (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain B 213–466（254 aa）
Not recorded SO4 SULFATE ION × 5 GOL GLYCEROL × 2 7YA (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.45 Å R-free 0.188
5PAF Crystal Structure of Factor VIIa in complex with N-(2-amino-1H-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]-5-chlorophenyl]acetamide;2,2,2-trifluoroacetic acid Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain B 213–466（254 aa）
Not recorded GOL GLYCEROL × 4 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 3 7LR N-(2-amino-1H-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]-5-chlorophenyl]acetamide × 1 TFA trifluoroacetic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.50 Å R-free 0.185
5PAG Crystal Structure of Factor VIIa in complex with (2R)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-methylbutanamide;hydrobromide Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa） Fragment：FACTOR VII HEAVY CHAIN, RESIDUES 149-466
Chain B 213–466（254 aa） Fragment：FACTOR VII HEAVY CHAIN, RESIDUES 149-466
Not recorded GOL GLYCEROL × 2 7YJ (2R)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-methylbutanamide × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.36 Å R-free 0.194
5PAI human factor VIIa in complex with N-(2-amino-1H-benzimidazol-5-yl)-1-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]methyl]phenyl]-5-hydroxypyrazole-4-carboxamide at 1.73A Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain B 213–466（254 aa）
Not recorded GOL GLYCEROL × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 2 7YM N-(2-amino-1H-benzimidazol-5-yl)-1-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]methyl]phenyl]-5-hydroxypyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.73 Å R-free 0.181
5PAJ Crystal Structure of Factor VIIa in complex with 1-(1-aminoisoquinolin-6-yl)-3-benzylurea Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain B 213–466（254 aa）
Not recorded CL CHLORIDE ION × 2 7XJ 1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.70 Å R-free 0.224
5PAK Crystal Structure of Factor VIIa in complex with N-[[4-(aminomethyl)-2-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxyacetamide;hydrochloride Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain C 213–466（254 aa）
Not recorded CA CALCIUM ION × 1 SO4 SULFATE ION × 2 7YP (2~{S})-~{N}-[[4-(aminomethyl)-2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxy-ethanami de × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.56 Å R-free 0.203
5PAM Crystal Structure of Factor VIIa in complex with 2-[(1-aminoisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluorophenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain B 213–466（254 aa）
Not recorded CL CHLORIDE ION × 3 GOL GLYCEROL × 2 CA CALCIUM ION × 1 SO4 SULFATE ION × 1 7Z1 (2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.60 Å R-free 0.190
5PAN Crystal Structure of Factor VIIa in complex with 5-hydroxy-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain B 213–466（254 aa）
Not recorded SO4 SULFATE ION × 3 GOL GLYCEROL × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 7Z4 5-hydroxy-N-(1-oxo-1H-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1H-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.62 Å R-free 0.179
5PAO Crystal Structure of Factor VIIa in complex with (2S)-2,3-dihydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide;hydrobromide Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain C 213–466（254 aa）
Not recorded SO4 SULFATE ION × 5 GOL GLYCEROL × 2 CA CALCIUM ION × 1 7Z7 (2S)-2,3-dihydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.40 Å R-free 0.188
5PAQ Crystal Structure of Factor VIIa in complex with 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain B 213–466（254 aa）
Not recorded CL CHLORIDE ION × 3 GOL GLYCEROL × 2 CA CALCIUM ION × 1 SO4 SULFATE ION × 1 7ZA 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.59 Å R-free 0.194
5PAR Crystal Structure of Factor VIIa in complex with 1H-benzimidazol-2-amine Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain C 213–466（254 aa）
Not recorded AX7 1H-benzimidazol-2-amine × 4 GOL GLYCEROL × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 2.10 Å R-free 0.220
5PAS Crystal Structure of Factor VIIa in complex with (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain C 213–466（254 aa）
Not recorded GOL GLYCEROL × 2 7ZD (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.48 Å R-free 0.206
5PAT Crystal Structure of Factor VIIa in complex with N-(2-amino-1H-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain B 213–466（254 aa）
Not recorded 7ZG N-(2-amino-1H-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.60 Å R-free 0.217
5PAU Crystal Structure of Factor VIIa in complex with N-(2-amino-1H-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]phenyl]acetamide;2,2,2-trifluoroacetic acid Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain C 213–466（254 aa）
Not recorded GOL GLYCEROL × 3 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 SO4 SULFATE ION × 2 7ZJ N-(2-amino-1H-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]phenyl]acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.55 Å R-free 0.204
5PAV Crystal Structure of Factor VIIa in complex with N-(6-aminopyridin-3-yl)-5-hydroxy-1-phenylpyrazole-4-carboxamide Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain C 213–466（254 aa）
Not recorded SO4 SULFATE ION × 2 GOL GLYCEROL × 5 CA CALCIUM ION × 1 CL CHLORIDE ION × 3 7ZM N-(6-aminopyridin-3-yl)-5-hydroxy-1-phenylpyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.40 Å R-free 0.197
5PAW Crystal Structure of Factor VIIa in complex with isoquinoline-1,6-diamine Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain B 213–466（254 aa）
Not recorded CL CHLORIDE ION × 3 CA CALCIUM ION × 1 SO4 SULFATE ION × 2 7XM isoquinoline-1,6-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 2.20 Å R-free 0.220
5PAX Crystal Structure of Factor VIIa in complex with 1-(2,6-difluorophenyl)-3-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]urea Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain C 213–466（254 aa）
Not recorded GOL GLYCEROL × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 2 7ZP 1-(2,6-difluorophenyl)-3-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.36 Å R-free 0.192
5PAY Crystal Structure of Factor VIIa in complex with 1-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain C 213–466（254 aa）
Not recorded SO4 SULFATE ION × 2 GOL GLYCEROL × 3 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 7ZY 1-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.66 Å R-free 0.194
5PB0 Crystal Structure of Factor VIIa in complex with 2-(4-ethoxy-3-methoxyphenyl)-2-(isoquinolin-6-ylamino)acetic acid Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa） Fragment：FACTOR VII RESIDUES 148-466
Chain B 213–466（254 aa） Fragment：FACTOR VII RESIDUES 148-466
Not recorded CL CHLORIDE ION × 3 SO4 SULFATE ION × 5 GOL GLYCEROL × 1 7LX (2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.98 Å R-free 0.193
5PB1 Crystal Structure of Factor VIIa in complex with benzenecarboximidamide Deposited 2016-11-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain D 213–466（254 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 6 GOL GLYCEROL × 4 CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.90 Å R-free 0.210
5PB2 Crystal Structure of Factor VIIa in complex with 2-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-3-ol Deposited 2016-11-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain C 213–466（254 aa）
Not recorded GOL GLYCEROL × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 SO4 SULFATE ION × 1 9RP 1-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.45 Å R-free 0.204
5PB3 Crystal Structure of Factor VIIa in complex with 1-[[3-[4-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-5-hydroxypyrazol-1-yl]phenyl]methyl]-3-phenylurea Deposited 2016-11-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain C 213–466（254 aa）
Not recorded SO4 SULFATE ION × 2 GOL GLYCEROL × 3 9S1 N-({3-[4-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-5-hydroxy-1H-pyrazol-1-yl]phenyl}methyl)-N'-phenylurea × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.90 Å R-free 0.211
5PB4 human factor VIIa in complex with 1-[[3-[5-hydroxy-3-methyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea at 2.43A Deposited 2016-11-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain C 213–466（254 aa）
Not recorded GOL GLYCEROL × 2 9RS N-({3-[5-hydroxy-3-methyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-1-yl]phenyl}methyl)-N'-phenylurea × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 2.43 Å R-free 0.230
5PB5 human factor VIIa in complex with 1-[[3-[5-hydroxy-4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea at 1.84A Deposited 2016-11-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain B 213–466（254 aa）
Not recorded GOL GLYCEROL × 1 9RY N-({3-[5-hydroxy-4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]phenyl}methyl)-N'-phenylurea × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.84 Å R-free 0.200
5PB6 Crystal Structure of Factor VIIa in complex with N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]pentanamide Deposited 2016-11-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 149–212（64 aa）
Chain C 213–466（254 aa）
Not recorded SO4 SULFATE ION × 2 GOL GLYCEROL × 3 CA CALCIUM ION × 1 CL CHLORIDE ION × 3 9RV N-({3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-1-yl]phenyl}methyl)pentanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；16 mg/ml protein in 20mM Tris/HCl pH 8.4, 5 mM benzamidine, 0.1 M NaCl, 50 mM CaCl2 mixed 1+1 with 32-35% AMMONIUM SULPHATE, 2% PEG 4000, 0.1 M Bicine-NaOH pH 8.5, 15% glycerol
Resolution 1.90 Å R-free 0.210
5TQE Factor VIIa in complex with the inhibitor (5R)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione Deposited 2016-10-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa）
Chain L 150–204（55 aa）
Not recorded 7KQ (5R)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000
Resolution 1.90 Å R-free 0.209
5TQF Factor VIIa in complex with the inhibitor (11R)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione Deposited 2016-10-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa）
Chain L 150–204（55 aa）
Not recorded 7KR (11R)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000
Resolution 1.85 Å R-free 0.208
5TQG Factor VIIa in complex with the inhibitor (5R,11R)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione Deposited 2016-10-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa）
Chain L 150–204（55 aa）
Not recorded 7KS (5R,11R)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000
Resolution 1.90 Å R-free 0.204
5U6J Factor VIIa in complex with the inhibitor 3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide Deposited 2016-12-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain H 213–466（254 aa）
Chain L 150–204（55 aa）
Not recorded 82J 3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 20 mM CACL2, 17.5%(W/V) PEG 6000
Resolution 2.30 Å R-free 0.220
6R2W Crystal structure of the super-active FVIIa variant VYT in complex with tissue factor Deposited 2019-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 213–466（254 aa）
Chain L 61–203（143 aa）
Mutation：L350V,371-375del,K376E,V377A,G378S,D379Y,S380P,P381G,N382K Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 9 FUC alpha-L-fucopyranose × 1 TMA TETRAMETHYLAMMONIUM ION × 10 0Z7 N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；295 K；0.1 M sodium citrate, pH 5.6, 15.6 % (w/v) PEG 3350, 12 % (v/v) 1-Propanol
Resolution 1.25 Å R-free 0.194
8CN9 Factor VII binding Fab of the bispecific antibody HMB-001 in complex with Factor VII Deposited 2023-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 213–466（254 aa）
Chain D 106–212（107 aa）
Not recorded CA CALCIUM ION × 2 BGC beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；293 K；0.15 M Cesium chloride 15% w/v Polyethylene glycol 3,350
Resolution 3.40 Å R-free 0.356
8CN9 Factor VII binding Fab of the bispecific antibody HMB-001 in complex with Factor VII Deposited 2023-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain H 213–466（254 aa）
Chain I 106–212（107 aa）
Not recorded CA CALCIUM ION × 3 BGC beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；293 K；0.15 M Cesium chloride 15% w/v Polyethylene glycol 3,350
Resolution 3.40 Å R-free 0.356
8CN9 Factor VII binding Fab of the bispecific antibody HMB-001 in complex with Factor VII Deposited 2023-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain M 213–466（254 aa）
Chain N 106–212（107 aa）
Not recorded CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；293 K；0.15 M Cesium chloride 15% w/v Polyethylene glycol 3,350
Resolution 3.40 Å R-free 0.356
8CN9 Factor VII binding Fab of the bispecific antibody HMB-001 in complex with Factor VII Deposited 2023-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 213–466（254 aa）
Chain S 106–212（107 aa）
Not recorded CA CALCIUM ION × 2 BGC beta-D-glucopyranose × 1 CS CESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；293 K；0.15 M Cesium chloride 15% w/v Polyethylene glycol 3,350
Resolution 3.40 Å R-free 0.356
8QOD CRYSTAL STRUCTURE OF FVIIA IN COMPLEX WITH A BENZAMIDINE-BASED INHIBITOR Deposited 2023-09-28 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 63–203（141 aa）
Chain B 213–466（254 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 4 MG MAGNESIUM ION × 1 GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 WIZ 3-[2-bromanyl-4-[(1~{S})-1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]phenoxy]benzoic acid × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；The VIIa/sTF complex was crystallized using the sitting drop or the hanging drop vapor diffusion method. Specifically, the protein drop contained 4 mg/ml VIIa/sTF complex, 20 mm Tris-HCl, pH 7.5, 200 mm NaCl, 10 mm CaCl2, and 10 mm pAB or 10 mm benzamidine, whereas the reservoir solution contained 16-22% PEG 4000, 100 mm MgCl2, and 20 mm BisTris, pH 6.5. Drops were prepared by mixing 2 ul of protein solution with 2 ul of reservoir solution at 20 C. Crystals appeared within 7 days and were allowed to grow up to 14-20 days before being flash-frozen without additional cryoprotectant.
Resolution 1.57 Å R-free 0.214
8QQ6 CRYSTAL STRUCTURE OF FVIIA IN COMPLEX WITH A BENZAMIDINE-BASED INHIBITOR Deposited 2023-10-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 63–203（141 aa）
Chain B 213–466（254 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 2 MG MAGNESIUM ION × 1 GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CL CHLORIDE ION × 2 WSV 2-azanyl-~{N}-[[2-[2-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]amino]-1,3-oxazol-5-yl]phenyl]methyl]-~{N}-methyl-ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；The VIIa/sTF complex was crystallized using the sitting drop or the hanging drop vapor diffusion method. Specifically, the protein drop contained 4 mg/ml VIIa/sTF complex, 20 mm Tris-HCl, pH 7.5, 200 mm NaCl, 10 mm CaCl2, and 10 mm pAB or 10 mm benzamidine, whereas the reservoir solution contained 16-22% PEG 4000, 100 mm MgCl2, and 20 mm BisTris, pH 6.5. Drops were prepared by mixing 2 ul of protein solution with 2 ul of reservoir solution at 20 C. Crystals appeared within 7 days and were allowed to grow up to 14-20 days before being flash-frozen without additional cryoprotectant.
Resolution 1.87 Å R-free 0.259
8UUD BCX2627 complexed with human FVIIa and soluble Tissue Factor. Deposited 2023-11-01 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 213–466（254 aa）
Chain L 61–202（142 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 XGX (1P)-2'-[(4-carbamimidoylphenyl)carbamoyl]-4'-ethenyl-4-[(2-methylpropyl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；14% (w/v)PEG 4K, 0.1M MgCl2, 0.1M ADA buffer, pH 6.5, VAPOR DIFFUSION,
Resolution 2.40 Å R-free 0.265
9TJX Structure of factor VII Gla domain bound to EPCR Deposited 2025-12-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 61–92（32 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 2 PTY PHOSPHATIDYLETHANOLAMINE × 1 CA CALCIUM ION × 5 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.2 M Ammonium sulfate, 0.1 M Tris PH 8.5, 12 % w/v PEG 8000
Resolution 3.00 Å R-free 0.295
9TJX Structure of factor VII Gla domain bound to EPCR Deposited 2025-12-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain L 61–92（32 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 2 PTY PHOSPHATIDYLETHANOLAMINE × 1 CA CALCIUM ION × 5 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.2 M Ammonium sulfate, 0.1 M Tris PH 8.5, 12 % w/v PEG 8000
Resolution 3.00 Å R-free 0.295
9TJX Structure of factor VII Gla domain bound to EPCR Deposited 2025-12-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain R 61–92（32 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) PTY PHOSPHATIDYLETHANOLAMINE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 5 MG MAGNESIUM ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.2 M Ammonium sulfate, 0.1 M Tris PH 8.5, 12 % w/v PEG 8000
Resolution 3.00 Å R-free 0.295
9TJX Structure of factor VII Gla domain bound to EPCR Deposited 2025-12-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 61–92（32 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 1 PTY PHOSPHATIDYLETHANOLAMINE × 1 CA CALCIUM ION × 5 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.2 M Ammonium sulfate, 0.1 M Tris PH 8.5, 12 % w/v PEG 8000
Resolution 3.00 Å R-free 0.295

113 other PDB entries and 123 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name FA7_HUMAN
Isoform —
PDB entities 1, 3
Chains and sequence ranges Author chain V； PDBConstruct 1–142； UniProt 61–202 Author chain S； PDBConstruct 1–254； UniProt 213–466

Factor X light chain

Homo sapiens

UniProt P00742

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Heteromer Protein × 7 PDB declaration: heptameric（7） Consistent with protein copy count Chain X； UniProt 41–171 Non-standard monomer：Yes (specific site not provided by mmCIF) Factor VII light chain × 1 （P08709） Coagulation factor VII Heavy Chain × 1 （P08709） Tissue factor,Maltose/maltodextrin-binding periplasmic protein × 1 （P13726,P0AEY0） Tissue factor pathway inhibitor × 1 （P10646） Human 10H10 antibody Fab heavy chain × 1 Human 10H10 antibody Fab light chain × 1 MG MAGNESIUM ION × 4 CA CALCIUM ION × 12 BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.4 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.70 Å

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 9P0X Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1C5M STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR Deposited 1999-12-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain D 235–488（254 aa） Fragment：HEAVY CHAIN
Chain F 84–179（96 aa） Fragment：LIGHT CHAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；crystallization conditions : Crystals of truncated human factor Xa were grown in hanging drops from equal volumes of protein solution (5.0 mg/ml in 20 mM Hepes, 50 mM ammonimum sulfate, pH 8.0) and well solution (25 % PEG 5K, 0.10 M Hepes, 0.2 M ammonium sulfate, pH 7.5)., VAPOR DIFFUSION
Resolution 1.95 Å R-free 0.307
1EZQ CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR128515 Deposited 2000-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED FACTOR XA, HEAVY CHAIN
Chain B 46–179（134 aa） Fragment：FACTOR X LIGHT CHAIN
Not recorded CA CALCIUM ION × 1 RPR 3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；292 K；18-20% PEG 600, 50mM Mes-NaOH, 1mM RPR128515, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.20 Å R-free 0.267
1F0R CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208815 Deposited 2000-05-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED FACTOR XA, HEAVY CHAIN
Chain B 46–179（134 aa） Fragment：FACTOR X LIGHT CHAIN
Not recorded CA CALCIUM ION × 1 815 THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；292 K；18-22%PEG 600, 50mM Mes-NaOH, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å R-free 0.263
1F0S Crystal Structure of Human Coagulation Factor XA Complexed with RPR208707 Deposited 2000-05-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED FACTOR XA, HEAVY CHAIN
Chain B 46–179（134 aa） Fragment：FACTOR X LIGHT CHAIN
Not recorded CA CALCIUM ION × 1 PR2 THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；292 K；18-22%PEG 600, 50mM Mes-NaOH, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å R-free 0.263
1FAX COAGULATION FACTOR XA INHIBITOR COMPLEX Deposited 1996-08-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–481（247 aa）
Chain L 84–179（96 aa）
Mutation：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN, RESIDUES 1 - 44 OF THE LIGHT CHAIN, ARE REMOVED Mutation：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN, RESIDUES 1 - 44 OF THE LIGHT CHAIN, ARE REMOVED CA CALCIUM ION × 1 DX9 (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.00 Å R-free 0.261
1FJS CRYSTAL STRUCTURE OF THE INHIBITOR ZK-807834 (CI-1031) COMPLEXED WITH FACTOR XA Deposited 2000-08-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：HEAVY CHAIN, CATALYTIC DOMAIN
Chain L 127–178（52 aa） Fragment：LIGHT CHAIN, EPIDERMAL GROWTH FACTOR LIKE DOMAIN
Not recorded CA CALCIUM ION × 1 CL CHLORIDE ION × 1 Z34 N-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-3,5-DIFLUORO-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDIN-4-YL]-N-METHYLGLYCINE × 1 GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；295 K；Drop; 2 microliter, 12 mg/ml Factor Xa, 50 mM Tris pH 8.0, 75 mM NaCl + 2 microlter reservoir: Reservoir; 15-21% PEG-1500 and 10mM CaCl2, VAPOR DIFFUSION, temperature 295K
Resolution 1.92 Å R-free 0.256
1G2L FACTOR XA INHIBITOR COMPLEX Deposited 2000-10-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：CATALYTIC DOMAIN
Chain B 86–179（94 aa） Fragment：DES-GLA FRAGMENT
Not recorded CA CALCIUM ION × 1 T87 [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-1-METHYL-1H-BENZOIMIDAZOL-5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å R-free 0.272
1G2M FACTOR XA INHIBITOR COMPLEX Deposited 2000-10-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：CATALYTIC DOMAIN
Chain B 86–179（94 aa） Fragment：DES-GLA FRAGMENT
Not recorded CA CALCIUM ION × 1 R11 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-1-YLMETHYL)-1H-BENZOIMIDAZOL-2-YLMETHYL]-AMINO}-BENZAMIDINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.02 Å R-free 0.278
1HCG STRUCTURE OF HUMAN DES(1-45) FACTOR XA AT 2.2 ANGSTROMS RESOLUTION Deposited 1993-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa）
Chain B 129–179（51 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å
1IOE Human coagulation factor Xa in complex with M55532 Deposited 2001-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：HEAVY CHAIN, CATALYTIC DOMAIN (RESIDUES 235-469)
Chain L 84–179（96 aa） Fragment：LIGHT CHAIN, EPIDERMAL GROWTH FACTOR LIKE DOMAIN (RESIDUES 84-179)
Not recorded CA CALCIUM ION × 1 XMA (-)-7-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]TETRAHYDRO-8A-(METHOXYMETHYL)-1'-(4-PYRIDINYL)-SPIRO[5H-OXAZOLO[3,2-A]PYRAZINE-2(3H),4'-PIPERIDIN]-5-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, CALCIUM CHLORIDE, M55532,TRIS-HCL, pH 7.20, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
Resolution 2.90 Å R-free 0.295
1IQE Human coagulation factor Xa in complex with M55590 Deposited 2001-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMB 4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-THIOMORPHOLINE-1,1-DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M55590, tris-HCl, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.90 Å R-free 0.297
1IQF Human coagulation factor Xa in complex with M55165 Deposited 2001-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMD (2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M55165, tris-HCl, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.20 Å R-free 0.277
1IQG Human coagulation factor Xa in complex with M55159 Deposited 2001-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XME 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M55159, tris-HCl, pH 7.20, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.60 Å R-free 0.271
1IQH Human coagulation factor Xa in complex with M55143 Deposited 2001-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMF 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M55143, tris-HCl, pH 7.20, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.00 Å R-free 0.286
1IQI Human coagulation factor Xa in complex with M55125 Deposited 2001-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMG 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-2-PIPERAZINECARBOXYLIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M55125, tris-HCl, pH 7.20, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.90 Å R-free 0.290
1IQJ Human coagulation factor Xa in complex with M55124 Deposited 2001-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMH 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M55124, tris-HCl, pH 7.20, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.00 Å R-free 0.293
1IQK Human coagulation factor Xa in complex with M55113 Deposited 2001-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMI 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M55113, tris-HCl, pH 7.20, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.20 Å R-free 0.280
1IQL Human coagulation factor Xa in complex with M54476 Deposited 2001-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMJ 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M54476, tris-HCl, pH 7.20, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.70 Å R-free 0.304
1IQM Human coagulation factor Xa in complex with M54471 Deposited 2001-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMK 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M54471, tris-HCl, pH 7.20, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.60 Å R-free 0.284
1IQN Human coagulation factor Xa in complex with M55192 Deposited 2001-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–469（235 aa） Fragment：heavy chain, catalytic domain (residues 235-469)
Chain L 84–179（96 aa） Fragment：light chain, epidermal growth factor like domain (residues 84-179)
Not recorded CA CALCIUM ION × 1 XMC 4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINYL]CARBONYL]MORPHOLINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；PEG1500, calcium chloride, M55192, tris-HCl, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.60 Å R-free 0.254
1KSN Crystal Structure of Human Coagulation Factor XA Complexed with FXV673 Deposited 2002-01-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED FACTOR XA, HEAVY CHAIN
Chain B 46–179（134 aa） Fragment：FACTOR X LIGHT CHAIN
Not recorded CA CALCIUM ION × 1 FXV METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；292 K；18-20% PEG 600, 50MM MES-NAOH, 1MM RPR128515, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å
1LPG CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 79. Deposited 2002-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 46–179（134 aa） Fragment：light chain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CaCl2, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.00 Å R-free 0.288
1LPG CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 79. Deposited 2002-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 235–488（254 aa）
Not recorded CA CALCIUM ION × 1 IMA [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-METHYL)-PHENYL]-TRIMETHYL-AMMONIUM × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CaCl2, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.00 Å R-free 0.288
1LPK CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 125. Deposited 2002-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 46–179（134 aa） Fragment：light chain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CaCl2, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.20 Å R-free 0.280
1LPK CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 125. Deposited 2002-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 235–488（254 aa）
Not recorded CA CALCIUM ION × 1 CBB 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-BENZYLESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CaCl2, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.20 Å R-free 0.280
1LPZ CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 41. Deposited 2002-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 46–179（134 aa） Fragment：light chain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CaCl2, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.40 Å R-free 0.279
1LPZ CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 41. Deposited 2002-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 235–488（254 aa）
Not recorded CA CALCIUM ION × 1 CMB 1-(3-carbamimidoylbenzyl)-N-(3,5-dichlorobenzyl)-4-methyl-1H-indole-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CaCl2, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.40 Å R-free 0.279
1LQD CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 45. Deposited 2002-05-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 46–179（134 aa） Fragment：light chain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CaCl2, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.70 Å R-free 0.295
1LQD CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 45. Deposited 2002-05-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 235–488（254 aa）
Not recorded CA CALCIUM ION × 1 CMI 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-1H-INDOLE-2-CARBOXYLIC ACID 3,5-DIMETHYL-BENZYLAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CaCl2, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.70 Å R-free 0.295
1MQ5 Crystal Structure of 3-chloro-N-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa Deposited 2002-09-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：CATALYTIC DOMAIN
Chain L 127–177（51 aa） Fragment：EPIDERMAL GROWTH FACTOR LIKE DOMAIN 2
Not recorded CA CALCIUM ION × 1 XLC 3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]-4-[(4-METHYL-1-PIPERAZINYL)METHYL]-2-THIOPHENECARBOXAMIDE × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；A THREE-FOLD EXCESS OF A PROPRIETARY FACTOR XA INHIBITOR WITH PICOMOLAR AFFINITY WAS ADDED TO THE DES-GLA-FACTOR XA. THIS INHIBITOR IS BASED ON THE SAME TEMPLATE AS XLC IN 1MQ5. THE PROTEIN WAS THEN CONCENTRATED TO 12-17 MG/ML. CRYSTALS WERE GROWN USING 2 UL OF COMPLEX WITH 2 UL OF RESERVOIR CONTAINING 15-21% PEG1500 AND 10 MM CACL2. 30-40 UL SITTING DROPS CONTAINING SATURATED INHIBITOR (5 MM) IN 21% PEG1500, 5 MM CACL2, 50 MM NACL, 50 MM TRIS PH 7.5 (CRYSTAL SOAKING SOLUTION) WERE EQUILIBRATED OVER A 1 ML RESERVOIR CONTAINING THE CRYSTAL SOAKING SOLUTION FOR 1 TO 2 DAYS. A SINGLE FACTOR XA CRYSTAL WAS TRANSFERRED USING A MOUNTED CRYOLOOP INTO ONE OF THESE SITTING DROPS AND ALLOWED TO SOAK FOR THREE OR MORE Days. AFTER THE INITIAL SOAK, EACH CRYSTAL WAS THEN TRANSFERRED TO AN UNUSED DROP AND ALLOWED TO SOAK FOR SECOND PERIOD OF THREE OR MORE DAYS. pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.264
1MQ6 Crystal Structure of 3-chloro-N-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa Deposited 2002-09-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：CATALYTIC DOMAIN
Chain L 127–177（51 aa） Fragment：EPIDERMAL GROWTH FACTOR LIKE DOMAIN 2
Not recorded CA CALCIUM ION × 1 XLD 3-CHLORO-N-[4-CHLORO-2-[[(5-CHLORO-2-PYRIDINYL)AMINO]CARBONYL]-6-METHOXYPHENYL]-4-[[(4,5-DIHYDRO-2-OXAZOLYL)METHYLAMINO]METHYL]-2-THIOPHENECARBOXAMIDE × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；A THREE-FOLD EXCESS OF A PROPRIETARY FACTOR XA INHIBITOR WITH PICOMOLAR AFFINITY WAS ADDED TO THE DES-GLA-FACTOR XA. THIS INHIBITOR IS BASED ON THE SAME TEMPLATE AS XLD IN 1MQ6. THE PROTEIN WAS THEN CONCENTRATED TO 12-17 MG/ML. CRYSTALS WERE GROWN USING 2 UL OF COMPLEX WITH 2 UL OF RESERVOIR CONTAINING 15-21% PEG1500 AND 10 MM CACL2. 30-40 UL SITTING DROPS CONTAINING SATURATED INHIBITOR (5 MM) IN 21% PEG1500, 5 MM CACL2, 20 MM NACL, 25 MM TRIS PH 7.5 (CRYSTAL SOAKING SOLUTION) WERE EQUILIBRATED OVER A 1 ML RESERVOIR CONTAINING THE CRYSTAL SOAKING SOLUTION FOR 1 TO 2 DAYS. A SINGLE FACTOR XA CRYSTAL WAS TRANSFERRED USING A MOUNTED CRYOLOOP INTO ONE OF THESE SITTING DROPS AND ALLOWED TO SOAK FOR THREE OR MORE DAYS. AFTER THE INITIAL SOAK, EACH CRYSTAL WAS THEN TRANSFERRED TO AN UNUSED DROP AND ALLOWED TO SOAK FOR SECOND PERIOD OF THREE OR MORE DAYS. pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.268
1NFU CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR132747 Deposited 2002-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–240（195 aa）
Not recorded CA CALCIUM ION × 1 RRP 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；292 K；18-20% PEG 600, 50MM MES-NAOH,1MM RPR132747, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.05 Å
1NFW CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR209685 Deposited 2002-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa）
Not recorded CA CALCIUM ION × 1 RRR 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；292 K；18-20% PEG 600, 50MM MES-NAOH,1MM RPR209685, pH 5.70 , VAPOR DIFFUSION, HANGING DROP, temperature 292 K
Resolution 2.10 Å
1NFX CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208944 Deposited 2002-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa）
Not recorded CA CALCIUM ION × 1 RDR 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；292 K；18-20% PEG 600, 50MM MES-NAOH,1MM RPR208944, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.15 Å
1NFY CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR200095 Deposited 2002-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa）
Not recorded CA CALCIUM ION × 1 RTR 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；292 K；18-20% PEG 600, 50MM MES-NAOH,1MM RPR200095, pH 5.70, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å
1P0S Crystal Structure of Blood Coagulation Factor Xa in Complex with Ecotin M84R Deposited 2003-04-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain H 235–488（254 aa） Fragment：Factor Xa Heavy Chain
Chain L 41–178（138 aa） Fragment：Factor Xa Light Chain
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 8 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；298 K；PEG 3350, sodium potassium tartrate, sodium chloride, magnesium chloride, glycerol, MPD , pH 7.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.80 Å R-free 0.234
1V3X Factor Xa in complex with the inhibitor 1-[6-methyl-4,5,6,7-tetrahydrothiazolo(5,4-c)pyridin-2-yl] carbonyl-2-carbamoyl-4-(6-chloronaphth-2-ylsulphonyl)piperazine Deposited 2003-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：Residues 16-243
Chain B 127–178（52 aa） Fragment：Residues 87-138
Not recorded CA CALCIUM ION × 2 D76 (2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ INE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions vapor diffusion, macro-seeding, Soaking；pH 5；293 K；PEG6000, sodium acetate, Malate imidazole, Calcium chloride, pH 5.00, vapor diffusion, macro-seeding, Soaking, temperature 293K
Resolution 2.20 Å R-free 0.233
1WU1 Factor Xa in complex with the inhibitor 4-[(5-chloroindol-2-yl)sulfonyl]-2-(2-methylpropyl)-1-[[5-(pyridin-4-yl) pyrimidin-2-yl]carbonyl]piperazine Deposited 2004-11-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：RESIDUES 16-243
Chain B 85–179（95 aa） Fragment：RESIDUES 85-138
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 2 D91 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN-4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN-1-YL}SULFONYL)-1H-INDOLE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；PEG6000, NaAcetate, pH 5.00, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.30 Å R-free 0.235
1XKA FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID Deposited 1998-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 235–469（235 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain L 85–179（95 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 1 4PP (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.5
Resolution 2.30 Å R-free 0.287
1XKB FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID Deposited 1998-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 85–179（95 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain C 235–469（235 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 2 4PP (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.40 Å R-free 0.294
1XKB FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID Deposited 1998-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 85–179（95 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain D 235–469（235 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 1 4PP (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.40 Å R-free 0.294
1XKB FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID Deposited 1998-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 85–179（95 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain B 85–179（95 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain C 235–469（235 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain D 235–469（235 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 3 4PP (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.40 Å R-free 0.294
1XKB FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID Deposited 1998-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 85–179（95 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain B 85–179（95 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain C 235–469（235 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Chain D 235–469（235 aa） Fragment：PROTEOLYTIC CLEAVAGE PRODUCT, GLA DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 3 4PP (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.40 Å R-free 0.294
1Z6E Factor XA in complex with the inhibitor 1-(3'-amino-1,2-benzisoxazol-5'-yl)-n-(4-(2'-((dimethylamino)methyl)-1h-imidazol-1-yl)-2-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide (razaxaban; DPC906; BMS-561389) Deposited 2005-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：UNP residues 235-468
Chain L 127–178（52 aa） Fragment：UNP residues 127-178
Not recorded IK8 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-N-(4-{2-[(DIMETHYLAMINO)METHYL]-1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL) -1H-PYRAZOLE-5-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.260
2BMG Crystal structure of factor Xa in complex with 50 Deposited 2005-03-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 126–178（53 aa） Fragment：LIGHT CHAIN, RESIDUES 126-178
Chain B 235–468（234 aa） Fragment：HEAVY CHAIN, RESIDUES 235-468
Not recorded CA CALCIUM ION × 1 I1H 3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN-4-YL)METHYL]BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CACL2, PH 5.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0K
Resolution 2.70 Å R-free 0.277
2BOH Crystal structure of factor Xa in complex with compound "1" Deposited 2005-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 126–234（109 aa） Fragment：LIGHT CHAIN, RESIDUES 126-234
Chain B 235–488（254 aa） Fragment：LIGHT CHAIN, RESIDUES 235-488
Not recorded CA CALCIUM ION × 1 IIA 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CACL2, PH 5.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0 K
Resolution 2.20 Å R-free 0.253
2BOK Factor Xa - cation Deposited 2005-04-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 234-475
Chain L 126–180（55 aa） Fragment：EGF2 DOMAIN, RESIDUES 126-180
Mutation：YES 784 [AMINO (4-{(3AS,4R,8AS,8BR)-1,3-DIOXO-2- [3-(TRIMETHYLAMMONIO) PROPYL]DECAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL}PHENYL) METHYLENE]AMMONIUM × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.64 Å R-free 0.237
2BQ6 Crystal structure of factor Xa in complex with 21 Deposited 2005-04-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 126–177（52 aa） Fragment：DES-GLA LIGHT CHAIN, RESIDUES 126-177
Chain B 220–368（149 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Chain B 369–441（73 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Chain B 442–468（27 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Not recorded CA CALCIUM ION × 1 IIB 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CACL2, PH 5.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0K
Resolution 3.00 Å R-free 0.298
2BQ7 Crystal structure of factor Xa in complex with 43 Deposited 2005-04-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 126–177（52 aa） Fragment：DES-GLA LIGHT CHAIN, RESIDUES 126-177
Chain B 220–368（149 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Chain B 369–441（73 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Chain B 342–468（127 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Not recorded IID N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CACL2, PH 5.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0 K
Resolution 2.20 Å R-free 0.272
2BQW CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND 45 Deposited 2005-04-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 126–177（52 aa） Fragment：DES-GLA LIGHT CHAIN, RESIDUES 126-177
Chain B 220–368（149 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Chain B 369–441（73 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Chain B 442–468（27 aa） Fragment：HEAVY CHAIN, RESIDUES 220-468
Not recorded CA CALCIUM ION × 1 IIE 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；PEG600, MES, CACL2, PH 5.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0 K
Resolution 2.95 Å R-free 0.261
2CJI Crystal structure of a Human Factor Xa inhibitor complex Deposited 2006-04-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–368（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 369–441（73 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 442–488（47 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded CA CALCIUM ION × 1 GSK 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.75；18% PEG 6K, 100MM MES PH5.75, 10MM CACL2
Resolution 2.10 Å R-free 0.242
2D1J Factor Xa in complex with the inhibitor 2-[[4-[(5-chloroindol-2-yl)sulfonyl]piperazin-1-yl] carbonyl]thieno[3,2-b]pyridine n-oxide Deposited 2005-08-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：RESIDUES 16-243
Chain B 125–178（54 aa） Fragment：RESIDUES 85-138
Not recorded CA CALCIUM ION × 2 D01 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SEEDING；pH 5；293 K；pH 5.00, VAPOR DIFFUSION, SEEDING, temperature 293K
Resolution 2.20 Å R-free 0.232
2EI6 FACTOR XA IN COMPLEX WITH THE INHIBITOR (-)-cis-N1-[(5-Chloroindol-2-yl)carbonyl]-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine Deposited 2007-03-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：RESIDUES 16-243
Chain B 125–178（54 aa） Fragment：RESIDUES 85-138
Not recorded CA CALCIUM ION × 2 D92 N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions vapor diffusion, hanging drop, seeding；pH 5；293 K；pH 5.00, vapor diffusion, hanging drop, seeding, temperature 293K
Resolution 2.30 Å R-free 0.262
2EI7 FACTOR XA IN COMPLEX WITH THE INHIBITOR trans-N1-[(5-Chloroindol-2-yl)carbonyl]-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine Deposited 2007-03-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：RESIDUES 16-243
Chain B 125–178（54 aa） Fragment：RESIDUES 85-138
Not recorded CA CALCIUM ION × 2 D93 N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions vapor diffusion, hanging drop, seeding；pH 5；293 K；compound introduced with soaking method at pH 7, pH 5.00, vapor diffusion, hanging drop, seeding, temperature 293K
Resolution 2.30 Å R-free 0.273
2EI8 FACTOR XA IN COMPLEX WITH THE INHIBITOR (1S,2R,4S)-N1-[(5-chloroindol-2-yl)carbonyl]-4-(N,N-dimethylcarbamoyl)-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine Deposited 2007-03-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：RESIDUES 16-243
Chain B 125–178（54 aa） Fragment：RESIDUES 85-138
Not recorded CA CALCIUM ION × 2 DT8 N-((1R,2S,5S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)-5-(DIMETHYLCARBAMOYL)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions vapor diffusion, hanging drop, seeding；pH 5；293 K；soaking method at pH 7, pH 5.00, vapor diffusion, hanging drop, seeding, temperature 293K
Resolution 2.10 Å R-free 0.250
2FZZ Factor Xa in complex with the inhibitor 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-(((3r)-3-hydroxy-1-pyrrolidinyl)methyl)-4-biphenylyl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one Deposited 2006-02-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Coagulation Factor X, Heavy Chain
Chain L 127–178（52 aa） Fragment：Coagulation Factor X, Light Chain
Not recorded 5QC 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN-1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å R-free 0.294
2G00 Factor Xa in complex with the inhibitor 3-(6-(2'-((dimethylamino)methyl)-4-biphenylyl)-7-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl)benzamide Deposited 2006-02-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Coagulation Factor X, Heavy Chain
Chain L 127–178（52 aa） Fragment：Coagulation Factor X, Light Chain
Not recorded 4QC 3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIPHENYL-4-YL}-7-OXO-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-1-YL]BENZAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å R-free 0.284
2GD4 Crystal Structure of the Antithrombin-S195A Factor Xa-Pentasaccharide Complex Deposited 2006-03-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 235–475（241 aa） Fragment：Residues 235-475
Chain L 126–182（57 aa） Fragment：Residues 126-182
Mutation：S195A CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；294 K；20% PEG 3350, 200mM Calcium Acetate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 3.30 Å R-free 0.298
2GD4 Crystal Structure of the Antithrombin-S195A Factor Xa-Pentasaccharide Complex Deposited 2006-03-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 126–182（57 aa） Fragment：Residues 126-182
Chain B 235–475（241 aa） Fragment：Residues 235-475
Mutation：S195A CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；294 K；20% PEG 3350, 200mM Calcium Acetate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 3.30 Å R-free 0.298
2H9E Crystal Structure of FXa/selectide/NAPC2 ternary complex Deposited 2006-06-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 235–467（233 aa） Fragment：catalytic domain
Chain L 86–234（149 aa） Fragment：EGF-like 1 domain
Not recorded PO4 PHOSPHATE ION × 6 ACT ACETATE ION × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；peg 8000, potassium dihydrogen phosphate, acetate ion, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.268
2J2U CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX Deposited 2006-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded GSQ 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-SULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.85；18% PEG6K, 50MM MES PH 5.85, 5MM CACL2, 50MM NACL
Resolution 1.90 Å R-free 0.236
2J34 CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX Deposited 2006-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–368（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 369–441（73 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 442–488（47 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded GS6 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.85；18% PEG6K, 50MM MES PH 5.85, 5MM CACL2, 50MM NACL
Resolution 2.01 Å R-free 0.220
2J38 CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX Deposited 2006-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–368（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 369–441（73 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 442–488（47 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded GS5 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.85；16% PEG6K, 50MM MES PH5.85, 5MM CACL2, 50MM NACL
Resolution 2.10 Å R-free 0.302
2J4I CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX Deposited 2006-08-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded GSJ 1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)- × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.85；18% PEG6K, 50MM MES PH 5.85, 5MM CACL2, 50MM NACL
Resolution 1.80 Å R-free 0.234
2J94 CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX Deposited 2006-11-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–368（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 369–441（73 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 442–488（47 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded G15 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.75；18% PEG6K, 50MM MES PH 5.85, 5MM CACL2, 50MM NACL
Resolution 2.10 Å R-free 0.233
2J95 CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX Deposited 2006-11-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–368（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 369–441（73 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain A 442–488（47 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded GSX 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.85；18% PEG 6K, 100MM MES PH5.75, 10MM CACL2, pH 5.85
Resolution 2.01 Å R-free 0.242
2JKH Factor Xa - cation inhibitor complex Deposited 2008-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：CATALYTIC, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES BI7 3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.25 Å R-free 0.221
2JKH Factor Xa - cation inhibitor complex Deposited 2008-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 235–475（241 aa） Fragment：CATALYTIC, RESIDUES 235-475
Mutation：YES BI7 3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.25 Å R-free 0.221
2JKH Factor Xa - cation inhibitor complex Deposited 2008-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.25 Å R-free 0.221
2P16 Factor Xa in Complex with the Inhibitor APIXABAN (BMS-562247) AKA 1-(4-METHOXYPHENYL)-7-OXO-6-(4-(2-OXO-1-PIPERIDINYL)PHENYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3, 4-C]PYRIDINE-3-CARBOXAMIDE Deposited 2007-03-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Coagulation Factor X, Heavy Chain
Chain L 127–178（52 aa） Fragment：Coagulation Factor X, Light Chain
Not recorded CA CALCIUM ION × 1 GG2 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；277 K；200 mM Sodium Acetate, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K, pH 5.5
Resolution 2.30 Å R-free 0.277
2P3F Crystal structure of the factor Xa/NAP5 complex Deposited 2007-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 235–469（235 aa） Fragment：Activated factor Xa heavy chain domain
Chain L 125–178（54 aa） Fragment：EGF-like 2 domain
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；298 K；Peg400, sodium citrate, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.10 Å R-free 0.280
2P3T Crystal structure of human factor XA complexed with 3-Chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide Deposited 2007-03-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 127–178（52 aa） Fragment：EGF-like 2 domain
Chain B 235–467（233 aa） Fragment：CATALYTIC DOMAIN
Not recorded CA CALCIUM ION × 1 CL CHLORIDE ION × 1 993 3-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4-CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)-6-METHOXY-PHENYL]-AMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；A three-fold excess of the inhibitor was added to the DES-GLA-FACTOR XA. the protein was then concentrated to 12-17 MG/ML. Crystals were grown using 2 UL of complex with 2 UL of reservoir containing 15-21% PEG1500 and 10 MM CACL2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.92 Å R-free 0.219
2P3U Crystal structure of human factor XA complexed with 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide {Pfizer 320663} Deposited 2007-03-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 127–178（52 aa） Fragment：EGF-like 2 domain
Chain B 235–467（233 aa） Fragment：CATALYTIC DOMAIN
Not recorded CA CALCIUM ION × 2 663 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 7.5；295 K；A THREE-FOLD EXCESS OF 3-Chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide WAS ADDED TO THE DES-GLA-FACTOR XA. THE PROTEIN WAS THEN CONCENTRATED TO 12-17 MG/ML. CRYSTALS WERE GROWN USING 2 UL OF COMPLEX WITH 2 UL OF RESERVOIR CONTAINING 15-21% PEG1500 AND 10 MM CACL2. 30-40 UL SITTING DROPS CONTAINING SATURATED INHIBITOR (5 MM) IN 21% PEG1500, 5 MM CACL2, 20 MM NACL, 25 MM TRIS PH 7.5 (CRYSTAL SOAKING SOLUTION) WERE EQUILIBRATED OVER A 1 ML RESERVOIR CONTAINING THE CRYSTAL SOAKING SOLUTION FOR 1 TO 2 DAYS. A SINGLE FACTOR XA CRYSTAL WAS TRANSFERRED USING A MOUNTED CRYOLOOP INTO ONE OF THESE SITTING DROPS AND ALLOWED TO SOAK FOR THREE OR MORE DAYS, EVAPORATION, temperature 295K
Resolution 1.62 Å R-free 0.210
2P93 Factor xa in complex with the inhibitor 5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide Deposited 2007-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Residues 16-243
Chain L 127–178（52 aa） Fragment：Residues 87-138
Not recorded ME1 5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K
Resolution 1.90 Å R-free 0.307
2P94 Factor xa in complex with the inhibitor 3-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclohexyl)-1H-indole-6-carboxamide Deposited 2007-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Residues 16-244
Chain L 127–178（52 aa） Fragment：Residues 87-138
Not recorded ME4 3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-1H-INDOLE-6-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K
Resolution 1.80 Å R-free 0.330
2P95 Factor xa in complex with the inhibitor 5-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido) cyclopentyl)thiophene-2-carboxamide Deposited 2007-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Residues 16-244
Chain L 127–178（52 aa） Fragment：Residues 87-138
Not recorded ME5 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K
Resolution 2.20 Å R-free 0.271
2PHB An Orally Efficacious Factor Xa Inhibitor Deposited 2007-04-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：heavy chain
Chain B 128–178（51 aa） Fragment：light chain
Not recorded CA CALCIUM ION × 1 230 (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.296
2PR3 Factor XA inhibitor Deposited 2007-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：HEAVY CHAIN
Chain B 128–178（51 aa） Fragment：LIGHT CHAIN
Not recorded CA CALCIUM ION × 2 237 (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.50 Å R-free 0.267
2Q1J The discovery of glycine and related amino acid-based factor xa inhibitors Deposited 2007-05-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa）
Chain B 128–178（51 aa） Fragment：Residues 128-178
Not recorded CA CALCIUM ION × 1 FXI 1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.9；25% PEG 600, 0.3 M NACL, 0.1 M MES, PH 5.9, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 294K, pH 5.90
Resolution 1.90 Å R-free 0.272
2RA0 X-ray Structure of FXa in complex with 7-fluoroindazole Deposited 2007-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：heavy chain, UNP residues 235-468
Chain L 128–178（51 aa） Fragment：light chain, UNP residues 128-178
Mutation：L88V JNJ 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1H-indazole-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；295 K；20%Peg 3350, 10mM CaCl2, 0.1M Tris-maleate pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.30 Å R-free 0.314
2UWL Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa Deposited 2007-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded 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 crystallization conditions pH 5.75；18% PEG6K, 50MM HEPES PH5.75, 10MM CACL2, 150MM NACL
Resolution 1.90 Å R-free 0.238
2UWO Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa Deposited 2007-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded 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 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.75；18% PEG6K, 50MM MES PH5.75, 10MM CACL2, 150MM NACL
Resolution 1.75 Å R-free 0.254
2UWP Factor Xa inhibitor complex Deposited 2007-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded 894 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.75；18% PEG6K, 50MM MES PH 5.75, 10MM CACL2, 150MM NACL
Resolution 1.75 Å R-free 0.212
2VH0 Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs Deposited 2007-11-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 GSI 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.85；CRYSTALLISATION WAS CARRIED OUT USING THE HANGING DROP VAPOUR DIFFUSION METHOD IN 2UL DROPS CONTAINING A 1:1 MIXTURE OF PROTEIN AND WELL SOLUTION. WELL SOLUTION CONTAINED 16-20% PEG 6K, 50MM MES-NAOH (PH5.7-6.0), 5MM CACL2 AND 50MM NACL., pH 5.85
Resolution 1.70 Å R-free 0.216
2VH6 Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with biaryl P4 motifs Deposited 2007-11-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded GSV 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.85；CRYSTALLISATION WAS CARRIED OUT USING THE HANGING DROP VAPOUR DIFFUSION METHOD IN 2UL DROPS CONTAINING A 1:1 MIXTURE OF PROTEIN AND WELL SOLUTION. WELL SOLUTION CONTAINED 16-20% PEG 6K, 50MM MES-NAOH (PH5.7-6.0), 5MM CACL2 AND 50MM NACL, pH 5.85
Resolution 1.95 Å R-free 0.242
2VVC Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES LZF 5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.95 Å R-free 0.275
2VVC Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Chain K 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES LZF 5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.95 Å R-free 0.275
2VVC Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Mutation：YES LZF 5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.95 Å R-free 0.275
2VVC Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.95 Å R-free 0.275
2VVC Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Mutation：YES LZF 5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.95 Å R-free 0.275
2VVC Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain K 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.95 Å R-free 0.275
2VVU Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：CATALYTIC, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES H22 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.309
2VVU Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 235–475（241 aa） Fragment：CATALYTIC, RESIDUES 235-475
Mutation：YES H22 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.309
2VVU Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.309
2VVV Aminopyrrolidine-related triazole Factor Xa inhibitor Deposited 2008-06-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：CATALYTIC, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES H21 5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.73 Å R-free 0.251
2VVV Aminopyrrolidine-related triazole Factor Xa inhibitor Deposited 2008-06-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 235–475（241 aa） Fragment：CATALYTIC, RESIDUES 235-475
Mutation：YES H21 5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.73 Å R-free 0.251
2VVV Aminopyrrolidine-related triazole Factor Xa inhibitor Deposited 2008-06-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.73 Å R-free 0.251
2VWL Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES LZH 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.80 Å R-free 0.250
2VWL Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1, RESIDUES 235-475
Mutation：YES LZH 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.80 Å R-free 0.250
2VWL Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.80 Å R-free 0.250
2VWM Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES LZI (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.96 Å R-free 0.273
2VWM Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Chain K 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES LZI (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.96 Å R-free 0.273
2VWM Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Mutation：YES LZI (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.96 Å R-free 0.273
2VWM Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.96 Å R-free 0.273
2VWM Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Mutation：YES LZI (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.96 Å R-free 0.273
2VWM Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain K 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.96 Å R-free 0.273
2VWN Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES H25 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.61 Å R-free 0.228
2VWN Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Mutation：YES H25 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.61 Å R-free 0.228
2VWN Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.61 Å R-free 0.228
2VWO Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Mutation：YES LZG 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE × 1 CA CALCIUM ION × 1 NA SODIUM ION × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.60 Å R-free 0.228
2VWO Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 235–475（241 aa） Fragment：PEPTIDASE S1 DOMAIN, RESIDUES 235-475
Mutation：YES LZG 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE × 1 CA CALCIUM ION × 1 NA SODIUM ION × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.60 Å R-free 0.228
2VWO Aminopyrrolidine Factor Xa inhibitor Deposited 2008-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 126–180（55 aa） Fragment：EGF2, RESIDUES 126-180
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.60 Å R-free 0.228
2W26 Factor Xa in complex with BAY59-7939 Deposited 2008-10-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：RESIDUES 235-468
Chain B 129–177（49 aa） Fragment：RESIDUES 129-177
Not recorded RIV 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.08 Å R-free 0.259
2W3I Crystal Structure of FXa in complex with 4,4-disubstituted pyrrolidine-1,2-dicarboxamide inhibitor 2 Deposited 2008-11-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：HEAVY CHAIN, RESIDUES 235-468
Chain B 128–178（51 aa） Fragment：LIGHT CHAIN, RESIDUES 128-178
Not recorded CA CALCIUM ION × 1 L1C (2R,4S)-N^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N^2^-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å R-free 0.261
2W3K Crystal Structure of FXa in complex with 4,4-disubstituted pyrrolidine-1,2-dicarboxamide inhibitor 1 Deposited 2008-11-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：HEAVY CHAIN, RESIDUES 235-468
Chain B 128–178（51 aa） Fragment：LIGHT CHAIN, RESIDUES 128-178
Not recorded L1D (2R,4S)-N^1^-(4-chlorophenyl)-N^2^-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.05 Å R-free 0.255
2WYG Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs Deposited 2009-11-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded 461 (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.75；CRYSTALLISATION WAS CARRIED OUT USING VAPOUR DIFFUSION IN 2UL DROPS CONTAINING A 1:1 MIXTURE OF PROTEIN AND WELL SOLUTION. WELL SOLUTION CONTAINED 16-20% PEG6K, 50MM MES-NAOH (PH5.5-6), 5MM CACL2 AND 50MM NACL., pH 5.75
Resolution 1.88 Å R-free 0.234
2WYJ Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs Deposited 2009-11-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：ACTIVATED DESGLA, RESIDUES 235-488
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded 898 (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.75；CRYSTALLISATION WAS CARRIED OUT USING HANG DROP VAPOUR DIFFUSION METHODS IN 2UL DROPS CONTAINING 1:1 RATIO PROTEIN AND WELL SOLUTION. WELL SOLUTION CONTAINED 16-20% PEG6K, 50MM MES-NAOH (PH5.5-6), 5MM CACL2 AND 50MM NACL, pH 5.75
Resolution 2.38 Å R-free 0.255
2XBV Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor Deposited 2010-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：HEAVY CHAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：LIGHTCHAIN, RESIDUES 126-180
Mutation：YES XBV (3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PH 6.5
Resolution 1.66 Å R-free 0.224
2XBW Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor Deposited 2010-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：HEAVY CHAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：LIGHT CHAIN, RESIDUES 126-180
Not recorded 455 (3R,4R)-1-SULFAMOYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PH 6.5
Resolution 1.72 Å R-free 0.218
2XBX Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor Deposited 2010-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：HEAVY CHAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：LIGHTCHAIN, RESIDUES 126-180
Not recorded RR8 (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PH 6.5
Resolution 1.85 Å R-free 0.235
2XBY Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor Deposited 2010-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：HEAVY CHAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：LIGHT CHAIN, RESIDUES 126-180
Not recorded 63C (3R,4R)-1-METHYLCARBAMOYLMETHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PH 6.5
Resolution 2.02 Å R-free 0.246
2XC0 Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor Deposited 2010-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：HEAVY CHAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：LIGHTCHAIN, RESIDUES 126-180
Not recorded 8NC (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4--DICARBOXYLIC ACID 3-[(3-FLUORO-4-METHOXY-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PH 6.5
Resolution 2.05 Å R-free 0.240
2XC4 Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor Deposited 2010-04-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：HEAVY CHAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：LIGHT CHAIN, RESIDUES 126-180
Not recorded CA CALCIUM ION × 1 NA SODIUM ION × 1 IVK (3R,4R)-N-(4-CHLOROPHENYL)-N'-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-1-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-3,4-DICARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PH 6.5
Resolution 1.67 Å R-free 0.244
2XC5 Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor Deposited 2010-04-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：HEAVY CHAIN, RESIDUES 235-475
Chain L 126–180（55 aa） Fragment：LIGHTCHAIN, RESIDUES 126-180
Not recorded OYJ (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-3-FLUORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PH 6.5
Resolution 1.70 Å R-free 0.232
2Y5F FACTOR XA - CATION INHIBITOR COMPLEX Deposited 2011-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：RESIDUES 235-468
Chain L 127–180（54 aa） Fragment：RESIDUES 127-180
Mutation：YES XWG (3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,2-OXAZOL-3-YL]-2-[3-[1-(2-HYDROXYETHYL)PYRROLIDIN-1-IUM-1-YL]PROPYL]-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZINE-1,3-DIONE × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.29 Å R-free 0.175
2Y5G FACTOR XA - CATION INHIBITOR COMPLEX Deposited 2011-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：RESIDUES 235-468
Chain L 127–180（54 aa） Fragment：RESIDUES 127-180
Mutation：YES FJD 3-[(3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-2-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.29 Å R-free 0.186
2Y5H FACTOR XA - CATION INHIBITOR COMPLEX Deposited 2011-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：RESIDUES 235-468
Chain L 127–180（54 aa） Fragment：RESIDUES 127-180
Mutation：YES Y5H 3-[(3AS,4R,5S,8AS,8BR)-4-[2-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-4-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.33 Å R-free 0.190
2Y7X The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs Deposited 2011-02-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded MZA 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.75；16-20% PEG 6K, 50 MM MES PH 5.5-6, 5 MM CACL2, 50 MM NACL WITH SEEDING.
Resolution 1.90 Å R-free 0.230
2Y7Z Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs Deposited 2011-02-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded C0Z 6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.75；CRYSTALLISATION WAS CARRIED OUT USING VAPOUR DIFFUSION IN 2UL DROPS CONTAINING A 1:1 MIXTURE OF PROTEIN AND WELL SOLUTION. WELL SOLUTION CONTAINED 16-20% PEG6K, 50MM MES-NAOH (PH 5.5-6), 5MM CACL2 AND 50MM NACL.
Resolution 1.84 Å R-free 0.246
2Y80 Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs Deposited 2011-02-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded 439 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.75；CRYSTALLISATION WAS CARRIED OUT USING VAPOUR DIFFUSION IN 2UL DROPS CONTAINING A 1:1 MIXTURE OF PROTEIN AND WELL SOLUTION. WELL SOLUTION CONTAINED 16-20% PEG 6K, 50 MM MES-NAOH (PH 5.5-6), 5 MM CACL2 AND 50 MM NACL.
Resolution 1.90 Å R-free 0.241
2Y81 Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs Deposited 2011-02-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded 931 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.75；CRYSTALLISATION WAS CARRIED OUT USING VAPOUR DIFFUSION IN 2UL DROPS CONTAINING A 1:1 MIXTURE OF PROTEIN AND WELL SOLUTION. WELL SOLUTION CONTAINED 16-20% PEG 6K, 50 MM MES-NAOH (PH 5.5-6), 5 MM CACL2 AND 50 MM NACL.
Resolution 1.70 Å R-free 0.225
2Y82 Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs Deposited 2011-02-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：ACTIVATED DESGLA, RESIDUES 46-179
Not recorded 930 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.75；CRYSTALLISATION WAS CARRIED OUT USING VAPOUR DIFFUSION IN 2UL DROPS CONTAINING A 1:1 MIXTURE OF PROTEIN AND WELL SOLUTION. WELL SOLUTION CONTAINED 16-20% PEG 6K, 50 MM MES-NAOH (PH 5.5-6), 5 MM CACL2 AND 50 MM NACL.
Resolution 2.20 Å R-free 0.233
3CEN Factor XA in complex with the inhibitor N-(2-(((5-chloro-2-pyridinyl) amino)sulfonyl)phenyl)-4-(2-oxo-1(2H)-pyridinyl)benzamide Deposited 2008-02-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Activated factor Xa heavy chain, UNP residues 235-468
Chain L 127–178（52 aa） Fragment：UNP residues 127-178
Not recorded FXA N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K
Resolution 1.60 Å R-free 0.294
3CS7 FACTOR XA IN COMPLEX WITH THE INHIBITOR 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one Deposited 2008-04-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Coagulation Factor X, Heavy Chain
Chain L 127–178（52 aa） Fragment：Coagulation Factor X, Light Chain
Not recorded CA CALCIUM ION × 1 LG0 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K, pH 5.50
Resolution 2.20 Å R-free 0.274
3ENS Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate Deposited 2008-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 85–178（94 aa） Fragment：sequence database residues 93-178
Chain B 235–472（238 aa） Fragment：sequence database residues 235-472
Not recorded GOL GLYCEROL × 4 ENS methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；298 K；15-22% W/V PEG MME 5000, 0.01 M CALCIUM ACETATE, 0.35 M SODIUM ACETATE, 0.1 M LITHIUM SULFATE, 0.1 M MES, pH 6.500000, VAPOR DIFFUSION HANGING DROP, temperature 298K, VAPOR DIFFUSION, HANGING DROP
Resolution 2.30 Å R-free 0.286
3ENS Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate Deposited 2008-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 85–178（94 aa） Fragment：sequence database residues 93-178
Chain D 235–472（238 aa） Fragment：sequence database residues 235-472
Not recorded GOL GLYCEROL × 3 ENS methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；298 K；15-22% W/V PEG MME 5000, 0.01 M CALCIUM ACETATE, 0.35 M SODIUM ACETATE, 0.1 M LITHIUM SULFATE, 0.1 M MES, pH 6.500000, VAPOR DIFFUSION HANGING DROP, temperature 298K, VAPOR DIFFUSION, HANGING DROP
Resolution 2.30 Å R-free 0.286
3FFG Factor XA in complex with the inhibitor (R)-6-(2'-((3- HYDROXYPYRROLIDIN-1-YL)METHYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN- 7(4H)-ONE Deposited 2008-12-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：sequence database residues 235-468
Chain L 127–178（52 aa） Fragment：sequence database residues 127-178
Not recorded FFG (R)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K
Resolution 1.54 Å R-free 0.240
3HPT Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine Deposited 2009-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 85–178（94 aa） Fragment：Factor X light chain: UNP residues 85-178
Chain B 235–472（238 aa） Fragment：Activated factor Xa heavy chain: UNP residues 235-472
Not recorded GOL GLYCEROL × 3 YET 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 ACT ACETATE ION × 4 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；15-22% w/v PEG MME 5000, 0.01 M Calcium acetate, 0.35 M Sodium acetate, 0.1 M Lithium sulfate, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.19 Å R-free 0.239
3HPT Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine Deposited 2009-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 85–178（94 aa） Fragment：Factor X light chain: UNP residues 85-178
Chain D 235–472（238 aa） Fragment：Activated factor Xa heavy chain: UNP residues 235-472
Not recorded GOL GLYCEROL × 2 YET 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 ACT ACETATE ION × 4 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；15-22% w/v PEG MME 5000, 0.01 M Calcium acetate, 0.35 M Sodium acetate, 0.1 M Lithium sulfate, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.19 Å R-free 0.239
3IIT Factor XA in complex with a cis-1,2-diaminocyclohexane derivative Deposited 2009-08-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa）
Chain B 125–178（54 aa） Fragment：UNP RESIDUES 125-178
Not recorded CA CALCIUM ION × 2 D14 7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5；293 K；pH 5.00, VAPOR DIFFUSION, temperature 293K
Resolution 1.80 Å R-free 0.233
3K9X X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE Deposited 2009-10-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 85–178（94 aa） Fragment：EGF-LIKE DOMAINS (UNP residues 85 to 178)
Chain B 235–472（238 aa） Fragment：CATALYTIC DOMAINS (UNP residues 235 to 472)
Not recorded GOL GLYCEROL × 5 MBM N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；15-22% W/V PEG MME 5000, 0.01 M CALCIUM ACETATE, 0.35 M SODIUM ACETATE, 0.1 M LITHIUM SULFATE, 0.1 M MES, pH 6.0, VAPOR DIFFUSION HANGING DROP, temperature 298K
Resolution 1.90 Å R-free 0.240
3K9X X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE Deposited 2009-10-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 85–178（94 aa） Fragment：EGF-LIKE DOMAINS (UNP residues 85 to 178)
Chain D 235–472（238 aa） Fragment：CATALYTIC DOMAINS (UNP residues 235 to 472)
Not recorded GOL GLYCEROL × 1 MBM N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；15-22% W/V PEG MME 5000, 0.01 M CALCIUM ACETATE, 0.35 M SODIUM ACETATE, 0.1 M LITHIUM SULFATE, 0.1 M MES, pH 6.0, VAPOR DIFFUSION HANGING DROP, temperature 298K
Resolution 1.90 Å R-free 0.240
3KL6 Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor Deposited 2009-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–475（241 aa） Fragment：Factor X heavy chain residues 235-475
Chain B 126–179（54 aa） Fragment：Factor X light chain residues 126-179
Not recorded 443 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one × 1 EDO 1,2-ETHANEDIOL × 4 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；25.% .PEG 3350, 0.1M .tris pH 8.5 , VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.45 Å R-free 0.212
3KQB Factor xa in complex with the inhibitor n-(3-fluoro-2'- (methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h- 1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-1h- pyrazole-5-carboxamide Deposited 2009-11-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：residues 235-468 of factor X uncleaved sequence
Chain L 127–178（52 aa） Fragment：residues 127-178 of factor X uncleaved sequence
Not recorded LGJ N-(3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM NaOAc (pH 5.5), 18% PEG 6000, pH 5.500000, vapor diffusion, hanging drop, temperature 277K, VAPOR DIFFUSION, HANGING DROP
Resolution 2.25 Å R-free 0.221
3KQC Factor xa in complex with the inhibitor 6-(2'- (methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h- 1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6- dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one Deposited 2009-11-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：residues 235-468 of factor X uncleaved sequence
Chain L 127–178（52 aa） Fragment：residues 127-178 of factor X uncleaved sequence
Not recorded LGK 6-(2'-(METHYLSULFONYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM NaOAc (pH 5.5), 18% PEG 6000, pH 5.500000, vapor diffusion, hanging drop, temperature 277K, VAPOR DIFFUSION, HANGING DROP
Resolution 2.20 Å R-free 0.224
3KQD Factor xa in complex with the inhibitor 1-(3-(5-oxo-4,5- dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1- ylmethyl)biphenyl-4-yl)-3-(trifluoromethyl)-5,6-dihydro- 1h-pyrazolo[3,4-c]pyridin-7(4h)-one Deposited 2009-11-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：residues 235-468 of factor X uncleaved sequence
Chain L 127–178（52 aa） Fragment：residues 127-178 of factor X uncleaved sequence
Not recorded LGL 1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM NaOAc (pH 5.5), 18% PEG 6000, pH 5.500000, vapor diffusion, hanging drop, temperature 277K, VAPOR DIFFUSION, HANGING DROP
Resolution 2.75 Å R-free 0.254
3KQE Factor xa in complex with the inhibitor 3-methyl-1-(3-(5- oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'- (pyrrolidin-1-ylmethyl)biphenyl-4-yl)-5,6-dihydro-1h- pyrazolo[3,4-c]pyridin-7(4h)-one Deposited 2009-11-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：residues 235-468 of factor X uncleaved sequence
Chain L 127–178（52 aa） Fragment：residues 127-178 of factor X uncleaved sequence
Not recorded LGM 3-METHYL-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM NaOAc (pH 5.5), 18% PEG 6000, pH 5.500000, vapor diffusion, hanging drop, temperature 277K, VAPOR DIFFUSION, HANGING DROP
Resolution 2.35 Å R-free 0.230
3LIW Factor XA in complex with (R)-2-(1-ADAMANTYLCARBAMOYLAMINO)-3-(3-CARBAMIDOYL-PHENYL)-N-PHENETHYL-PROPIONIC ACID AMIDE Deposited 2010-01-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：UNP RESIDUES 235-468
Chain B 128–178（51 aa） Fragment：UNP RESIDUES 128-178
Not recorded CA CALCIUM ION × 2 RUP (R)-2-(3-ADAMANTAN-1-YL-UREIDO)-3-(3-CARBAMIMIDOYL-PHENYL)-N-PHENETHYL-PROPIONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.8；298 K；CACL2, PEG 6000, MES, PH 5.8, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0K
Resolution 2.22 Å R-free 0.266
3M36 Factor XA in complex with the inhibitor 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423) Deposited 2010-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Peptidase S1
Chain L 127–178（52 aa） Fragment：UNP residues 127-178
Not recorded M35 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K
Resolution 2.15 Å R-free 0.264
3M37 Factor XA in complex with the inhibitor 1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC602) Deposited 2010-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa） Fragment：Peptidase S1
Chain L 127–178（52 aa） Fragment：UNP residues 127-178
Not recorded M37 1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K
Resolution 1.90 Å R-free 0.262
3Q3K Factor Xa in complex with a phenylenediamine derivative Deposited 2010-12-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：UNP RESIDUES 235-467
Chain B 125–178（54 aa） Fragment：UNP RESIDUES 125-178
Not recorded CA CALCIUM ION × 2 D90 N-(2-{[(5-chloro-1H-indol-2-yl)carbonyl]amino}phenyl)-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；macro-seeding, soak at pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.00 Å R-free 0.216
3SW2 X-ray crystal structure of human FXA in complex with 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide Deposited 2011-07-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 85–178（94 aa） Fragment：Factor X light chain (UNP residues 85-178)
Chain B 235–472（238 aa） Fragment：Activated factor Xa heavy chain (UNP residues 235-472)
Not recorded FI1 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide × 1 NA SODIUM ION × 1 CA CALCIUM ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；15-22% w/v PEG5000 MME, 0.01 M calcium acetate, 0.35 M sodium acetate, 0.1 M lithium sulfate, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.42 Å R-free 0.262
3TK5 Factor Xa in complex with D102-4380 Deposited 2011-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：UNP RESIDUES 235-467
Chain B 125–178（54 aa） Fragment：UNP RESIDUES 125-178
Not recorded CA CALCIUM ION × 2 D1Q 4-{3-[(4-chlorophenyl)amino]-3-oxopropyl}-3-({[5-(propan-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.253
3TK6 factor Xa in complex with D46-5241 Deposited 2011-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–467（233 aa） Fragment：UNP RESIDUES 235-467
Chain B 125–178（54 aa） Fragment：UNP RESIDUES 125-178
Not recorded CA CALCIUM ION × 2 D46 N-[2-({[(5-chlorothiophen-2-yl)carbonyl]amino}methyl)phenyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.241
4A7I Factor Xa in complex with a potent 2-amino-ethane sulfonamide inhibitor Deposited 2011-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 84–179（96 aa） Fragment：DES-GLA FACTOR X LIGHT CHAIN, RESIDUES 84-179
Chain B 235–488（254 aa） Fragment：ACTIVATED FACTOR X HEAVY CHAIN, RESIDUES 235-488
Not recorded CA CALCIUM ION × 1 A7I 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.7；PROTEIN SOLUTION: 8 MG/ML PROTEIN, 5 MM MES (PH 5.7), 5 MM CACL2, 100 MM BENZAMIDINE. RESERVOIR: 18-20% PEG-600, 50 MM MES (PH 5.7). SOAKING: ADD 10 MM INHIBITOR.
Resolution 2.40 Å R-free 0.253
4BTI factor Xa in complex with the dual thrombin-FXa inhibitor 58. Deposited 2013-06-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 84–179（96 aa）
Chain F 235–488（254 aa）
Not recorded CA CALCIUM ION × 1 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；PROTEIN SOLUTION: 8 MG/ML DESGLA FACTOR XA, 5 MM MES (PH 6.0), 5 MM CACL2, 100 MM BENZAMIDINE. RESERVOIR SOLUTION: 18-20% PEG600, 50 MM MES (PH 5.7). HANGING DROP SETUP.
Resolution 2.30 Å R-free 0.224
4BTI factor Xa in complex with the dual thrombin-FXa inhibitor 58. Deposited 2013-06-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 84–179（96 aa）
Chain B 235–488（254 aa）
Not recorded CA CALCIUM ION × 1 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；PROTEIN SOLUTION: 8 MG/ML DESGLA FACTOR XA, 5 MM MES (PH 6.0), 5 MM CACL2, 100 MM BENZAMIDINE. RESERVOIR SOLUTION: 18-20% PEG600, 50 MM MES (PH 5.7). HANGING DROP SETUP.
Resolution 2.30 Å R-free 0.224
4BTT factor Xa in complex with the dual thrombin-FXa inhibitor 31. Deposited 2013-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 84–179（96 aa） Fragment：LIGHT CHAIN, RESIDUES 84-179
Chain F 235–488（254 aa） Fragment：HEAVY CHAIN, RESIDUES 235-488
Not recorded CA CALCIUM ION × 1 VYR N-[(S)-1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；PROTEIN SOLUTION: 8 MG/ML DESGLA FACTOR XA, 5 MM MES (PH 6.0), 5 MM CACL2, 100 MM BENZAMIDINE. RESERVOIR SOLUTION: 18-20% PEG600, 50 MM MES (PH 5.7). HANGING DROP SETUP.
Resolution 2.59 Å R-free 0.236
4BTT factor Xa in complex with the dual thrombin-FXa inhibitor 31. Deposited 2013-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 84–179（96 aa） Fragment：LIGHT CHAIN, RESIDUES 84-179
Chain B 235–488（254 aa） Fragment：HEAVY CHAIN, RESIDUES 235-488
Not recorded CA CALCIUM ION × 1 VYR N-[(S)-1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；PROTEIN SOLUTION: 8 MG/ML DESGLA FACTOR XA, 5 MM MES (PH 6.0), 5 MM CACL2, 100 MM BENZAMIDINE. RESERVOIR SOLUTION: 18-20% PEG600, 50 MM MES (PH 5.7). HANGING DROP SETUP.
Resolution 2.59 Å R-free 0.236
4BTU Factor Xa in complex with the dual thrombin-FXa inhibitor 57. Deposited 2013-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 84–179（96 aa） Fragment：LIGHT CHAIN, RESIDUES 84-179
Chain B 235–488（254 aa） Fragment：HEAVY CHAIN, RESIDUES 235-488
Not recorded CA CALCIUM ION × 1 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；PROTEIN SOLUTION: 8 MG/ML REMARK 280 DESGLA FACTOR XA, 5 MM MES (PH 6.0), 5 MM CACL2, 100 MM REMARK 280 BENZAMIDINE. RESERVOIR SOLUTION: 18-20% PEG600, 50 MM MES REMARK 280 (PH 5.7). HANGING DROP SETUP.
Resolution 2.37 Å R-free 0.248
4BTU Factor Xa in complex with the dual thrombin-FXa inhibitor 57. Deposited 2013-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 84–179（96 aa） Fragment：LIGHT CHAIN, RESIDUES 84-179
Chain F 235–488（254 aa） Fragment：HEAVY CHAIN, RESIDUES 235-488
Not recorded CA CALCIUM ION × 1 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；PROTEIN SOLUTION: 8 MG/ML REMARK 280 DESGLA FACTOR XA, 5 MM MES (PH 6.0), 5 MM CACL2, 100 MM REMARK 280 BENZAMIDINE. RESERVOIR SOLUTION: 18-20% PEG600, 50 MM MES REMARK 280 (PH 5.7). HANGING DROP SETUP.
Resolution 2.37 Å R-free 0.248
4Y6D Factor Xa complex with GTC000101 Deposited 2015-02-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：FACTOR X LIGHT CHAIN, UNP residues 46-179
Not recorded 48U 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；16-20% PEG 6K, 50mM Mes-NaOH pH 5.7-6.0, 5 mM CaCl2, and 50 mM NaCl
Resolution 1.55 Å R-free 0.233
4Y71 Factor Xa complex with GTC000398 Deposited 2015-02-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：UNP residues 46-179
Not recorded CA CALCIUM ION × 1 48W 6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；16 - 20 % PEG 6000, 50 mM MES-NaOH (pH 5.7-6.0), 5 mM calcium chloride, 50 mM sodium chloride
Resolution 1.80 Å R-free 0.240
4Y76 Factor Xa complex with GTC000401 Deposited 2015-02-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：UNP residues 46-179
Not recorded CA CALCIUM ION × 1 4O1 N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.75；293 K；18% PEG 6000, 100 mm MES PH 5.75, 10 mm calcium chloride
Resolution 2.00 Å R-free 0.236
4Y79 Factor Xa complex with GTC000406 Deposited 2015-02-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：UNP residues 46-179
Not recorded CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 4O6 (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.75；293 K；18% PEG 6000, 100 mM MES PH5.75, 10 mM calcium chloride
Resolution 2.10 Å R-free 0.216
4Y7A Factor Xa complex with GTC000422 Deposited 2015-02-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：UNP residues 46-179
Not recorded CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 987 N-[(3S)-1-{(2S)-1-[(3S)-3-aminopiperidin-1-yl]-1-oxopropan-2-yl}-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamid e × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；18% PEG 6000, 100 mM MES PH 5.75, 10 mM calcium chloride
Resolution 1.99 Å R-free 0.236
4Y7B Factor Xa complex with GTC000441 Deposited 2015-02-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa）
Chain B 46–179（134 aa） Fragment：UNP residues 46-179
Not recorded CA CALCIUM ION × 1 44I 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.75；293 K；18% PEG 6000, 100 mM MES PH 5.75, 10 mM calcium chloride
Resolution 1.79 Å R-free 0.212
4ZH8 Factor Xa complex with GTC000006 Deposited 2015-04-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：residues 235 - 488
Chain B 46–179（134 aa） Fragment：residues 43-179
Not recorded CA CALCIUM ION × 1 4O4 6-chloro-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxo-2,3-dihydro-1H-pyrrol-3-yl}-N-(2-oxobutyl)naphthalene-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；16-20% PEG 6K, 50 mM Mes=NaOH pH 5.7-6.0, 5 mM CaCl2 and 50 mM NaCl
Resolution 1.80 Å R-free 0.255
4ZHA Factor Xa complex with GTC000102 Deposited 2015-04-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–488（254 aa） Fragment：residues 235-488
Chain B 46–179（134 aa） Fragment：residues 46-179
Not recorded CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 4O5 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]-3-fluoro-N-methylbenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；16-20% PEG 6K, 50 mM Mes-NaOH (pH 5.7-6.0), 5 mM CaCl2, and 50 mM NaCl
Resolution 1.86 Å R-free 0.238
5JQY Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine and factor X substrate peptide fragment(39mer-4Ser) Deposited 2016-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa） Fragment：UNP residues 86-124
Not recorded MN MANGANESE (II) ION × 1 OGA N-OXALYLGLYCINE × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；100mM SPG buffer, 25% PEG 1500, 2mM NOG, 1mM MnCl2, 18mg/ml protein
Resolution 1.99 Å R-free 0.205
5JTC Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, 2,4-pyridine dicarboxylate and factor X substrate peptide fragment(39mer-4Ser) Deposited 2016-05-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa） Fragment：UNP Residues 86-124
Not recorded MN MANGANESE (II) ION × 1 PD2 PYRIDINE-2,4-DICARBOXYLIC ACID × 1 BR BROMIDE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；20% PEG3350, 200mM NaBr, 100mM BisTris Propane, 1mM MnCl2, 2mM 2,4-PDCA, 330uM ASPH, 726uM Factor X
Resolution 2.24 Å R-free 0.208
5JZ8 Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine, and factor X substrate peptide fragment (39mer) Deposited 2016-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded MN MANGANESE (II) ION × 1 OGA N-OXALYLGLYCINE × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；100 mM Bis-tris propane, 200mM sodium acetate, 20% PEG 3350, 1 mM manganese chloride, 2 mM N-oxalylglycine, 726 uM FX peptide, 18 mg/ml protein
Resolution 2.10 Å R-free 0.216
5JZU Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine and factor X substrate peptide fragment (26mer) Deposited 2016-05-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–111（26 aa）
Not recorded MN MANGANESE (II) ION × 1 OGA N-OXALYLGLYCINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；100 mM Bis-tris propane, 20 mM sodium/potassium phosphate, 20% PEG 3350, 1 mM manganese chloride, 2 mM N-oxalylglycine, 1.65 mM factor X peptide, 18 mg/ml asph protein
Resolution 2.50 Å R-free 0.229
5K0H Human factor Xa in complex with synthetic inhibitor benzylsulfonyl-dSer(Benzyl)-Gly-4-amidinobenzylamide Deposited 2016-05-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa）
Chain B 128–178（51 aa）
Not recorded CA CALCIUM ION × 2 6PK O-benzyl-N-(benzylsulfonyl)-D-seryl-N-[(4-carbamimidoylphenyl)methyl]glycinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM MES, 12-18 % PEG6000, 5 mM CaCl2
Resolution 2.20 Å R-free 0.261
5VOE DesGla-XaS195A Bound to Aptamer 11F7t Deposited 2017-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–RNA Homooligomer；Protein × 2 PDB declaration: trimeric
Chain H 235–467（233 aa） Fragment：residues 235-467
Chain L 128–178（51 aa） Fragment：residues 128-178
Mutation：S419A NA SODIUM ION × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Bicine, 0.1 M Tris base, 0.1 M Carboxylic Acids, 10% PEG 20,000, 20% PEG 500 monomethyl ester
Resolution 2.00 Å R-free 0.248
5VOF DesGla-XaS195A Bound to Aptamer 11F7t and Rivaroxaban Deposited 2017-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–RNA Homooligomer；Protein × 2 PDB declaration: trimeric
Chain H 235–467（233 aa） Fragment：residue 235-467
Chain L 128–178（51 aa） Fragment：residues 128-178
Mutation：S419A RIV 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide × 1 NA SODIUM ION × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Bicine, 0.1 M Tris base, 0.1 M Carboxylic acids, 10% PEG 20,000, 20% PEG 500 MME
Resolution 2.25 Å R-free 0.253
6Q9F Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Mn, NOG and Factor X peptide fragment (39mer-4Ser) Deposited 2018-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S MN MANGANESE (II) ION × 1 OGA N-OXALYLGLYCINE × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；0.2 M sodium chloride 0.1 M Tris-HCl 8.0 20 % w/v PEG 6000
Resolution 1.63 Å R-free 0.200
6Q9I Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Factor X peptide fragment (39mer-4Ser) Deposited 2018-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S FMT FORMIC ACID × 3 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M sodium formate, 20 % w/v PEG 3350
Resolution 1.85 Å R-free 0.223
6YYW Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) Deposited 2020-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded MN MANGANESE (II) ION × 1 AKG 2-OXOGLUTARIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；100 mM Bis Tris Propane, 200 mM sodium acetate trihydrate, 20% w/v PEG 3350, 1 mM manganese chloride, 2 mM 2-oxoglutarate, 18 mg/ml protein
Resolution 2.27 Å R-free 0.224
6YYX Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-methyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) Deposited 2020-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded MN MANGANESE (II) ION × 1 Q1Z (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；200 mM Bis Tris Propane, 200 mM sodium/potassium phosphate, 20% w/v PEG 3350, 1 mM manganese chloride, 2 mM 3-methyl-2-oxoglutarate, 18 mg/ml protein
Resolution 1.53 Å R-free 0.192
6YYY Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 4,4-dimethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) Deposited 2020-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded MN MANGANESE (II) ION × 1 Q1W 2,2-dimethyl-4-oxidanylidene-pentanedioic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；200 mM sodium bromide, 20% w/v PEG 3350, 1 mM manganese chloride, 2 mM 4,4-dimethyl-2-oxoglutarate, 18 mg/ml protein
Resolution 2.29 Å R-free 0.244
6Z6Q Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-ethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) Deposited 2020-05-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded GOL GLYCEROL × 1 MN MANGANESE (II) ION × 1 QA8 (3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；100 mM HEPES sodium, 200 mM ammonium chloride, 20% w/v PEG 6000, 1 mM manganese chloride, 2 mM 3-ethyl-2-oxoglutarate, 18 mg/ml protein
Resolution 1.81 Å R-free 0.232
6Z6R Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, N-oxalyl-alpha-methylalanine, and factor X substrate peptide fragment(39mer-4Ser) Deposited 2020-05-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded MN MANGANESE (II) ION × 1 BR BROMIDE ION × 1 GOL GLYCEROL × 1 UQK N-oxalyl-alpha-methylalanine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；100 mM Bis Tris propane, 200 mM sodium bromide, 20% w/v PEG 3350, 1 mM manganese chloride, 2 mM N-oxalyl-alpha-methylalanine, 18 mg/ml protein
Resolution 2.13 Å R-free 0.242
7AHU Anti-FX Fab of mim8 in complex with human FXa Deposited 2020-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 235–475（241 aa）
Chain D 126–182（57 aa）
Not recorded 0GJ L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.2 M sodium acetate, 0.1 M sodium cacodylate, pH 6.5, 18 % (w/v) PEG 8000
Resolution 2.60 Å R-free 0.263
7AHU Anti-FX Fab of mim8 in complex with human FXa Deposited 2020-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 235–475（241 aa）
Chain F 126–182（57 aa）
Not recorded 0GJ L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.2 M sodium acetate, 0.1 M sodium cacodylate, pH 6.5, 18 % (w/v) PEG 8000
Resolution 2.60 Å R-free 0.263
7BMI Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser) Deposited 2021-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded MN MANGANESE (II) ION × 1 U4B 3-fluoranylpyridine-2,4-dicarboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；100 mM HEPES sodium, 200 mM ammonium chloride, 20% w/v PEG 4000, 1 mM manganese chloride, 2 mM 2-oxoglutarate, 18 mg/ml protein
Resolution 1.66 Å R-free 0.220
7BMJ Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 5-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser) Deposited 2021-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded MN MANGANESE (II) ION × 1 U4Q 5-fluoranylpyridine-2,4-dicarboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；200 mM sodium nitrate, 20% w/v PEG 3350, 1 mM manganese chloride, 18 mg/ml protein
Resolution 1.75 Å R-free 0.251
7E6J Aspartyl/Asparaginyl beta-hydroxylase (AspH) H725A in complex with Factor X peptide fragment (39mer-4Ser) Deposited 2021-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S,C95S,C112S,C121S GOL GLYCEROL × 3 PPI PROPANOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；100mM PCTP, 25% w/v PEG 1500
Resolution 1.90 Å R-free 0.213
7TPP Cryo-em structure of human prothrombin:prothrombinase at 4.1 Angstrom resolution Deposited 2022-01-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 41–179（139 aa） Fragment：UNP residues 41-179
Chain B 235–488（254 aa） Fragment：UNP residues 235-488
Mutation：S379A No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；20mM Hepes, 150mM NaCl, 5mM CaCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.10 Å
7YB9 Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with L-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser) Deposited 2022-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S MN MANGANESE (II) ION × 1 S2G (2S)-2-HYDROXYPENTANEDIOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M lithium chloride, 20 % w/v Polyethylene glycol 6,000, 0.1 M Bis-Tris propane
Resolution 1.54 Å R-free 0.215
7YBB Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate and factor X-derived peptide (39mer-4Ser) Deposited 2022-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Not recorded MN MANGANESE (II) ION × 1 IO9 (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.02 M Sodium/potassium phosphate, 20 % w/v Polyethylene glycol 3,350, 0.1 M Bis-Tris propane
Resolution 1.68 Å R-free 0.219
7YBC Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with (S)-4-hydroxy-4-methyl-2-oxoglutarate and factor X-derived peptide (39mer-4Ser) Deposited 2022-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S MN MANGANESE (II) ION × 1 GOL GLYCEROL × 1 IOW (2~{S})-2-methyl-2-oxidanyl-4-oxidanylidene-pentanedioic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.2 M Sodium acetate trihydrate, 20 % w/v Polyethylene glycol 3,350, 0.1 M Bis Tris propane
Resolution 1.84 Å R-free 0.199
8EOK Structure of the C3bB proconvertase in complex with lufaxin and factor Xa Deposited 2022-10-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: hexameric
Chain C 235–488（254 aa）
Chain L 46–179（134 aa）
Not recorded MG MAGNESIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.53 Å
8RE5 Aspartyl/Asparaginyl beta-hydroxylase (AspH) R735Q variant in complex with Mn, 2-oxosuberate and a Factor X derived peptide fragment Deposited 2023-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S YQX 2-oxidanylideneoctanedioic acid × 2 MN MANGANESE (II) ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M bis tris propane pH 7.5, 0.2 M NaBr, 20% PEG 3350
Resolution 1.70 Å R-free 0.207
8RE6 Aspartyl/Asparaginyl beta-hydroxylase (AspH) R735Q variant in complex with Mn, 2-oxoglutarate and a Factor X derived peptide fragment Deposited 2023-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S MN MANGANESE (II) ION × 1 AKG 2-OXOGLUTARIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES pH 7.5, 0.2 M NaCl, 20% PEG 3350
Resolution 1.92 Å R-free 0.216
8RE7 Aspartyl/Asparaginyl beta-hydroxylase (AspH) R735W variant in complex with Mn, 2-oxoglutarate and a Factor X derived peptide fragment Deposited 2023-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S AKG 2-OXOGLUTARIC ACID × 1 MN MANGANESE (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES pH 7.5, 0.2 M NaCl, 20% PEG 3350
Resolution 1.95 Å R-free 0.242
8RE8 Aspartyl/Asparaginyl beta-hydroxylase (AspH) R688Q variant in complex with Mn, (3R)-methyl-2-oxoglutarate and a Factor X derived peptide fragment Deposited 2023-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S Q1Z (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid × 1 PEG DI(HYDROXYETHYL)ETHER × 5 MN MANGANESE (II) ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES pH 7.5, 0.2 M NaCl, 20% PEG 3350
Resolution 1.85 Å R-free 0.208
8RE9 Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Mn, 2-oxoglutarate and a Factor X derived peptide fragment Deposited 2023-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S AKG 2-OXOGLUTARIC ACID × 1 MN MANGANESE (II) ION × 1 PEG DI(HYDROXYETHYL)ETHER × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES pH 7.5 20 % v/v PEG Smear High (BCS screen)
Resolution 1.84 Å R-free 0.196
9BVL Vitamin K-dependent gamma-carboxylase with factor X propeptide and glutamate-rich region and with vitamin K hydroquinone Deposited 2024-05-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain P 22–85（64 aa） Fragment：residues 22-85
Not recorded A1AVC vitamin K1 hydroquinone × 1 6PL (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
9CLI Cryo-EM model derived from localized reconstruction of human adenovirus (Ad5)-hexon-FX complex at 3.6A resolution Deposited 2024-07-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain Z 1–488（488 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 7 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.61 Å
9CM2 Cryo-EM model derived from localized reconstruction of human adenovirus 6-hexon-FX complex at 4.3A resolution Deposited 2024-07-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain Z 1–488（488 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 5.01 Å
9CTH Preliminary map of the Prothrombin-prothrombinase complex on nano discs Deposited 2024-07-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 41–182（142 aa）
Chain C 235–469（235 aa）
Mutation：S195A NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；20 mM HEPES, 150 mM NaCl, and 5 mM CaCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 6.47 Å
9FVU Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate, thiocyanate and Factor X derived peptide fragment Deposited 2024-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S AKG 2-OXOGLUTARIC ACID × 1 FE FE (III) ION × 1 PEG DI(HYDROXYETHYL)ETHER × 8 SCN THIOCYANATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；278 K；0.1 M bis tris propane pH 7.5, 0.2 M NaSCN, 20% PEG 3350
Resolution 1.70 Å R-free 0.187
9FVV Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Mn, 2OG, thiocyanate and Factor X peptide fragment (39mer-4Ser) Deposited 2024-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S AKG 2-OXOGLUTARIC ACID × 1 ACT ACETATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 1 MN MANGANESE (II) ION × 1 SCN THIOCYANATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；278 K；0.1 M bis tris propane pH 7.5, 0.2 M NaSCN, 20% PEG 3350
Resolution 1.60 Å R-free 0.191
9FVW Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2OG, SIN and hydroxylated product of Factor X peptide fragment (39mer-4Ser) Deposited 2024-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S Non-standard monomer：Yes (specific site not provided by mmCIF) SIN SUCCINIC ACID × 1 AKG 2-OXOGLUTARIC ACID × 1 FE FE (III) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；278 K；0.1 M bis tris propane pH 7.5, 0.2 M NaBr, 20% PEG 3350
Resolution 1.90 Å R-free 0.224
9FVX Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate and Factor X derived peptide fragment Deposited 2024-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S AKG 2-OXOGLUTARIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 7 CL CHLORIDE ION × 2 FE FE (III) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；278 K；0.1 M bis tris propane pH 7.5, 0.2 M NaBr, 20% PEG 3350
Resolution 1.90 Å R-free 0.212
9FVY Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate, succinate and the hudroxylated product of Factor X derived peptide fragment after O2 exposure Deposited 2024-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S Non-standard monomer：Yes (specific site not provided by mmCIF) AKG 2-OXOGLUTARIC ACID × 1 SIN SUCCINIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 2 FE FE (III) ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；278 K；0.1 M bis tris propane pH 7.5, 0.2 M NaBr, 20% PEG 3350
Resolution 1.90 Å R-free 0.199
9FVZ Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate and a Factor X derived peptide fragment Deposited 2024-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S AKG 2-OXOGLUTARIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 6 GOL GLYCEROL × 1 FE FE (III) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；278 K；0.1 M bis tris propane pH 7.5, 0.2 M NaBr, 20% PEG 3350
Resolution 1.98 Å R-free 0.213
9FW0 Room temperature structure of Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate and Factor X derived peptide fragment Deposited 2024-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S AKG 2-OXOGLUTARIC ACID × 1 FE FE (III) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.5；278 K；16% PEG 3350, 0.1 M Bis Tris propane pH 7.5, 0.1 M KSCN
Resolution 1.95 Å R-free 0.207
9HNZ Room temperature structure of Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate and hydroxylated Factor X derived peptide fragment, 2 h O2 exposure Deposited 2024-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S Non-standard monomer：Yes (specific site not provided by mmCIF) SIN SUCCINIC ACID × 1 FE FE (III) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.5；278 K；16% PEG3350, 0.1 M bis tris propane pH 7.5, 0.1 M KSCN
Resolution 2.40 Å R-free 0.237
9HO0 Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate, succinate and the hydroxylated product of Factor X derived peptide fragment, 12 h O2 exposure Deposited 2024-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S Non-standard monomer：Yes (specific site not provided by mmCIF) SIN SUCCINIC ACID × 1 FE FE (III) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.5；278 K；16% PEG 3350, 0.1 M bis-tris propane pH 7.5, 0.1 M KSCN
Resolution 2.14 Å R-free 0.232
9HO1 Room temperature structure of Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate, and hydroxylated Factor X derived peptide fragment, 1.5 s O2 exposure Deposited 2024-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S Non-standard monomer：Yes (specific site not provided by mmCIF) AKG 2-OXOGLUTARIC ACID × 1 SIN SUCCINIC ACID × 1 FE FE (III) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.5；278 K；16% PEG3350, 0.1M Bis Tris propane pH 7.5, 0.1 M KSCN
Resolution 1.85 Å R-free 0.221
9HO2 Room temperature structure of Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate and Factor X derived peptide fragment, excess Fe removed Deposited 2024-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S AKG 2-OXOGLUTARIC ACID × 1 FE FE (III) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.5；278 K；16% PEG 3350, 0.1 M Bis Tris propane pH 7.5, 0.1 M KSCN
Resolution 1.83 Å R-free 0.219
9HO3 Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2OG, nitric oxide, and Factor X peptide fragment Deposited 2024-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 86–124（39 aa）
Mutation：C90S, C95S, C112S, C121S NA SODIUM ION × 1 K POTASSIUM ION × 1 FE FE (III) ION × 1 AKG 2-OXOGLUTARIC ACID × 1 NO NITRIC OXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；278 K；0.1 M bis tris propane pH 7.5, 16% PEG3350, 0.1 M KSCN
Resolution 2.39 Å R-free 0.242
9I24 Coagulation factor Xa complex with a2-loop peptide Deposited 2025-01-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 235–486（252 aa）
Chain L 126–179（54 aa）
Not recorded CA CALCIUM ION × 1 NA SODIUM ION × 1 CL CHLORIDE ION × 1 IMD IMIDAZOLE × 1 0GJ L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；287 K；imidazole, MPD
Resolution 1.20 Å R-free 0.172
9I2H A 3.3 angstrom cryo-EM structure of an engineered high-affinity human prothrombinase complex Deposited 2025-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: pentameric
Chain H 235–488（254 aa）
Chain L 41–179（139 aa）
Mutation：E129N, S130E, T132K, K134D, N166H, K169M, S173D, I175R, A233R, D239K Mutation：S90R, L91A, D92F, H101K, E102R, E103V, N105S CA CALCIUM ION × 2 NA SODIUM ION × 1 0GJ L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide × 1 CU COPPER (II) ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；20mM HEPES, 150mM NaCl and 5mM CaCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.28 Å
9L6S double-mutant (K217A & K218A) Vitamin K-dependent gamma-carboxylase in complex with coagulation factors X and vitamin K Deposited 2024-12-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–488（488 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 A1EMC 2-methyl-3-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-diol × 1 6PL (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE × 2 CLR CHOLESTEROL × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.58 Å
9R8R Factor Xa bound to BAY 3389934 Deposited 2025-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 235–468（234 aa）
Chain B 128–177（50 aa）
Not recorded CA CALCIUM ION × 1 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 GOL GLYCEROL × 2 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；0.1M MES pH5.8, 3.5% PEG1000, 25% PEG600, 11% Glycerol
Resolution 2.04 Å R-free 0.266
9WF9 Cryo-EM structure of GGCX-FX complex Deposited 2025-08-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 23–50（28 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 2 MX7 (2R)-3-(phosphonooxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate × 1 CLR CHOLESTEROL × 1 A1AT1 (1aR,7aS)-1a-methyl-7a-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.83 Å
9YQ8 Cryo-EM complex of meizothrombinDESF1, factor Xa, and factor Va Deposited 2025-10-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 124–467（344 aa）
Mutation：S379A No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.84 Å

183 other PDB entries and 220 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name FA10_HUMAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain X； PDBConstruct 1–131； UniProt 41–171

Tissue factor,Maltose/maltodextrin-binding periplasmic protein

Escherichia coli

UniProt P0AEY0

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Heteromer Protein × 7 PDB declaration: heptameric（7） Consistent with protein copy count Chain T； UniProt 27–392 Not recorded Factor VII light chain × 1 （P08709） Factor X light chain × 1 （P00742） Coagulation factor VII Heavy Chain × 1 （P08709） Tissue factor pathway inhibitor × 1 （P10646） Human 10H10 antibody Fab heavy chain × 1 Human 10H10 antibody Fab light chain × 1 MG MAGNESIUM ION × 4 CA CALCIUM ION × 12 BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.4 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.70 Å

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 9P0X Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1HSJ SARR MBP FUSION STRUCTURE Deposited 2000-12-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–387（361 aa）
Chain B 27–387（361 aa）
Not recorded GLC alpha-D-glucopyranose × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.304
2V93 EQUILLIBRIUM MIXTURE OF OPEN AND PARTIALLY-CLOSED SPECIES IN THE APO STATE OF MALTODEXTRIN-BINDING PROTEIN BY PARAMAGNETIC RELAXATION ENHANCEMENT NMR Deposited 2007-08-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–396（370 aa）
Mutation：YES MXT 1-(1-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)PYRROLIDINE-2,5-DIONE × 2 SOLUTION NMR
NMR measurement conditions pH 7.4；310 K；Ionic strength (raw mmCIF value) 0MM NACL；Pressure 1.0
NMR sample composition 10MM TRIS-HCL
Resolution not provided
3IO4 Huntingtin amino-terminal region with 17 Gln residues - Crystal C90 Deposited 2009-08-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：Fusion protein, see remark 999
Chain B 27–384（358 aa） Fragment：Fusion protein, see remark 999
Chain C 27–384（358 aa） Fragment：Fusion protein, see remark 999
Not recorded ZN ZINC ION × 8 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；277 K；12% polyethylene glycol, 200 mM Zn Acetate, 200 mM Sodium Acetate, 100 mM Sodium Cacodylate pH 6.5 to 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.63 Å R-free 0.304
3IO6 Huntingtin amino-terminal region with 17 Gln residues - crystal C92-a Deposited 2009-08-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：FUSION PROTEIN, SEE REMARK 999
Chain B 27–384（358 aa） Fragment：FUSION PROTEIN, SEE REMARK 999
Chain C 27–384（358 aa） Fragment：FUSION PROTEIN, SEE REMARK 999
Not recorded ZN ZINC ION × 5 CA CALCIUM ION × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；pH 7.2, VAPOR DIFFUSION, HANGING DROP
Resolution 3.70 Å R-free 0.293
3OSQ Maltose-bound maltose sensor engineered by insertion of circularly permuted green fluorescent protein into E. coli maltose binding protein at position 175 Deposited 2010-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–199（173 aa） Fragment：GFP P42212 residues 2-146, 147-238, MBP P0AEX9 residues 27-199, 201-396
Chain A 200–396（197 aa） Fragment：GFP P42212 residues 2-146, 147-238, MBP P0AEX9 residues 27-199, 201-396
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；296 K；0.5 M Ammonium sulfate, 0.1M Sodium citrate tribasic dihydrate pH 5.6, 1.0 M Lithium sulfate monohydrate, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 1.90 Å R-free 0.199
3OSR Maltose-bound maltose sensor engineered by insertion of circularly permuted green fluorescent protein into E. coli maltose binding protein at position 311 Deposited 2010-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–337（311 aa） Fragment：GFP P42212 residues 2-146, 147-238, MBP P0AEX9 residues 27-199, 201-396
Chain A 338–396（59 aa） Fragment：GFP P42212 residues 2-146, 147-238, MBP P0AEX9 residues 27-199, 201-396
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；296 K；0.1 M Sodium acetate pH 4.6, 8% w/v polyethylene glycol 4000, VAPOR DIFFUSION, temperature 296K
Resolution 2.00 Å R-free 0.226
3OSR Maltose-bound maltose sensor engineered by insertion of circularly permuted green fluorescent protein into E. coli maltose binding protein at position 311 Deposited 2010-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–337（311 aa） Fragment：GFP P42212 residues 2-146, 147-238, MBP P0AEX9 residues 27-199, 201-396
Chain B 338–396（59 aa） Fragment：GFP P42212 residues 2-146, 147-238, MBP P0AEX9 residues 27-199, 201-396
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；296 K；0.1 M Sodium acetate pH 4.6, 8% w/v polyethylene glycol 4000, VAPOR DIFFUSION, temperature 296K
Resolution 2.00 Å R-free 0.226
3VD8 Crystal structure of human AIM2 PYD domain with MBP fusion Deposited 2012-01-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa） Fragment：PYD domain (UNP Residues 1-107)
Mutation：D82A, K83A, E172A, N173A, K239A EDO 1,2-ETHANEDIOL × 4 K POTASSIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；298 K；20% PEG3350, 0.1M Potassium Acetate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.07 Å R-free 0.221
4FEB Crystal Structure of Htt36Q3H-EX1-X1-C2(Beta) Deposited 2012-05-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa）
Chain B 27–384（358 aa）
Chain C 27–384（358 aa）
Mutation：HQHQH Mutation：HQHQH Mutation：HQHQH ZN ZINC ION × 38 NA SODIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions hanging drop；pH 6.5；278 K；PEG12K, Na Acetate, Zn Acetate, Na Cacodylate, pH 6.5, hanging drop, temperature 278K
Resolution 2.80 Å R-free 0.275
4MY2 Crystal Structure of Norrin in fusion with Maltose Binding Protein Deposited 2013-09-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 26–392（367 aa） Fragment：Maltose binding protein (UNP residues 26-392), Norrin (UNP residues 30-133) fusion protein
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；15% PEG 3350, 0.1 M sodium acetate, pH 4.6, 0.2 M ammonium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.40 Å R-free 0.237
4WGI A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1) Deposited 2014-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：unp residues 27-392,unp residues 173-291
Mutation：K194A, K197A, R201A 3M6 (2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid × 1 MG MAGNESIUM ION × 1 FMT FORMIC ACID × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；10 MG/ML MBP-MCL1 VCID 9272, 200MM MG FORMATE, 20% PEG3350, 0.5M BRD-0611, 1MM MALTOSE, CRYOPROTECTANT 20% ETHYLENE GLYCOL
Resolution 1.85 Å R-free 0.213
4WRN Crystal structure of the polymerization region of human uromodulin/Tamm-Horsfall protein Deposited 2014-10-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–393（367 aa）
Chain B 27–393（367 aa）
Mutation：;I28T, D108A, K109A, E198A, N199A, A241H, K245H, K265A, A338V, I343V, E385A, E388A, D389A, R393N,R586A, R588A,I28T, D108A, K109A, E198A, N199A, A241H, K245H, K265A, A338V, I343V, E385A, E388A, D389A, R393N,R586A, R588A ; Mutation：;I28T, D108A, K109A, E198A, N199A, A241H, K245H, K265A, A338V, I343V, E385A, E388A, D389A, R393N,R586A, R588A,I28T, D108A, K109A, E198A, N199A, A241H, K245H, K265A, A338V, I343V, E385A, E388A, D389A, R393N,R586A, R588A ; NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；Sodium/potassium tartrate, Tris-HCl
Resolution 3.20 Å R-free 0.246
4WTH Ataxin-3 Carboxy Terminal Region - Crystal C2 (triclinic) Deposited 2014-10-30 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：MBP residues 27-392 (UNP) + Ataxin-3 C-terminal region (UNP residues 278-324)
Not recorded ZN ZINC ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；24% PEG5000 MME, 0.9 M sodium acetate, 0.06 M imidazole, pH 8.0, 0.1 M zinc acetate
Resolution 2.25 Å R-free 0.250
4WTH Ataxin-3 Carboxy Terminal Region - Crystal C2 (triclinic) Deposited 2014-10-30 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa） Fragment：MBP residues 27-392 (UNP) + Ataxin-3 C-terminal region (UNP residues 278-324)
Not recorded ZN ZINC ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；24% PEG5000 MME, 0.9 M sodium acetate, 0.06 M imidazole, pH 8.0, 0.1 M zinc acetate
Resolution 2.25 Å R-free 0.250
4WVG Crystal structure of the Type-I signal peptidase from Staphylococcus aureus (SpsB). Deposited 2014-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 33–392（360 aa） Fragment：UNP RESIDUES 33-393, UNP RESIDUES 26-191
Mutation：S36A, R393N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；12 % PEG 8000, 20 % ethylene glycol, 0.2 M amino acids mix (0.2 M sodium-L-glutamate, 0.2 M DL-alanine, 0.2 M glycine, 0.2 M DL-lysine, 0.2 M DL-serine), 100 mM Tris.Cl pH 8.5
Resolution 2.05 Å R-free 0.242
4WVH Crystal structure of the Type-I signal peptidase from Staphylococcus aureus (SpsB) in complex with a substrate peptide (pep1). Deposited 2014-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 33–392（360 aa） Fragment：unp residues 33-382, unp reisdues 26-175
Mutation：K143G, Q78C,K143G, Q78C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；296 K；12 % PEG 8000, 20 % ethylene glycol, 100 mM sodium acetate pH 5.3 - 5.5
Resolution 2.10 Å R-free 0.248
4WVI Crystal structure of the Type-I signal peptidase from Staphylococcus aureus (SpsB) in complex with a substrate peptide (pep2). Deposited 2014-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 33–392（360 aa） Fragment：unp residues 33-393, unp residues 26-175
Mutation：K143G, Q78C, R393N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；290 K；12 % PEG 8000, 20 % ethylene glycol, 100 mM sodium acetate pH 5.3 - 5.5
Resolution 1.90 Å R-free 0.219
4WVJ Crystal structure of the Type-I signal peptidase from Staphylococcus aureus (SpsB) in complex with an inhibitor peptide (pep3). Deposited 2014-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 33–392（360 aa） Fragment：UNP RESIDUES 33-393, unp residues 26-175
Mutation：K143G, Q78C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；290 K；12 % PEG 8000, 20 % ethylene glycol, 100 mM sodium acetate pH 5.3 - 5.5
Resolution 1.95 Å R-free 0.229
4XA2 Structure of the Major Type IV pilin of Acinetobacter baumannii Deposited 2014-12-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；0.1M Bis-Tris, 22.5% PEG 3350, 0.3M 1,6 Hexandediol
Resolution 1.98 Å R-free 0.241
4XA2 Structure of the Major Type IV pilin of Acinetobacter baumannii Deposited 2014-12-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；0.1M Bis-Tris, 22.5% PEG 3350, 0.3M 1,6 Hexandediol
Resolution 1.98 Å R-free 0.241
4XAI Crystal Structure of red flour beetle NR2E1/TLX Deposited 2014-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa） Fragment：maltose binding protein fused ligand binding domain,maltose binding protein fused ligand binding domain
Chain B 27–392（366 aa） Fragment：maltose binding protein fused ligand binding domain,maltose binding protein fused ligand binding domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.4；298 K；PEG 3350
Resolution 2.60 Å R-free 0.262
4XAJ Crystal structure of human NR2E1/TLX Deposited 2014-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 26–392（367 aa） Fragment：maltose binding protein fused ligand binding domain
Chain C 26–392（367 aa） Fragment：maltose binding protein fused ligand binding domain
Mutation：K257R, N259T, K260L, C338V,K257R, N259T, K260L, C338V Mutation：K257R, N259T, K260L, C338V,K257R, N259T, K260L, C338V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；PEG3350
Resolution 3.55 Å R-free 0.314
4XAJ Crystal structure of human NR2E1/TLX Deposited 2014-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 26–392（367 aa） Fragment：maltose binding protein fused ligand binding domain
Chain D 26–392（367 aa） Fragment：maltose binding protein fused ligand binding domain
Mutation：K257R, N259T, K260L, C338V,K257R, N259T, K260L, C338V Mutation：K257R, N259T, K260L, C338V,K257R, N259T, K260L, C338V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；PEG3350
Resolution 3.55 Å R-free 0.314
4XHS Crystal structure of human NLRP12 PYD domain and implication in homotypic interaction Deposited 2015-01-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa） Fragment：UNP P0AEY0 residues 27-392, UNP P59046 residues 10-106
Chain B 27–392（366 aa） Fragment：UNP P0AEY0 residues 27-392, UNP P59046 residues 10-106
Not recorded FMT FORMIC ACID × 4 NA SODIUM ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；3.5 M Sodium Formate, 0.1 M Sodium Acetate pH 4.6
Resolution 1.70 Å R-free 0.190
4YS9 Ataxin-3 Carboxy-Terminal Region - Crystal C1 (tetragonal) Deposited 2015-03-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa） Fragment：MBP residues 27-392 (UNP) + Ataxin-3 C-terminal region (UNP residues 278-324)
Not recorded ZN ZINC ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；25% PEG5000 MME, 1.0 M sodium acetate, 0.1 M imidazole, pH 8.0, 0.1 M zinc acetate
Resolution 2.00 Å R-free 0.223
5BJZ Crystal structure of maltose binding protein in complex with an allosteric synthetic antibody Deposited 2017-09-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 26–393（368 aa）
Not recorded GOL GLYCEROL × 3 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；283 K；0.1 M HEPES: pH 7.0 and 15% PEG4000
Resolution 1.95 Å R-free 0.229
5BJZ Crystal structure of maltose binding protein in complex with an allosteric synthetic antibody Deposited 2017-09-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 26–393（368 aa）
Not recorded GOL GLYCEROL × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；283 K；0.1 M HEPES: pH 7.0 and 15% PEG4000
Resolution 1.95 Å R-free 0.229
5BMY Crystal structure of hPin1 WW domain (5-21) fused with maltose-binding protein Deposited 2015-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa）
Mutation：R393N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；2.1 M DL-malic acid
Resolution 2.00 Å R-free 0.194
5C7R Revealing surface waters on an antifreeze protein by fusion protein crystallography Deposited 2015-06-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa） Fragment：UNP P0AEY0 residues 27-384, UNP P19614 residues 1-63
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.4；298 K；1.75 M (NH4)2SO4, 100 mM NaOAC (pH 4.4)
Resolution 1.94 Å R-free 0.234
5C7R Revealing surface waters on an antifreeze protein by fusion protein crystallography Deposited 2015-06-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–384（358 aa） Fragment：UNP P0AEY0 residues 27-384, UNP P19614 residues 1-63
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.4；298 K；1.75 M (NH4)2SO4, 100 mM NaOAC (pH 4.4)
Resolution 1.94 Å R-free 0.234
5CL1 Complex structure of Norrin with human Frizzled 4 Deposited 2015-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 26–392（367 aa） Fragment：UNP Q00604 residues 31-133
Chain B 26–392（367 aa） Fragment：UNP Q00604 residues 31-133
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；200 mM ammonium sulfate, 100 mM sodium cacodylate trihydrate (pH 6.5), 15% w/v polyethylene glycol 8,000
Resolution 3.80 Å R-free 0.310
5DFM Structure of Tetrahymena telomerase p19 fused to MBP Deposited 2015-08-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa）
Not recorded SO4 SULFATE ION × 5 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；12 mg/ml MBP-P19 protein, 0.1 M Sodium Acetate, 2.0 M Ammonium Sulfate
Resolution 2.30 Å R-free 0.226
5DFM Structure of Tetrahymena telomerase p19 fused to MBP Deposited 2015-08-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–384（358 aa）
Not recorded SO4 SULFATE ION × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；12 mg/ml MBP-P19 protein, 0.1 M Sodium Acetate, 2.0 M Ammonium Sulfate
Resolution 2.30 Å R-free 0.226
5DFM Structure of Tetrahymena telomerase p19 fused to MBP Deposited 2015-08-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 27–384（358 aa）
Chain B 27–384（358 aa）
Not recorded SO4 SULFATE ION × 45 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；12 mg/ml MBP-P19 protein, 0.1 M Sodium Acetate, 2.0 M Ammonium Sulfate
Resolution 2.30 Å R-free 0.226
5E24 Structure of the Su(H)-Hairless-DNA Repressor Complex Deposited 2015-09-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–396（370 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, N367R EDO 1,2-ETHANEDIOL × 73 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 8；277 K；Tris, PEG3350, (NH4)2SO4
Resolution 2.14 Å R-free 0.193
5E24 Structure of the Su(H)-Hairless-DNA Repressor Complex Deposited 2015-09-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein–DNA Heteromer；Protein × 3 PDB declaration: pentameric
Chain C 27–396（370 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, N367R EDO 1,2-ETHANEDIOL × 40 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 8；277 K；Tris, PEG3350, (NH4)2SO4
Resolution 2.14 Å R-free 0.193
5E24 Structure of the Su(H)-Hairless-DNA Repressor Complex Deposited 2015-09-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric
Chain A 27–396（370 aa）
Chain C 27–396（370 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, N367R Mutation：D82A, K83A, E172A, N173A, K239A, N367R EDO 1,2-ETHANEDIOL × 113 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 8；277 K；Tris, PEG3350, (NH4)2SO4
Resolution 2.14 Å R-free 0.193
5E7U MBP-MamC loop structure, a magnetite biomineralizing protein from Magnetospirillium magneticum AMB-1 Deposited 2015-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–389（363 aa）
Chain A 390–392（3 aa）
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M sodium acetate , 2 M Ammonium sulfate
Resolution 2.80 Å R-free 0.307
5EDU Crystal structure of human histone deacetylase 6 catalytic domain 2 in complex with trichostatin A Deposited 2015-10-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa） Fragment：MBP + HD6 catalytic domain 2 (UNP residues 479-835)
Not recorded TSN TRICHOSTATIN A × 1 ZN ZINC ION × 1 K POTASSIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M potassium sodium tartrate, 20% PEG3350
Resolution 2.79 Å R-free 0.275
5EDU Crystal structure of human histone deacetylase 6 catalytic domain 2 in complex with trichostatin A Deposited 2015-10-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：MBP + HD6 catalytic domain 2 (UNP residues 479-835)
Not recorded TSN TRICHOSTATIN A × 1 ZN ZINC ION × 1 K POTASSIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M potassium sodium tartrate, 20% PEG3350
Resolution 2.79 Å R-free 0.275
5FIO DARPins as a new tool for experimental phasing in protein crystallography Deposited 2015-09-30 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 29–392（364 aa） Fragment：UNP RESIDUES 29-392
Not recorded HG MERCURY (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；30.55% W/V PEG 6000, 0.1M TRIS-CL, PH 8.0
Resolution 2.10 Å R-free 0.253
5GPP Crystal structure of zebrafish ASC PYD domain Deposited 2016-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa） Fragment：UNP residues 27-384,UNP residues 3-88
Mutation：D83A,K84A,E173A,N174A,K240A SO4 SULFATE ION × 2 ACT ACETATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；20% PEG2000MME, 0.1 M NaAcO
Resolution 2.00 Å R-free 0.252
5GPP Crystal structure of zebrafish ASC PYD domain Deposited 2016-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–384（358 aa） Fragment：UNP residues 27-384,UNP residues 3-88
Mutation：D83A,K84A,E173A,N174A,K240A SO4 SULFATE ION × 3 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；20% PEG2000MME, 0.1 M NaAcO
Resolution 2.00 Å R-free 0.252
5GPQ Crystal Structure of zebrafish ASC CARD Domain Deposited 2016-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa） Fragment：UNP residues 27-384,UNP residues 119-201
Mutation：D83A,K84A,E173A,N174A,K240A CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2.0 M Ammonium Citrate, 0.1 M HEPES
Resolution 2.10 Å R-free 0.199
5II4 Crystal structure of red abalone VERL repeat 1 with linker at 2.0 A resolution Deposited 2016-03-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa）
Mutation：N4115Q, N4122T, N4142Y, N4171Q,N4115Q, N4122T, N4142Y, N4171Q,N4115Q, N4122T, N4142Y, N4171Q,N4115Q, N4122T, N4142Y, N4171Q PGE TRIETHYLENE GLYCOL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；293 K；40% PEG 600, 0.1M CHES
Resolution 2.00 Å R-free 0.247
5JJ4 Crystal Structure of a Variant Human Activation-induced Deoxycytidine Deaminase as an MBP fusion protein Deposited 2016-04-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–393（367 aa） Fragment：unp residues 27-384, unp residues 3-183
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；100mM MES pH 6.5, 200mM Calcium Acetate, 15%PEG8000
Resolution 2.81 Å R-free 0.232
5JJ4 Crystal Structure of a Variant Human Activation-induced Deoxycytidine Deaminase as an MBP fusion protein Deposited 2016-04-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：unp residues 27-384, unp residues 3-183
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；100mM MES pH 6.5, 200mM Calcium Acetate, 15%PEG8000
Resolution 2.81 Å R-free 0.232
5JJ4 Crystal Structure of a Variant Human Activation-induced Deoxycytidine Deaminase as an MBP fusion protein Deposited 2016-04-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa） Fragment：unp residues 27-384, unp residues 3-183
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；100mM MES pH 6.5, 200mM Calcium Acetate, 15%PEG8000
Resolution 2.81 Å R-free 0.232
5JON Crystal structure of the unliganded form of HCN2 CNBD Deposited 2016-05-02 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded NO3 NITRATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；34-36% dimethyl PEG 500, 240 mM potassium nitrate, 20 mM magnesium chloride, 100 mM BIS-TRIS, pH 6.0
Resolution 2.04 Å R-free 0.221
5JON Crystal structure of the unliganded form of HCN2 CNBD Deposited 2016-05-02 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa）
Not recorded NO3 NITRATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；34-36% dimethyl PEG 500, 240 mM potassium nitrate, 20 mM magnesium chloride, 100 mM BIS-TRIS, pH 6.0
Resolution 2.04 Å R-free 0.221
5JTQ The structure of chaperone SecB in complex with unstructured MBP binding site d Deposited 2016-05-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain E 108–149（42 aa） Fragment：residues 108-149
Chain F 108–149（42 aa） Fragment：residues 108-149
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；301 K；Ionic strength (raw mmCIF value) 150；Pressure 1
NMR sample composition 300 uM [U-100% 13C; U-100% 15N] E.coli Chaperone SecB, 300 uM [U-100% 13C; U-100% 15N] E.coli Maltose Binding Protein (MBP) binding site d, 150 mM potassium chloride, 50 mM potassium phosphate, 50 mM sodium phosphate, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
5JTR The structure of chaperone SecB in complex with unstructured MBP binding site e Deposited 2016-05-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain E 168–207（40 aa） Fragment：residues 168-207
Chain F 168–207（40 aa） Fragment：residues 168-207
Chain G 168–207（40 aa） Fragment：residues 168-207
Chain H 168–207（40 aa） Fragment：residues 168-207
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；301 K；Ionic strength (raw mmCIF value) 150；Pressure 1
NMR sample composition 300 uM [U-100% 13C; U-100% 15N] E.coli Chaperone SecB, 300 uM [U-100% 13C; U-100% 15N] E.coli Maltose Binding Protein (MBP) binding site e, 150 mM potassium chloride, 50 mM sodium phosphate, 50 mM potassium phosphate, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
5K94 Deletion-Insertion Chimera of MBP with the Preprotein Cross-Linking Domain of the SecA ATPase Deposited 2016-05-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–197（171 aa）
Chain A 202–396（195 aa）
Not recorded B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；50 mM PCB buffer (Qiagen; sodium propionate, sodium cacodylate, bis-tris propane), pH 7.0; 19.5 % PEG 1500; 10% glycerol; 28 mg/mL protein concentration
Resolution 2.10 Å R-free 0.230
5K94 Deletion-Insertion Chimera of MBP with the Preprotein Cross-Linking Domain of the SecA ATPase Deposited 2016-05-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–197（171 aa）
Chain B 202–396（195 aa）
Not recorded B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；50 mM PCB buffer (Qiagen; sodium propionate, sodium cacodylate, bis-tris propane), pH 7.0; 19.5 % PEG 1500; 10% glycerol; 28 mg/mL protein concentration
Resolution 2.10 Å R-free 0.230
5LDF Maltose binding protein genetically fused to dodecameric glutamine synthetase Deposited 2016-06-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 24 PDB declaration: 24-meric
Chain M 27–396（370 aa）
Chain N 27–396（370 aa）
Chain O 27–396（370 aa）
Chain P 27–396（370 aa）
Chain Q 27–396（370 aa）
Chain R 27–396（370 aa）
Chain S 27–396（370 aa）
Chain T 27–396（370 aa）
Chain U 27–396（370 aa）
Chain V 27–396（370 aa）
Chain W 27–396（370 aa）
Chain X 27–396（370 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 6.20 Å
5LEL Crystal structure of DARPin-DARPin rigid fusion, variant DD_Off7_10_3G124 in complex with Maltose-binding Protein and Green Fluorescent Protein Deposited 2016-06-30 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 29–392（364 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；PEG3350 23.2% w/v, Sodium acetate 0.2 M, Bis-Tris propane 0.1 M, pH 8.0
Resolution 3.10 Å R-free 0.306
5LEL Crystal structure of DARPin-DARPin rigid fusion, variant DD_Off7_10_3G124 in complex with Maltose-binding Protein and Green Fluorescent Protein Deposited 2016-06-30 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 29–392（364 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；PEG3350 23.2% w/v, Sodium acetate 0.2 M, Bis-Tris propane 0.1 M, pH 8.0
Resolution 3.10 Å R-free 0.306
5LEL Crystal structure of DARPin-DARPin rigid fusion, variant DD_Off7_10_3G124 in complex with Maltose-binding Protein and Green Fluorescent Protein Deposited 2016-06-30 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 29–392（364 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；PEG3350 23.2% w/v, Sodium acetate 0.2 M, Bis-Tris propane 0.1 M, pH 8.0
Resolution 3.10 Å R-free 0.306
5LEM Crystal structure of DARPin-DARPin rigid fusion, variant DD_Off7_11_3G124 in complex with Maltose-binding Protein and Green Fluorescent Protein Deposited 2016-06-30 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 29–392（364 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；PEG6000 20% w/v, TAPS 0.02 M, pH 9.0
Resolution 2.98 Å R-free 0.295
5LOF Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1 Deposited 2016-08-09 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：K194A, K197A, R201A,K194A, K197A, R201A 70R (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；284 K；25% PEG3350, 0.2M Magnesium Formate, 1mM Maltose
Resolution 2.20 Å R-free 0.235
5T03 Crystal structure of heparan sulfate 6-O-sulfotransferase with bound PAP and glucuronic acid containing hexasaccharide substrate Deposited 2016-08-15 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, E359A, K362A, D363A A3P ADENOSINE-3'-5'-DIPHOSPHATE × 1 NPO P-NITROPHENOL × 1 EDO 1,2-ETHANEDIOL × 11 CL CHLORIDE ION × 3 NA SODIUM ION × 4 TLA L(+)-TARTARIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100mM Tris pH 7.5, 200mM di-sodium tartrate, 18-19% PEG 3350
Resolution 2.10 Å R-free 0.212
5T03 Crystal structure of heparan sulfate 6-O-sulfotransferase with bound PAP and glucuronic acid containing hexasaccharide substrate Deposited 2016-08-15 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, E359A, K362A, D363A A3P ADENOSINE-3'-5'-DIPHOSPHATE × 1 NPO P-NITROPHENOL × 1 EDO 1,2-ETHANEDIOL × 5 CL CHLORIDE ION × 2 NA SODIUM ION × 2 TLA L(+)-TARTARIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100mM Tris pH 7.5, 200mM di-sodium tartrate, 18-19% PEG 3350
Resolution 2.10 Å R-free 0.212
5T05 Crystal structure of heparan sulfate 6-O-sulfotransferase with bound PAP and IdoA2S containing hexasaccharide substrate Deposited 2016-08-15 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, E359A, K362A, D363A A3P ADENOSINE-3'-5'-DIPHOSPHATE × 1 NPO P-NITROPHENOL × 1 EDO 1,2-ETHANEDIOL × 9 CL CHLORIDE ION × 3 NA SODIUM ION × 5 TLA L(+)-TARTARIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100mM Tris pH 7.5, 200mM disodium tartrate, 18-19% PEG 3350, 1mM PAP, 5mM maltose, 10mM oligosaccharide ligand
Resolution 1.95 Å R-free 0.212
5T05 Crystal structure of heparan sulfate 6-O-sulfotransferase with bound PAP and IdoA2S containing hexasaccharide substrate Deposited 2016-08-15 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, E359A, K362A, D363A A3P ADENOSINE-3'-5'-DIPHOSPHATE × 1 NPO P-NITROPHENOL × 1 EDO 1,2-ETHANEDIOL × 6 CL CHLORIDE ION × 1 NA SODIUM ION × 2 TLA L(+)-TARTARIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100mM Tris pH 7.5, 200mM disodium tartrate, 18-19% PEG 3350, 1mM PAP, 5mM maltose, 10mM oligosaccharide ligand
Resolution 1.95 Å R-free 0.212
5T0A Crystal Structure of Heparan Sulfate 6-O-Sulfotransferase with bound PAP and heptasaccharide substrate Deposited 2016-08-15 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, E359A, K362A, D363A NPO P-NITROPHENOL × 1 A3P ADENOSINE-3'-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 11 TLA L(+)-TARTARIC ACID × 2 NA SODIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；25mM Tris pH 7.5 200mM disodium tartrate 18-19% PEG3350 1mM PAP 10mM oligosaccharide 5mM maltose
Resolution 1.95 Å R-free 0.213
5T0A Crystal Structure of Heparan Sulfate 6-O-Sulfotransferase with bound PAP and heptasaccharide substrate Deposited 2016-08-15 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, E359A, K362A, D363A NPO P-NITROPHENOL × 1 A3P ADENOSINE-3'-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 4 TLA L(+)-TARTARIC ACID × 1 NA SODIUM ION × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；25mM Tris pH 7.5 200mM disodium tartrate 18-19% PEG3350 1mM PAP 10mM oligosaccharide 5mM maltose
Resolution 1.95 Å R-free 0.213
5TTD Minor pilin FctB from S. pyogenes with engineered intramolecular isopeptide bond Deposited 2016-11-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 33–392（360 aa） Fragment：UNP residues 33-392,UNP residues 26-148
Not recorded FMT FORMIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；12.5% PEG 1000, 10% PEG 3350, 12.5% MPD, 0.1M MES/imidazole pH 6.5, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium L-tartrate, 0.02 M sodium oxamate
Resolution 2.00 Å R-free 0.230
5TTD Minor pilin FctB from S. pyogenes with engineered intramolecular isopeptide bond Deposited 2016-11-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 33–392（360 aa） Fragment：UNP residues 33-392,UNP residues 26-148
Not recorded FMT FORMIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；12.5% PEG 1000, 10% PEG 3350, 12.5% MPD, 0.1M MES/imidazole pH 6.5, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium L-tartrate, 0.02 M sodium oxamate
Resolution 2.00 Å R-free 0.230
5V6Y Crystal structure of the human CLR:RAMP1 extracellular domain heterodimer with bound high-affinity and altered selectivity adrenomedullin variant Deposited 2017-03-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–392（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；15% PEG3350, 0.1 M Sodium Malonate pH 6.0, 50 mM Potassium/Sodium tartrate, 1% Cadaverine
Resolution 2.80 Å R-free 0.244
5V6Y Crystal structure of the human CLR:RAMP1 extracellular domain heterodimer with bound high-affinity and altered selectivity adrenomedullin variant Deposited 2017-03-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 26–392（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；15% PEG3350, 0.1 M Sodium Malonate pH 6.0, 50 mM Potassium/Sodium tartrate, 1% Cadaverine
Resolution 2.80 Å R-free 0.244
5V6Y Crystal structure of the human CLR:RAMP1 extracellular domain heterodimer with bound high-affinity and altered selectivity adrenomedullin variant Deposited 2017-03-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 26–392（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；15% PEG3350, 0.1 M Sodium Malonate pH 6.0, 50 mM Potassium/Sodium tartrate, 1% Cadaverine
Resolution 2.80 Å R-free 0.244
5V6Y Crystal structure of the human CLR:RAMP1 extracellular domain heterodimer with bound high-affinity and altered selectivity adrenomedullin variant Deposited 2017-03-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 26–392（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；15% PEG3350, 0.1 M Sodium Malonate pH 6.0, 50 mM Potassium/Sodium tartrate, 1% Cadaverine
Resolution 2.80 Å R-free 0.244
5W0R Crystal structure of MBP fused activation-induced cytidine deaminase (AID) in complex with cacodylic acid Deposited 2017-05-31 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa） Fragment：UNP P0AEY0 residues 27-392, UNP Q9GZX7 residues 13-181
Not recorded ZN ZINC ION × 1 CAC CACODYLATE ION × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；0.05 M sodium cacodylate at pH 5.5, 20 mM MgCl2, 10 mM CaCl2, 10 mM spermidine, 5% PEG3350
Resolution 2.40 Å R-free 0.239
5W0R Crystal structure of MBP fused activation-induced cytidine deaminase (AID) in complex with cacodylic acid Deposited 2017-05-31 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：UNP P0AEY0 residues 27-392, UNP Q9GZX7 residues 13-181
Not recorded ZN ZINC ION × 1 CAC CACODYLATE ION × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；0.05 M sodium cacodylate at pH 5.5, 20 mM MgCl2, 10 mM CaCl2, 10 mM spermidine, 5% PEG3350
Resolution 2.40 Å R-free 0.239
5W0U Crystal structure of MBP fused activation-induced cytidine deaminase (AID) in complex with dCMP Deposited 2017-05-31 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: trimeric
Chain B 27–392（366 aa） Fragment：UNP residues 27-392,UNP residues 13-181
Not recorded ZN ZINC ION × 1 DCM 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE × 1 CA CALCIUM ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；289 K；0.1 M MES at pH 6.2, 3%PEG3350, 10 mM CaCl2, 20mM dCMP
Resolution 2.90 Å R-free 0.281
5W0U Crystal structure of MBP fused activation-induced cytidine deaminase (AID) in complex with dCMP Deposited 2017-05-31 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：UNP residues 27-392,UNP residues 13-181
Not recorded ZN ZINC ION × 1 DCM 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；289 K；0.1 M MES at pH 6.2, 3%PEG3350, 10 mM CaCl2, 20mM dCMP
Resolution 2.90 Å R-free 0.281
5W0Z Crystal structure of MBP fused activation-induced cytidine deaminase (AID) Deposited 2017-06-01 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：UNP P0AEY0 residues 27-392,UNP Q9GZX7 residues 13-181
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；0.26 M NaCl, 0.1 M MES pH 6.0, 12% PEG3350
Resolution 3.61 Å R-free 0.307
5W0Z Crystal structure of MBP fused activation-induced cytidine deaminase (AID) Deposited 2017-06-01 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa） Fragment：UNP P0AEY0 residues 27-392,UNP Q9GZX7 residues 13-181
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；0.26 M NaCl, 0.1 M MES pH 6.0, 12% PEG3350
Resolution 3.61 Å R-free 0.307
5W1C Crystal structure of MBP fused activation-induced cytidine deaminase (AID) in complex with cytidine Deposited 2017-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 CTN 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；289 K；0.1 M MES at pH 6.2, 3% PEG3350, 10 mM CaCl2 and 20mM Cytidine
Resolution 3.18 Å R-free 0.270
5ZD4 Crystal structure of MBP-fused BIL1/BZR1 in complex with double-stranded DNA Deposited 2018-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；50mM sodium cacodylate (pH 6.5), 200mM potassium chloride, 10% (w/v) polyethylene glycol (PEG) 4000
Resolution 2.17 Å R-free 0.244
5ZD4 Crystal structure of MBP-fused BIL1/BZR1 in complex with double-stranded DNA Deposited 2018-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；50mM sodium cacodylate (pH 6.5), 200mM potassium chloride, 10% (w/v) polyethylene glycol (PEG) 4000
Resolution 2.17 Å R-free 0.244
6AEO TssL periplasmic domain Deposited 2018-08-06 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；PEG MME 2000, KSCN
Resolution 2.30 Å R-free 0.229
6AEO TssL periplasmic domain Deposited 2018-08-06 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；PEG MME 2000, KSCN
Resolution 2.30 Å R-free 0.229
6ANV Crystal structure of anti-CRISPR protein AcrF1 Deposited 2017-08-14 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–396（370 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 PGE TRIETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 3 PEG DI(HYDROXYETHYL)ETHER × 4 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.2；293 K；0.1 M MES (pH 6.2), 2.5% PEG 3000 (v/v), and 42% PEG400 (v/v)
Resolution 2.27 Å R-free 0.223
6ANV Crystal structure of anti-CRISPR protein AcrF1 Deposited 2017-08-14 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–396（370 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 PGE TRIETHYLENE GLYCOL × 2 EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 3 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.2；293 K；0.1 M MES (pH 6.2), 2.5% PEG 3000 (v/v), and 42% PEG400 (v/v)
Resolution 2.27 Å R-free 0.223
6BUZ Cryo-EM structure of CENP-A nucleosome in complex with kinetochore protein CENP-N Deposited 2017-12-11 Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 9 PDB declaration: undecameric
Chain N 26–394（369 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.92 Å
6D1U Crystal structure of the human CLR:RAMP1 extracellular domain heterodimer in complex with adrenomedullin 2/intermedin Deposited 2018-04-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–392（367 aa）
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；13% v/v PEG 3,350 0.1 M Na cacodylate, pH 6.5 0.15 M DL-malic acid
Resolution 2.05 Å R-free 0.223
6D1U Crystal structure of the human CLR:RAMP1 extracellular domain heterodimer in complex with adrenomedullin 2/intermedin Deposited 2018-04-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 26–392（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；13% v/v PEG 3,350 0.1 M Na cacodylate, pH 6.5 0.15 M DL-malic acid
Resolution 2.05 Å R-free 0.223
6D1U Crystal structure of the human CLR:RAMP1 extracellular domain heterodimer in complex with adrenomedullin 2/intermedin Deposited 2018-04-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 26–392（367 aa）
Not recorded NA SODIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；13% v/v PEG 3,350 0.1 M Na cacodylate, pH 6.5 0.15 M DL-malic acid
Resolution 2.05 Å R-free 0.223
6DD5 Crystal Structure of the Cas6 Domain of Marinomonas mediterranea MMB-1 Cas6-RT-Cas1 Fusion Protein Deposited 2018-05-09 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa）
Not recorded GOL GLYCEROL × 1 SO4 SULFATE ION × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.2；295 K；0.1 M Sodium Acetate, 2.5 M Ammonium Sulfate
Resolution 2.85 Å R-free 0.225
6DD5 Crystal Structure of the Cas6 Domain of Marinomonas mediterranea MMB-1 Cas6-RT-Cas1 Fusion Protein Deposited 2018-05-09 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–384（358 aa）
Not recorded GOL GLYCEROL × 1 SO4 SULFATE ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.2；295 K；0.1 M Sodium Acetate, 2.5 M Ammonium Sulfate
Resolution 2.85 Å R-free 0.225
6DKS Structure of the Rbpj-SHARP-DNA Repressor Complex Deposited 2018-05-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 4 PDB declaration: octameric
Chain D 28–392（365 aa） Fragment：residues 28-392
Chain H 28–392（365 aa） Fragment：residues 28-392
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 6.6；277 K；Bis-Tris pH6.6 100mM NaCl 40% PEG400 200mM NDSB-256
Resolution 2.78 Å R-free 0.228
6DKS Structure of the Rbpj-SHARP-DNA Repressor Complex Deposited 2018-05-30 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain D 28–392（365 aa） Fragment：residues 28-392
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 6.6；277 K；Bis-Tris pH6.6 100mM NaCl 40% PEG400 200mM NDSB-256
Resolution 2.78 Å R-free 0.228
6DKS Structure of the Rbpj-SHARP-DNA Repressor Complex Deposited 2018-05-30 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain H 28–392（365 aa） Fragment：residues 28-392
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 6.6；277 K；Bis-Tris pH6.6 100mM NaCl 40% PEG400 200mM NDSB-256
Resolution 2.78 Å R-free 0.228
6EG2 Crystal structure of human BRM in complex with compound 16 Deposited 2018-08-17 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded J7J N-(5-amino-2-chloropyridin-4-yl)-N'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea × 2 IPA ISOPROPYL ALCOHOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；100mM Hepes pH7.5, 200mM sodium chloride, 8% isopropanol
Resolution 2.98 Å R-free 0.304
6EG3 Crystal structure of human BRM in complex with compound 15 Deposited 2018-08-17 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded J7G 3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid × 1 EOH ETHANOL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；100mM Tris pH7, 14% Ethanol
Resolution 2.84 Å R-free 0.267
6EQZ A MamC-MIC insertion in MBP scaffold at position K170 Deposited 2017-10-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–195（169 aa）
Chain A 207–392（186 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；1,86 M Tris-Ammonium citrate
Resolution 2.29 Å R-free 0.274
6EQZ A MamC-MIC insertion in MBP scaffold at position K170 Deposited 2017-10-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–195（169 aa）
Chain B 207–392（186 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；1,86 M Tris-Ammonium citrate
Resolution 2.29 Å R-free 0.274
6EQZ A MamC-MIC insertion in MBP scaffold at position K170 Deposited 2017-10-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 27–195（169 aa）
Chain D 207–392（186 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；1,86 M Tris-Ammonium citrate
Resolution 2.29 Å R-free 0.274
6EQZ A MamC-MIC insertion in MBP scaffold at position K170 Deposited 2017-10-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain G 27–195（169 aa）
Chain G 207–392（186 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；1,86 M Tris-Ammonium citrate
Resolution 2.29 Å R-free 0.274
6N84 MBP-fusion protein of transducin-alpha residues 327-350 Deposited 2018-11-28 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：D83A, K84A, E173A, N174A, A216H, K220H, K240A SO4 SULFATE ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；2 M Ammonium Sulphate, 0.1 M sodium acetate, pH 4.6
Resolution 1.75 Å R-free 0.185
6N85 Resistance to inhibitors of cholinesterase 8A (Ric8A) protein in complex with MBP-tagged transducin-alpha residues 327-350 Deposited 2018-11-28 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain M 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；0.1 M MIB buffer, 25 % PEG3350pH 8.0
Resolution 2.50 Å R-free 0.249
6QGD Structure of human Mcl-1 in complex with thienopyrimidine inhibitor Deposited 2019-01-11 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded J1N 2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；284 K；25% PEG3350, 0.2M MAGNESIUM FORMATE, 1MM MALTOSE
Resolution 1.80 Å R-free 0.208
6QXJ Structure of MBP-Mcl-1 in complex with compound 6a Deposited 2019-03-07 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：K194A, K197A, R201A,K194A, K197A, R201A JKQ (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；279 K；25% PEG3350, 0.2M MAGNESIUM FORMATE,1MM MALTOSE
Resolution 1.70 Å R-free 0.203
6QYK Structure of MBP-Mcl-1 in complex with compound 7a Deposited 2019-03-09 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded JLB (2~{R})-2-[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；284 K；25% PEG3350, 0.2M MAGNESIUM FORMATE, 1MM MALTOSE
Resolution 2.30 Å R-free 0.266
6QYL Structure of MBP-Mcl-1 in complex with compound 8a Deposited 2019-03-09 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded JLE (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；284 K；25% PEG3350, 0.2M MAGNESIUM FORMATE, 1MM MALTOSE
Resolution 2.20 Å R-free 0.235
6QYN Structure of MBP-Mcl-1 in complex with compound 10d Deposited 2019-03-09 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded JL8 (2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；284 K；25% PEG3350, 0.2M MAGNESIUM FORMATE, 1MM MALTOSE
Resolution 2.50 Å R-free 0.251
6QYO Structure of MBP-Mcl-1 in complex with compound 18a Deposited 2019-03-09 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded JLH (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；284 K；25% PEG3350, 0.2M MAGNESIUM FORMATE, 1MM MALTOSE
Resolution 2.10 Å R-free 0.221
6QZ7 Structure of MBP-Mcl-1 in complex with compound 8b Deposited 2019-03-11 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded JLE (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；284 K；25% PEG3350, 0.2M MAGNESIUM FORMATE, 1MM MALTOSE
Resolution 2.20 Å R-free 0.211
6YBJ Structure of MBP-Mcl-1 in complex with compound 3e Deposited 2020-03-17 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：K194A,K197A,R201A CL CHLORIDE ION × 1 OJW (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M BisTris buffer pH 6.5, 20% PegMME5K
Resolution 2.50 Å R-free 0.237
6YBK Structure of MBP-Mcl-1 in complex with compound 4d Deposited 2020-03-17 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：K194A,K197A,R201A CL CHLORIDE ION × 1 OK2 (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；292 K；0.1M BisTris buffer pH 6.5, 20% PegMME5K
Resolution 2.00 Å R-free 0.235
6YBL Structure of MBP-Mcl-1 in complex with compound 9m Deposited 2020-03-17 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：K194A,K197A,R201A OK5 (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M BisTris buffer pH 6.5, 20% PegMME5K
Resolution 2.10 Å R-free 0.228
7ZNJ Structure of an ALYREF-exon junction complex hexamer Deposited 2022-04-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 24 PDB declaration: 30-meric
Chain D 23–392（370 aa）
Chain I 23–392（370 aa）
Chain N 23–392（370 aa）
Chain d 23–392（370 aa）
Chain i 23–392（370 aa）
Chain n 23–392（370 aa）
Not recorded MG MAGNESIUM ION × 6 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 6 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.9
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.40 Å
8C8F Crystal structure of the E. coli maltodextrin-binding protein Deposited 2023-01-19 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–396（396 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.1 M Tris pH 7.4, 30 % PEG Smear Broad, 0.1 M NaBr and 0.1 M KSCN
Resolution 1.15 Å R-free 0.152
8ETB the crystal structure of a rationally designed zinc sensor based on maltose binding protein - Zn binding conformation Deposited 2022-10-16 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded ZN ZINC ION × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.2M MgCl2 , 0.1 M Bis-Tris, pH 6.5, 25% PEG 3350.
Resolution 1.63 Å R-free 0.234
8F23 The crystal structure of a rationally designed zinc sensor based on maltose binding protein - Apo conformation Deposited 2022-11-06 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.2M sodium formate, pH 7.0, 20% PEG 3350
Resolution 1.93 Å R-free 0.229
8GCR HPV16 E6-E6AP-p53 complex Deposited 2023-03-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–396（370 aa）
Mutation：C87S,C104S,C118S,C147S ZN ZINC ION × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.38 Å
8H68 Crystal structure of Caenorhabditis elegans NMAD-1 in complex with NOG and Mg(II) Deposited 2022-10-16 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 GLY GLYCINE × 1 OGA N-OXALYLGLYCINE × 1 MG MAGNESIUM ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.1 M HEPES, pH 7.5, 10% (w/v) PEG 6000, 10% (v/v) MPD
Resolution 2.20 Å R-free 0.242
8SOJ Cryo-EM structure of human CST bound to POT1(ESDL)/TPP1 in the absence of telomeric ssDNA Deposited 2023-04-28 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.80 Å
8SOK Cryo-EM structure of human CST bound to POT1(ESDL)/TPP1 in the presence of telomeric ssDNA Deposited 2023-04-28 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: hexameric
Chain A 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.10 Å
8SQA The cryo-EM structure of the EcBAM/EspP(beta8-12) complex Deposited 2023-05-04 Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain F 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.20 Å
8SVY MBP-Mcl1 in complex with ligand 10 Deposited 2023-05-17 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded EDO 1,2-ETHANEDIOL × 4 GOL GLYCEROL × 1 WUC (15P)-17-chloro-33-fluoro-12-[(2-methoxyethoxy)methyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,13,14,22-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11(15),12,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；285 K；19% (w/v) PEG3350, 0.17M Mg formate
Resolution 1.47 Å R-free 0.206
8T2I Negative stain EM assembly of MYC, JAZ, and NINJA complex Deposited 2023-06-06 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain M 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.8
Resolution 10.40 Å
8W23 Cryo-EM structure of human tankyrase 2 SAM-PARP filament bound to compound, TDI-2804 (consensus map). Deposited 2024-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 20 PDB declaration: eicosameric
Chain A 28–392（365 aa）
Chain B 28–392（365 aa）
Chain C 28–392（365 aa）
Chain D 28–392（365 aa）
Chain E 28–392（365 aa）
Chain F 28–392（365 aa）
Chain G 28–392（365 aa）
Chain H 28–392（365 aa）
Chain I 28–392（365 aa）
Chain K 28–392（365 aa）
Chain L 28–392（365 aa）
Chain M 28–392（365 aa）
Chain N 28–392（365 aa）
Chain O 28–392（365 aa）
Chain P 28–392（365 aa）
Chain Q 28–392（365 aa）
Chain R 28–392（365 aa）
Chain S 28–392（365 aa）
Chain T 28–392（365 aa）
Chain U 28–392（365 aa）
Not recorded ZN ZINC ION × 20 A1AE4 N-{2-[4-(2-hydroxypropan-2-yl)phenyl]-4-oxo-1,4-dihydroquinazolin-7-yl}-4-methoxy-6-phenylpyridine-3-carboxamide × 20 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Sample was purified and concentrated in the above buffer but exchanged prior to vitrification to a low-salt (minimal) buffer composed of 20 millimolar HEPES pH 7.5. Sample buffer was exchanged on grid via manual side-blotting.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.28 Å
8W25 Cryo-EM structure of human tankyrase 2 SAM-PARP filament bound to compound, TDI-2804 (focused refinement map). Deposited 2024-02-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain D 28–392（365 aa）
Chain Q 28–392（365 aa）
Not recorded ZN ZINC ION × 2 A1AE4 N-{2-[4-(2-hydroxypropan-2-yl)phenyl]-4-oxo-1,4-dihydroquinazolin-7-yl}-4-methoxy-6-phenylpyridine-3-carboxamide × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Sample was purified and concentrated in the above buffer but exchanged prior to vitrification to a low-salt (minimal) buffer composed of 20 millimolar HEPES pH 7.5. Sample buffer was exchanged on grid via manual side-blotting.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.42 Å
8W27 Cryo-EM structure of human tankyrase 2 SAM-PARP filament bound to compound, XAV (consensus map). Deposited 2024-02-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 20 PDB declaration: 20-meric
Chain A 28–392（365 aa）
Chain B 28–392（365 aa）
Chain C 28–392（365 aa）
Chain D 28–392（365 aa）
Chain E 28–392（365 aa）
Chain F 28–392（365 aa）
Chain G 28–392（365 aa）
Chain H 28–392（365 aa）
Chain I 28–392（365 aa）
Chain J 28–392（365 aa）
Chain L 28–392（365 aa）
Chain M 28–392（365 aa）
Chain N 28–392（365 aa）
Chain O 28–392（365 aa）
Chain P 28–392（365 aa）
Chain Q 28–392（365 aa）
Chain R 28–392（365 aa）
Chain S 28–392（365 aa）
Chain T 28–392（365 aa）
Chain U 28–392（365 aa）
Not recorded XAV 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol × 20 ZN ZINC ION × 20 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Sample was purified and concentrated in the above buffer but exchanged prior to vitrification to a low-salt (minimal) buffer composed of 20 millimolar HEPES pH 7.5. Sample buffer was exchanged on grid via manual side-blotting.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.21 Å
8W28 Cryo-EM structure of human tankyrase 2 SAM-PARP filament bound to compound, XAV (focused refinement map). Deposited 2024-02-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain D 28–392（365 aa）
Chain Q 28–392（365 aa）
Not recorded XAV 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol × 2 ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Sample was purified and concentrated in the above buffer but exchanged prior to vitrification to a low-salt (minimal) buffer composed of 20 millimolar HEPES pH 7.5. Sample buffer was exchanged on grid via manual side-blotting.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.19 Å
8Y20 Crystal structure of the Mcl-1 in complex with A-1210477 Deposited 2024-01-25 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：E173A,N174A,K240A,K391A,K394A,R398A A1LXV A-1210477 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；25% PEG 3350, 0.2M Magnesium Formate, 1mM Maltose
Resolution 2.23 Å R-free 0.243
9GIV Structure of the human mitochondrial pyruvate carrier inhibited by a UK5099-derivative Deposited 2024-08-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 33–392（360 aa）
Not recorded A1IL4 (2E)-2-cyano-3-[(5M)-5-(2-nitrophenyl)furan-2-yl]prop-2-enoic acid × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.65 Å
9GIW Structure of the human mitochondrial pyruvate carrier inhibited by zaprinast Deposited 2024-08-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 33–392（360 aa）
Not recorded A1IL3 5-(2-propoxyphenyl)-3,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.92 Å
9GIX Structure of the human mitochondrial pyruvate carrier in the apo-state Deposited 2024-08-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 33–392（360 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.65 Å
9GIY Structure of the human mitochondrial pyruvate carrier inhibited by mitoglitazone Deposited 2024-08-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 33–392（360 aa）
Not recorded LO7 Mitoglitazone × 1 A1IMZ Mitoglitazone (R-form) × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.79 Å
9H2Q Stabilized complex of Chlamydia trachomatic efector CT622 in complex with human WD40 domain of ATG16L1 Deposited 2024-10-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–395（369 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 6
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.80 Å
9I3P CryoEM structure of the Themis:Grb2 complex with bound ProMacrobody 256 Deposited 2025-01-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 33–392（360 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8；25 mM Tris pH8, 100 mM NaCl, 2 mM DTT with added 8 mM CHAPSO for cryogrid sample preparation
cryo-EM vitrification conditions Cryogen ETHANE；Leica EM GP2, 5 s blotting time
Resolution 3.30 Å
9IAZ CryoEM structure of the Themis:Grb2 complex with bound ProMacrobody 256, local refinement Deposited 2025-02-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 33–392（360 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8；25 mM Tris pH8, 100 mM NaCl, 2 mM DTT with added 8 mM CHAPSO for cryogrid sample preparation
cryo-EM vitrification conditions Cryogen ETHANE；Leica EM GP2, 5 s blotting time
Resolution 3.20 Å
9MAN Structure of Norrin in complex with human Tspan12 large extracellular loop (Tspan12 LEL) Deposited 2025-03-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 26–392（367 aa）
Chain B 26–392（367 aa）
Chain C 26–392（367 aa）
Chain D 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.78 Å
9ME8 Co-crystal structure of maltose binding protein (MBP)-human SENP3 fusion protein in complex with PELP1 peptide Deposited 2024-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–384（358 aa）
Mutation：C532S NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.085M HEPES pH 7.5, 17-20% (v/v) PEG8000
Resolution 2.93 Å R-free 0.232
9QBJ Legobody dimer Deposited 2025-03-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 8 PDB declaration: octameric
Chain I 27–384（358 aa）
Chain J 27–384（358 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.20 Å
9UYY Crystal structure of the indoleamine 2,3-dioxygenagse 2 (IDO2) complexed with L-Trp Deposited 2025-05-16 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 5 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 TRP TRYPTOPHAN × 1 CYN CYANIDE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；PEG 3350, Sodium citrate tribasic dihydrate
Resolution 2.25 Å R-free 0.300
9UYZ Crystal structure of the indoleamine 2,3-dioxygenagse 2 (IDO2) complexed with 5-HT Deposited 2025-05-16 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded SRO SEROTONIN × 1 EDO 1,2-ETHANEDIOL × 3 PEG DI(HYDROXYETHYL)ETHER × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CYN CYANIDE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；PEG 3350, Sodium citrate tribasic dihydrate
Resolution 2.45 Å R-free 0.264
9UZ0 Crystal structure of the indoleamine 2,3-dioxygenagse 2 (IDO2) as resting state Deposited 2025-05-16 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 CIT CITRIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；PEG 3350, Sodium citrate tribasic dihydrate
Resolution 2.45 Å R-free 0.248
9UZ1 Crystal structure of the indoleamine 2,3-dioxygenagse 2 (IDO2) H143Y mutant complexed with L-Trp Deposited 2025-05-16 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：H143Y TRP TRYPTOPHAN × 1 PEG DI(HYDROXYETHYL)ETHER × 1 CIT CITRIC ACID × 1 EDO 1,2-ETHANEDIOL × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CYN CYANIDE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；PEG 3350, Sodium citrate tribasic dihydrate
Resolution 2.35 Å R-free 0.236
9UZ2 Crystal structure of the indoleamine 2,3-dioxygenagse 2 (IDO2) complexed with Cyanide ion Deposited 2025-05-16 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded CIT CITRIC ACID × 1 EDO 1,2-ETHANEDIOL × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CYN CYANIDE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；PEG 3350, Sodium citrate tribasic dihydrate
Resolution 2.55 Å R-free 0.238
9UZ3 Crystal structure of the indoleamine 2,3-dioxygenagse 2 (IDO2) complexed with D-Trp Deposited 2025-05-16 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CYN CYANIDE ION × 1 DTR D-TRYPTOPHAN × 1 EDO 1,2-ETHANEDIOL × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；PEG 3350, Sodium citrate tribasic dihydrate
Resolution 2.50 Å R-free 0.275
9UZ4 Crystal structure of the indoleamine 2,3-dioxygenagse 2 (IDO2) complexed with 5-methoxy-L-Trp Deposited 2025-05-16 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded A1A2Y 5-methoxy-L-tryptophan × 1 EDO 1,2-ETHANEDIOL × 12 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CYN CYANIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；PEG 3350, Sodium citrate tribasic dihydrate
Resolution 2.50 Å R-free 0.280
9UZ5 Crystal structure of the indoleamine 2,3-dioxygenagse 2 (IDO2) complexed with 5-methyl-L-Trp Deposited 2025-05-16 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded EDO 1,2-ETHANEDIOL × 5 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CYN CYANIDE ION × 1 D0Q 5-methyl-L-tryptophan × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；PEG 3350, Sodium citrate tribasic dihydrate
Resolution 2.50 Å R-free 0.229
9VFI Structure of hTRPC3 solubilized with 4F peptide at 2.72 angstrom Deposited 2025-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded CA CALCIUM ION × 8 ZN ZINC ION × 4 A1L5I [(2~{S})-2-[(~{E})-octadec-9-enoyl]oxy-3-oxidanyl-propyl] octadec-9-enoate × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.72 Å
9W3K GPR151-Legobody complex Deposited 2025-07-29 Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 27–394（368 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.08 Å

109 other PDB entries and 148 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MALE_ECO57
Isoform —
PDB entities 4
Chains and sequence ranges Author chain T； PDBConstruct 246–611； UniProt 27–392

Tissue factor,Maltose/maltodextrin-binding periplasmic protein

Escherichia coli

UniProt P13726

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Heteromer Protein × 7 PDB declaration: heptameric（7） Consistent with protein copy count Chain T； UniProt 38–276 Not recorded Factor VII light chain × 1 （P08709） Factor X light chain × 1 （P00742） Coagulation factor VII Heavy Chain × 1 （P08709） Tissue factor pathway inhibitor × 1 （P10646） Human 10H10 antibody Fab heavy chain × 1 Human 10H10 antibody Fab light chain × 1 MG MAGNESIUM ION × 4 CA CALCIUM ION × 12 BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.4 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.70 Å

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 9P0X Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1AHW A COMPLEX OF EXTRACELLULAR DOMAIN OF TISSUE FACTOR WITH AN INHIBITORY FAB (5G9) Deposited 1997-04-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain C 33–251（219 aa） Fragment：EXTRACELLULAR DOMAIN
Chain F 33–251（219 aa） Fragment：EXTRACELLULAR DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；TF-5G9 CRYSTAL WERE GROWN IN 1.7-2.0M AMMONIUM SULFATE, 0.1M SODIUM CITRATE, PH 5.0-5.5, 0.2% 2-METHYL-2,4-PENTANE-DIOL (MPD), AND 2% PEG 600 AT AN EQUIMOLAR 5G9:TF RATIO. THE CRYSTALS GREW EXTREMELY SLOWLY, TAKING 6-9 MONTHS TO REACH A MAXIMAL SIZE OF 0.4 X 0.4 X 0.8 MM3., pH 7.0
Resolution 3.00 Å R-free 0.285
1BOY EXTRACELLULAR REGION OF HUMAN TISSUE FACTOR Deposited 1996-01-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 33–251（219 aa） Fragment：EXTRACELLULAR DOMAIN, RESIDUES 1 - 219
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å
1DAN Complex of active site inhibited human blood coagulation factor VIIA with human recombinant soluble tissue factor Deposited 1997-03-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain T 37–116（80 aa）
Chain U 122–242（121 aa）
Not recorded BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 0Z6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide × 1 CAC CACODYLATE ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.218
1FAK HUMAN TISSUE FACTOR COMPLEXED WITH COAGULATION FACTOR VIIA INHIBITED WITH A BPTI-MUTANT Deposited 1998-12-28 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain T 37–242（206 aa）
Not recorded GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；pH 5.6
Resolution 2.10 Å
1J9C Crystal Structure of tissue factor-factor VIIa complex Deposited 2001-05-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–242（210 aa）
Not recorded GLC alpha-D-glucopyranose × 1 FUL beta-L-fucopyranose × 1 0Z6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；2% PEG 400, 2% 2-propanol, 2% PEG 4000, 12.5mM Calcium chloride, 2.0M ammonium sulfate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.90 Å R-free 0.299
1JPS Crystal structure of tissue factor in complex with humanized Fab D3h44 Deposited 2001-08-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–251（219 aa） Fragment：extracellular domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PEG 6000, sodium chloride, sodium-HEPES buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.85 Å R-free 0.224
1O5D Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) Deposited 2003-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 34–251（218 aa）
Mutation：residues 2-219 CR9 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.2；290 K；0.1 M citrate, 16-18% PEG 5K MME, pH 7.2, vapor diffusion at 290 K
Resolution 2.05 Å R-free 0.262
1TFH EXTRACELLULAR DOMAIN OF HUMAN TISSUE FACTOR Deposited 1997-04-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 33–251（219 aa） Fragment：EXTRACELLULAR DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；278 K；CRYSTAL CAN BE GROWN FROM 20MM PHOSPHATE BUFFER, PH 6.5, AT A 40MG/ML PROTEIN CONCENTRATION. THE CRYSTALS USED FOR DIFFRACTION STUDIES WERE IN FACT CRYSTALLIZED UNEXPECTEDLY IN 2 DAYS IN AN NMR TUBE CONTAINING A SOLUTION OF APPROXIMATELY 3.5MM OF UNIFORMLY 15N-ENRICHED (~99 ATOM%) TISSUE FACTOR (AT ~85 MG/ML) IN 20MM KNA2PO4, 0.02%NAN3, 10% D2O AND 90% H2O, PH 7.0 AT 5 DEGREE., temperature 278K
Resolution 2.40 Å R-free 0.297
1TFH EXTRACELLULAR DOMAIN OF HUMAN TISSUE FACTOR Deposited 1997-04-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 33–251（219 aa） Fragment：EXTRACELLULAR DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；278 K；CRYSTAL CAN BE GROWN FROM 20MM PHOSPHATE BUFFER, PH 6.5, AT A 40MG/ML PROTEIN CONCENTRATION. THE CRYSTALS USED FOR DIFFRACTION STUDIES WERE IN FACT CRYSTALLIZED UNEXPECTEDLY IN 2 DAYS IN AN NMR TUBE CONTAINING A SOLUTION OF APPROXIMATELY 3.5MM OF UNIFORMLY 15N-ENRICHED (~99 ATOM%) TISSUE FACTOR (AT ~85 MG/ML) IN 20MM KNA2PO4, 0.02%NAN3, 10% D2O AND 90% H2O, PH 7.0 AT 5 DEGREE., temperature 278K
Resolution 2.40 Å R-free 0.297
1UJ3 Crystal structure of a humanized Fab fragment of anti-tissue-factor antibody in complex with tissue factor Deposited 2003-07-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 38–242（205 aa） Fragment：RESIDUES 606-810
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2-propanol, PEG4000, HEPES-Na, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.10 Å R-free 0.227
1W0Y tf7a_3771 complex Deposited 2004-05-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–242（210 aa） Fragment：EXTRACELLULAR DOMAIN, RESIDUES 38-242
Not recorded 771 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE × 1 CA CALCIUM ION × 9 CAC CACODYLATE ION × 1 FUC alpha-L-fucopyranose × 1 BGC beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 2.50 Å R-free 0.258
1W2K tf7a_4380 complex Deposited 2004-07-06 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–242（210 aa） Fragment：EXTRACELLULAR DOMAIN, RESIDUES 38-242
Not recorded 380 (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE × 1 CA CALCIUM ION × 9 CAC CACODYLATE ION × 1 FUC alpha-L-fucopyranose × 1 BGC beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 3.00 Å R-free 0.257
1WQV Human Factor Viia-Tissue Factor Complexed with propylsulfonamide-D-Thr-Met-p-aminobenzamidine Deposited 2004-10-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–250（218 aa） Fragment：residues 1-218
Not recorded BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 PSM N-[DIHYDROXY(PROPYL)-LAMBDA~4~-SULFANYL]THREONYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}METHIONINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 5000, sodium chloride, cacodylate, calcium chloride, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.50 Å R-free 0.272
1WSS Human Factor Viia-Tissue Factor in Complex with peptide-mimetic inhibitor that has two charged groups in P2 and P4 Deposited 2004-11-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–250（218 aa） Fragment：RESIDUES 1-218
Not recorded BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 3CB N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-5-IMINOORNITHINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 5000, sodium chloride, cacodylate, calcium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.60 Å R-free 0.282
1WTG Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-biphenylalanine-Gln-p-aminobenzamidine Deposited 2004-11-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–250（218 aa） Fragment：RESIDUES 1-218
Not recorded BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 3BP 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 5000, sodium chloride, cacodylate, calcium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.20 Å R-free 0.251
1WUN Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-Trp-Gln-p-aminobenzamidine Deposited 2004-12-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–250（218 aa） Fragment：RESIDUES 1-218
Not recorded BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 P5B N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 5000, sodium chloride, cacodylate, calcium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.40 Å R-free 0.264
1WV7 Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-5-propoxy-Trp-Gln-p-aminobenzamidine Deposited 2004-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–250（218 aa） Fragment：RESIDUES 1-218
Not recorded BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 5PI N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 5000, sodium chloride, cacodylate, calcium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.70 Å R-free 0.273
1Z6J Crystal Structure of a ternary complex of Factor VIIa/Tissue Factor/Pyrazinone Inhibitor Deposited 2005-03-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–243（211 aa） Fragment：Residues 33-243
Not recorded CA CALCIUM ION × 2 MG MAGNESIUM ION × 1 PY3 5-[AMINO(IMINO)METHYL]-2-[({[6-[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-1(2H)-YL]ACETYL}AMINO)METHYL]-N-PYRIDIN-4-YLBENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；298 K；50 mM citrate, 16-24% PEG 4K, 150 mM MgCl2, pH 7.5, VAPOR DIFFUSION, temperature 298K
Resolution 2.00 Å R-free 0.258
2A2Q Complex of Active-site Inhibited Human Coagulation Factor VIIa with Human Soluble Tissue Factor in the Presence of Ca2+, Mg2+, Na+, and Zn2+ Deposited 2005-06-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 38–242（205 aa） Fragment：residues 38-242
Not recorded GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 MG MAGNESIUM ION × 3 CA CALCIUM ION × 6 NA SODIUM ION × 1 ZN ZINC ION × 2 CL CHLORIDE ION × 3 PBZ P-AMINO BENZAMIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；298 K；PEG 4000, magnesium chloride, sodium chloride, calcium chloride, zinc chloride, Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 7.00
Resolution 1.80 Å R-free 0.259
2AEI Crystal structure of a ternary complex of factor VIIa/tissue factor and 2-[[6-[3-(aminoiminomethyl)phenoxy]-3,5-difluro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl]oxy]-benzoic acid Deposited 2005-07-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–243（211 aa） Fragment：RESIDUES 33-243
Not recorded CA CALCIUM ION × 8 CAC CACODYLATE ION × 1 03R 2-({6-{3-[AMINO(IMINO)METHYL]PHENOXY}-3,5-DIFLUORO-4-[(1-METHYL-3-PHENYLPROPYL)AMINO]-2-PYRIDINYL}OXY)BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG 8000,CACODYLATE, GLYCEROL, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.52 Å R-free 0.297
2AER Crystal Structure of Benzamidine-Factor VIIa/Soluble Tissue Factor complex. Deposited 2005-07-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 38–242（205 aa）
Not recorded GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 MG MAGNESIUM ION × 3 CA CALCIUM ION × 6 NA SODIUM ION × 1 ZN ZINC ION × 2 CL CHLORIDE ION × 3 BEN BENZAMIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；Tris, Sodium Chloride, Calcium Chloride, PEG 4000, ADA, Magnesium Chloride, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.87 Å R-free 0.256
2B7D Factor VIIa Inhibitors: Chemical Optimization, Preclinical Pharmacokinetics, Pharmacodynamics, and Efficacy in a Baboon Thrombosis Model Deposited 2005-10-04 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 34–251（218 aa）
Not recorded C1B (2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；290 K；0.1 M citrate, 16-18 % PEG 5K MME, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 290.0K
Resolution 2.24 Å R-free 0.289
2B8O Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor VIIa/Soluble Tissue Factor Complex Deposited 2005-10-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 38–242（205 aa）
Not recorded GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 6 MG MAGNESIUM ION × 2 0GJ L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide × 1 NA SODIUM ION × 1 ZN ZINC ION × 2 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；Tris, sodium chloride, calcium chloride, PEG 4000, ADA, magnesium chloride, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.80 Å R-free 0.285
2C4F crystal structure of factor VII.stf complexed with pd0297121 Deposited 2005-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain T 38–112（75 aa） Fragment：FACTOR III, RESIDUES 38-112
Chain U 123–242（120 aa） Fragment：FACTOR III, RESIDUES 123-242
Not recorded CA CALCIUM ION × 5 GIL 2-{[6-{3-[AMINO(IMINO)METHYL]PHENOXY}-4-(DIISOPROPYLAMINO)-3,5-DIFLUOROPYRIDIN-2-YL]OXY}-5-[(ISOBUTYLAMINO)CARBONYL]BEN ZOIC ACID × 1 GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.72 Å
2CEF Phosphorylation of the Cytoplasmic Tail of Tissue Factor and its Role in Modulating Structure and Binding Affinity. Deposited 2006-02-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 277–295（19 aa） Fragment：TISSUE FACTOR CYTOPLASMIC DOMAIN, RESIDUES 277-295
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6；285 K；Ionic strength (raw mmCIF value) 0
NMR sample composition 90% WATER 10% D2O
Resolution not provided
2CEH Phosphorylation of the Cytoplasmic Tail of Tissue Factor and its Role in Modulating Structure and Binding Affinity Deposited 2006-02-06 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 277–295（19 aa） Fragment：TISSUE FACTOR CYTOPLASMIC DOMAIN, RESIDUES 277-295
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6；285 K；Ionic strength (raw mmCIF value) 0；Pressure 1.0
NMR measurement conditions pH 6；285 K；Ionic strength (raw mmCIF value) 0；Pressure 1.0
NMR sample composition 90% WATER 10% D2O
Resolution not provided
2CEZ Phosphorylation of the Cytoplasmic Tail of Tissue Factor and its Role in Modulating Structure and Binding Affinity Deposited 2006-02-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 277–295（19 aa） Fragment：TISSUE FACTOR CYTOPLASMIC DOMAIN, RESIDUES 277-295
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6；285 K；Ionic strength (raw mmCIF value) 0；Pressure 1.0
NMR sample composition 90% WATER 10% D2O
Resolution not provided
2CFJ Phosphorylation of the Cytoplasmic Tail of Tissue Factor and its Role in Modulating Structure and Binding Affinity Deposited 2006-02-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 277–295（19 aa） Fragment：TISSUE FACTOR CYTOPLASMIC DOMAIN, RESIDUES 277-295
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6；285 K；Ionic strength (raw mmCIF value) 0；Pressure 1.0
NMR sample composition 90% WATER 10% D2O
Resolution not provided
2EC9 Crystal structure analysis of human Factor VIIa , Souluble tissue factor complexed with BCX-3607 Deposited 2007-02-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain T 38–112（75 aa） Fragment：residues 38-112
Chain U 123–242（120 aa） Fragment：residues 91-210
Not recorded ASO 1,5-anhydro-D-glucitol × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 24X 2'-((5-CARBAMIMIDOYLPYRIDIN-2-YLAMINO)METHYL)-4-(ISOBUTYLCARBAMOYL)-4'-VINYLBIPHENYL-2-CARBOXYLIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；14% (w/v)PEG 4K, 0.1M MgCl2, 0.1M ADA buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.282
2F9B Discovery of Novel Heterocyclic Factor VIIa Inhibitors Deposited 2005-12-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 34–251（218 aa） Fragment：residues 34-251
Not recorded N1H {5-(5-AMINO-1H-PYRROLO[3,2-B]PYRIDIN-2-YL)-6-HYDROXY-3'-NITRO-BIPHENYL-3-YL]-ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；290 K；0.1 M CITRATE, 16-18% PEG5000 MME, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.54 Å R-free 0.286
2FIR Crystal structure of DFPR-VIIa/sTF Deposited 2005-12-30 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 38–242（205 aa）
Not recorded GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 MG MAGNESIUM ION × 3 CA CALCIUM ION × 6 0G7 D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide × 1 NA SODIUM ION × 1 ZN ZINC ION × 2 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；20% PEG 4000, 100 mM magnesium chloride, 200 mM sodium chloride, 10 mM calcium chloride, 20 uM zinc chloride , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.00 Å R-free 0.281
2FLB Discovery of a Novel Hydroxy Pyrazole Based Factor IXa Inhibitor Deposited 2006-01-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 34–251（218 aa） Fragment：residues 34-251
Not recorded 6NH 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；290 K；0.1 M CITRATE, 16-18% PEG5000 MME, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 290.0K
Resolution 1.95 Å R-free 0.280
2FLR Novel 5-Azaindole Factor VIIa Inhibitors Deposited 2006-01-06 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 34–251（218 aa） Fragment：residues 34-251
Not recorded 7NH [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；290 K；0.1 M CITRATE, 16-18% PEG5000 MME, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.35 Å R-free 0.259
2HFT THE CRYSTAL STRUCTURE OF THE EXTRACELLULAR DOMAIN OF HUMAN TISSUE FACTOR AT 1.7 ANGSTROMS RESOLUTION Deposited 1995-09-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 33–243（211 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；pH 7.5
Resolution 1.69 Å R-free 0.254
2PUQ Crystal structure of active site inhibited coagulation factor VIIA in complex with soluble tissue factor Deposited 2007-05-09 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain T 38–241（204 aa）
Not recorded BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；0.1 M sodium citrate, pH 5.6, 16.0 % (w/v) PEG 4000, 12 % (v/v) 1-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.05 Å R-free 0.273
2ZP0 Human factor viia-tissue factor complexed with benzylsulfonamide-D-ile-gln-P-aminobenzamidine Deposited 2008-06-20 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–250（218 aa） Fragment：RESIDUES 16-257
Not recorded BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 PI0 (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2R,3R)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；8 % PEG 5000, 0.1M sodium chloride, 0.005M calcium chloride, 0.1M cacodylate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.70 Å R-free 0.306
2ZWL Human factor viia-tissue factor complexed with highly selective peptide inhibitor Deposited 2008-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–250（218 aa） Fragment：UNP residues 33-250
Not recorded BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 567 2-[[(2R)-1-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]sulfamoyl]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；8% PEG 5000, 0.1M sodium chloride, 0.005M calcium chloride, 0.1M cacodylate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.20 Å R-free 0.267
2ZZU Human Factor VIIA-Tissue Factor Complexed with ethylsulfonamide-D-5-(3-carboxybenzyloxy)-Trp-Gln-p-aminobenzamidine Deposited 2009-02-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–250（218 aa） Fragment：UNP RESIDUES 33-250
Not recorded BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 359 3-[[3-[(2R)-3-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1H-indol-5-yl]oxymethyl]benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；8% PEG5000, 0.1M sodium chloride, 0.005M calcium chloride, 0.1M cacodylate, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
Resolution 2.50 Å R-free 0.273
3ELA Crystal structure of active site inhibited coagulation factor VIIA mutant in complex with soluble tissue factor Deposited 2008-09-21 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–241（209 aa） Fragment：UNP residues 33-241
Not recorded GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 1 0Z6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；100mM NaCitrate, 16%(w/v) PEG4000, 12%(v/v) 1-propanol, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.20 Å R-free 0.294
3TH2 Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ Deposited 2011-08-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 38–242（205 aa）
Not recorded BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 MG MAGNESIUM ION × 3 CA CALCIUM ION × 6 BEN BENZAMIDINE × 1 NA SODIUM ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；298 K；20% PEG 4000, 50 mM Tris-HCL, 50 mM N-(2-Acetamido)iminodiacetic acid, 150 mM NaCl, 5 mM Calcium Chloride, 2.5 mM Magnesium Chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.72 Å R-free 0.233
3TH3 Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ Deposited 2011-08-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 38–242（205 aa）
Not recorded FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 2 BGC beta-D-glucopyranose × 1 0GE N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-alpha-glutamyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；298 K；20% PEG 4000, 50 mM Tris-HCL, 50 mM N-(2-Acetamido)iminodiacetic acid, 150 mM NaCl, 2.5 mM Calcium Chloride, 1.25 mM Magnesium Chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.70 Å R-free 0.298
3TH4 Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ Deposited 2011-08-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 38–242（205 aa）
Not recorded BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 MG MAGNESIUM ION × 2 CA CALCIUM ION × 7 0GE N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-alpha-glutamyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide × 1 CL CHLORIDE ION × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；298 K；20% PEG 4000, 50 mM Tris-HCL, 50 mM N-(2-Acetamido)iminodiacetic acid, 150 mM NaCl, 45 mM Calcium Chloride, 5 mM Magnesium Chloride, pH 7.0, VAPOR DIFFUSION, temperature 298K
Resolution 1.80 Å R-free 0.235
4IBL Rubidium Sites in Blood Coagulation Factor VIIa Deposited 2012-12-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–251（219 aa）
Not recorded BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 MG MAGNESIUM ION × 3 CA CALCIUM ION × 4 RB RUBIDIUM ION × 6 BEN BENZAMIDINE × 1 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；20 mM Tris-HCL, 200mM RbCl, 5 mM Calcium Chloride, 45 mM Magnesium Chloride , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.80 Å R-free 0.215
4M7L Crystal structure of the complex between human tissue factor extracellular domain and antibody 10H10 FAB fragment Deposited 2013-08-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 37–245（209 aa） Fragment：extracellular domain (UNP residues 37-245)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 10.5；293 K；0.1 M CAPS, pH 10.5, 24% PEG8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.40 Å R-free 0.289
4YLQ Crystal Structure of a FVIIa-Trypsin Chimera (FT) in Complex with Soluble Tissue Factor Deposited 2015-03-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–251（219 aa） Fragment：UNP residues 33-251
Not recorded CA CALCIUM ION × 9 FUC alpha-L-fucopyranose × 1 TMA TETRAMETHYLAMMONIUM ION × 22 0Z7 N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide × 1 POL N-PROPANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；295 K；0.1M NaCitrate, 16.6% PEG 3350, 12.5% 1-Propanol, with seeding
Resolution 1.40 Å R-free 0.174
4Z6A Crystal Structure of a FVIIa-Trypsin Chimera (YT) in Complex with Soluble Tissue Factor Deposited 2015-04-04 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 36–242（207 aa） Fragment：unp residues 36-242
Not recorded BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 0Z6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide × 1 CA CALCIUM ION × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；295 K；0.1M NaCitrate, 16.6% PEG 3350, 12.5% 1-Propanol, with seeding
Resolution 2.25 Å R-free 0.240
4ZMA Crystal Structure of a FVIIa-Trypsin Chimera (ST) in Complex with Soluble Tissue Factor Deposited 2015-05-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–251（219 aa）
Not recorded CA CALCIUM ION × 8 BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 0Z6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide × 1 CAC CACODYLATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.1；295 K；0.1M Cacodylate,11% PEG 8000 , with seeding
Resolution 2.30 Å R-free 0.295
5W06 HUMAN TISSUE FACTOR IN COMPLEX WITH ANTIBODY M1587 Deposited 2017-05-30 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 37–245（209 aa） Fragment：EXTRACELLULAR DOMAIN (UNP residues 37-245)
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；0.1 M SODIUM ACETATE PH 4.5, 18% PEG 3K, 0.2 M AMMONIUM ACETATE
Resolution 2.60 Å R-free 0.235
6R2W Crystal structure of the super-active FVIIa variant VYT in complex with tissue factor Deposited 2019-03-19 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 33–242（210 aa）
Not recorded CA CALCIUM ION × 9 FUC alpha-L-fucopyranose × 1 TMA TETRAMETHYLAMMONIUM ION × 10 0Z7 N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；295 K；0.1 M sodium citrate, pH 5.6, 15.6 % (w/v) PEG 3350, 12 % (v/v) 1-Propanol
Resolution 1.25 Å R-free 0.194
8CN9 Factor VII binding Fab of the bispecific antibody HMB-001 in complex with Factor VII Deposited 2023-02-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 33–251（219 aa）
Not recorded CA CALCIUM ION × 2 BGC beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；293 K；0.15 M Cesium chloride 15% w/v Polyethylene glycol 3,350
Resolution 3.40 Å R-free 0.356
8CN9 Factor VII binding Fab of the bispecific antibody HMB-001 in complex with Factor VII Deposited 2023-02-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain J 33–251（219 aa）
Not recorded CA CALCIUM ION × 3 BGC beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；293 K；0.15 M Cesium chloride 15% w/v Polyethylene glycol 3,350
Resolution 3.40 Å R-free 0.356
8CN9 Factor VII binding Fab of the bispecific antibody HMB-001 in complex with Factor VII Deposited 2023-02-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain O 33–251（219 aa）
Not recorded CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；293 K；0.15 M Cesium chloride 15% w/v Polyethylene glycol 3,350
Resolution 3.40 Å R-free 0.356
8CN9 Factor VII binding Fab of the bispecific antibody HMB-001 in complex with Factor VII Deposited 2023-02-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain T 33–251（219 aa）
Not recorded CA CALCIUM ION × 2 BGC beta-D-glucopyranose × 1 CS CESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；293 K；0.15 M Cesium chloride 15% w/v Polyethylene glycol 3,350
Resolution 3.40 Å R-free 0.356
8QOD CRYSTAL STRUCTURE OF FVIIA IN COMPLEX WITH A BENZAMIDINE-BASED INHIBITOR Deposited 2023-09-28 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–243（243 aa）
Not recorded CA CALCIUM ION × 4 MG MAGNESIUM ION × 1 GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 WIZ 3-[2-bromanyl-4-[(1~{S})-1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]phenoxy]benzoic acid × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；The VIIa/sTF complex was crystallized using the sitting drop or the hanging drop vapor diffusion method. Specifically, the protein drop contained 4 mg/ml VIIa/sTF complex, 20 mm Tris-HCl, pH 7.5, 200 mm NaCl, 10 mm CaCl2, and 10 mm pAB or 10 mm benzamidine, whereas the reservoir solution contained 16-22% PEG 4000, 100 mm MgCl2, and 20 mm BisTris, pH 6.5. Drops were prepared by mixing 2 ul of protein solution with 2 ul of reservoir solution at 20 C. Crystals appeared within 7 days and were allowed to grow up to 14-20 days before being flash-frozen without additional cryoprotectant.
Resolution 1.57 Å R-free 0.214
8QQ6 CRYSTAL STRUCTURE OF FVIIA IN COMPLEX WITH A BENZAMIDINE-BASED INHIBITOR Deposited 2023-10-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–243（243 aa）
Not recorded CA CALCIUM ION × 2 MG MAGNESIUM ION × 1 GLC alpha-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CL CHLORIDE ION × 2 WSV 2-azanyl-~{N}-[[2-[2-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]amino]-1,3-oxazol-5-yl]phenyl]methyl]-~{N}-methyl-ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；The VIIa/sTF complex was crystallized using the sitting drop or the hanging drop vapor diffusion method. Specifically, the protein drop contained 4 mg/ml VIIa/sTF complex, 20 mm Tris-HCl, pH 7.5, 200 mm NaCl, 10 mm CaCl2, and 10 mm pAB or 10 mm benzamidine, whereas the reservoir solution contained 16-22% PEG 4000, 100 mm MgCl2, and 20 mm BisTris, pH 6.5. Drops were prepared by mixing 2 ul of protein solution with 2 ul of reservoir solution at 20 C. Crystals appeared within 7 days and were allowed to grow up to 14-20 days before being flash-frozen without additional cryoprotectant.
Resolution 1.87 Å R-free 0.259
8UUD BCX2627 complexed with human FVIIa and soluble Tissue Factor. Deposited 2023-11-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain T 38–112（75 aa）
Chain U 123–242（120 aa）
Not recorded BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 CA CALCIUM ION × 9 XGX (1P)-2'-[(4-carbamimidoylphenyl)carbamoyl]-4'-ethenyl-4-[(2-methylpropyl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；14% (w/v)PEG 4K, 0.1M MgCl2, 0.1M ADA buffer, pH 6.5, VAPOR DIFFUSION,
Resolution 2.40 Å R-free 0.265

52 other PDB entries and 56 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name TF_HUMAN
Isoform —
PDB entities 4
Chains and sequence ranges Author chain T； PDBConstruct 1–239； UniProt 38–276

Tissue factor pathway inhibitor

Homo sapiens

UniProt P10646

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Heteromer Protein × 7 PDB declaration: heptameric（7） Consistent with protein copy count Chain K； UniProt 40–107 Not recorded Factor VII light chain × 1 （P08709） Factor X light chain × 1 （P00742） Coagulation factor VII Heavy Chain × 1 （P08709） Tissue factor,Maltose/maltodextrin-binding periplasmic protein × 1 （P13726,P0AEY0） Human 10H10 antibody Fab heavy chain × 1 Human 10H10 antibody Fab light chain × 1 MG MAGNESIUM ION × 4 CA CALCIUM ION × 12 BGC beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.4 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.70 Å

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 9P0X Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1ADZ THE SOLUTION STRUCTURE OF THE SECOND KUNITZ DOMAIN OF TISSUE FACTOR PATHWAY INHIBITOR, NMR, 30 STRUCTURES Deposited 1997-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 107–182（76 aa） Fragment：FACTOR XA-BINDING DOMAIN (DOMAIN II)
Mutation：N-TERMINAL INS(DYKDDDDKL) No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 4.5；310 K；Pressure 1
Resolution not provided
1IRH The Solution Structure of The Third Kunitz Domain of Tissue Factor Pathway Inhibitor Deposited 2001-10-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 210–270（61 aa） Fragment：the third kunitz domain
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6；298 K；Ionic strength (raw mmCIF value) 0.1；Pressure ambient
NMR sample composition 1mM the third kunitz domain of tissue factor pathway inhibitor U-15N; 20mM Na-phosphate buffer; 90% H2O, 10% D2O | 90% H2O/10% D2O
NMR sample composition 1mM the third kunitz domain of tissue factor pathway inhibitor U-15N, 13C; 20mM Na-phosphate buffer; 90% H2O, 10% D2O | 90% H2O/10% D2O
Resolution not provided
1TFX COMPLEX OF THE SECOND KUNITZ DOMAIN OF TISSUE FACTOR PATHWAY INHIBITOR WITH PORCINE TRYPSIN Deposited 1997-01-21 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 121–178（58 aa） Fragment：FACTOR XA-BINDING DOMAIN, DOMAIN II
Not recorded CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；pH 8.0
Resolution 2.60 Å
1TFX COMPLEX OF THE SECOND KUNITZ DOMAIN OF TISSUE FACTOR PATHWAY INHIBITOR WITH PORCINE TRYPSIN Deposited 1997-01-21 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 121–178（58 aa） Fragment：FACTOR XA-BINDING DOMAIN, DOMAIN II
Not recorded CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；pH 8.0
Resolution 2.60 Å
4DTG Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model Deposited 2012-02-21 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 119–178（60 aa） Fragment：Kunitz-type protease inhibitor domain 2 (UNP residues 119-178)
Not recorded GOL GLYCEROL × 10 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 PGE TRIETHYLENE GLYCOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；295 K；0.05 M CALCIUM CHLORIDE, 0.1 M MES, pH 6.0, 45% V/V PEG 200, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 1.80 Å R-free 0.236
5NMV Crystal structure of 2F22 Fab fragment against TFPI1 Deposited 2017-04-07 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 29–107（79 aa）
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20 % PEG 3350 200 mM Potassium formate
Resolution 1.65 Å R-free 0.202
6BX8 Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant (TFPI1-KD1-K15R-I17C-I34C) Deposited 2017-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 50–107（58 aa）
Mutation：K64R, M66C, I83C SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；0.2M Lithium Sulfate, 0.1M BIS-Tris-HCl pH 4.6, 25% v/v PEG 3350 (Anatrace Top96-27)
Resolution 1.98 Å R-free 0.221
6BX8 Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant (TFPI1-KD1-K15R-I17C-I34C) Deposited 2017-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 50–107（58 aa）
Mutation：K64R, M66C, I83C SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；0.2M Lithium Sulfate, 0.1M BIS-Tris-HCl pH 4.6, 25% v/v PEG 3350 (Anatrace Top96-27)
Resolution 1.98 Å R-free 0.221
6BX8 Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant (TFPI1-KD1-K15R-I17C-I34C) Deposited 2017-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 50–107（58 aa）
Mutation：K64R, M66C, I83C SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；0.2M Lithium Sulfate, 0.1M BIS-Tris-HCl pH 4.6, 25% v/v PEG 3350 (Anatrace Top96-27)
Resolution 1.98 Å R-free 0.221
6BX8 Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant (TFPI1-KD1-K15R-I17C-I34C) Deposited 2017-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 50–107（58 aa）
Mutation：K64R, M66C, I83C SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；0.2M Lithium Sulfate, 0.1M BIS-Tris-HCl pH 4.6, 25% v/v PEG 3350 (Anatrace Top96-27)
Resolution 1.98 Å R-free 0.221
7V1N Structure of the Clade 2 C. difficile TcdB in complex with its receptor TFPI Deposited 2021-08-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain K 1–251（251 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.20 Å

7 other PDB entries and 11 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name TFPI1_HUMAN
Isoform —
PDB entities 5
Chains and sequence ranges Author chain K； PDBConstruct 1–68； UniProt 40–107

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 9p0x

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 9p0x
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2. Structure Basics 2. Structure Basics

Entry ID entry_id9p0x
Deposition date deposition_date2025-06-07
Structure title titleNanodisc-embedded human TF/FVIIa/XK1 in complex with 10H10 Fab (nanodisc-subtracted)
Keywords keywordscomplex, nanodisc, blood clotting; BLOOD CLOTTING
Experimental Method methodELECTRON MICROSCOPY
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier40.43 Å
Radius of gyration Rg (electron density) rg_electron39.93 Å
Forward intensity I(0) i0313716000.00
Molecular weight molecular_weight139070.0 kDa
Excluded volume excluded_volume171740 ų
Envelope volume envelope_volume240470 ų
Hydration-shell volume shell_volume51384 ų
Envelope diameter envelope_diameter126.3 Å
Shell Rg shell_rg44.27 Å
Envelope Rg envelope_rg39.09 Å
Shape Rg shape_rg39.86 Å
Total Rg total_rg40.41 Å
Total atoms total_atoms9723
Residues n_residues1216
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax126.3 Å
Rg (real space) rg_real40.33 Å
Rg uncertainty (real space) rg_real_error0.90 Å
I(0) (real space) i0_real3.1370e+08
I(0) uncertainty (real space) i0_real_error4.6630e+06
Rg (reciprocal space) rg_reciprocal40.43 Å
I(0) (reciprocal space) i0_reciprocal313700000.0000
Solution quality estimate total_estimate0.9115
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary51.8 Å
Skewness Skewness skewness0.108
Kurtosis Kurtosis kurtosis-0.719
Angular range angular_range— – 0.1950 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha20690000.0000
Real-space data points n_real_points40
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.975; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.924
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (11)

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8. Citations (1)

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9. Files and Curves (10)