EC 3.4.21.27 - coagulation factor XIa

3D structures of EC 3.4.21.27 - coagulation factor XIa in Protein Data Bank

updated: 6 January 2022, 2:15

1. 3bg8: Crystal Structure of Factor Xia in Complex with Clavatadine a
2. 1xx9: Crystal Structure of The Fxia Catalytic Domain in Complex with ECOTINM84R
3. 1xxd: Crystal Structure of The Fxia Catalytic Domain in Complex with Mutated Ecotin
4. 1xxf: Crystal Structure of The Fxia Catalytic Domain in Complex with Ecotin Mutant (ecotinp)
5. 1zhm: Crystal Structure of The Catalytic Domain of The Coagulation Factor Xia in Complex with Benzamidine (S434A- T475A-K437 Mutant)
6. 1zhp: Crystal Structure of The Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-K505 Mutant)
7. 1zhr: Crystal Structure of The Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-C482S- K437A Mutant)
8. 1zjd: Crystal Structure of The Catalytic Domain of Coagulation Factor XI in Complex with Kunitz Protease Inhibitor Domain of Protease Nexin II
9. 1zlr: Factor XI Catalytic Domain Complexed with 2-guanidino-1-(4- (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl Nicotinate
10. 1zmj: Crystal Structure of The Catalytic Domain of Factor XI in Complex with 4-(guanidinomethyl)-phenylboronic Acid
11. 1zml: Crystal Structure of The Catalytic Domain of Factor XI in Complex with (r)-1-(4-(4-(hydroxymethyl)-1,3,2- Dioxaborolan-2-yl)phenethyl)guanidine
12. 1zmn: Crystal Structure of The Catalytic Domain of Coagulation Factor XI in Complex with (r)-1-(4-(4-(hydroxymethyl)-1,3, 2-dioxaborolan-2-yl)phenyl)guanidine
13. 1zom: Crystal Structure of The Catalytic Domain of Coagulation Factor XI in Complex with a Peptidomimetic Inhibitor
14. 1zpb: Crystal Structure of The Catalytic Domain of Coagulation Factor XI in Complex with 4-methyl-pentanoic Acid {1-[4- Guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl- Propyl}-amide
15. 1zpc: Crystal Structure of The Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-chloro-phenyl)-2-hydroxy- Acetylamino]-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]- 3-methyl-butyramide
16. 1zpz: Factor XI Catalytic Domain Complexed with N-((r)-1-(4- Bromophenyl)ethyl)urea-asn-val-arg-alpha-ketothiazole
17. 1zrk: Factor XI Complexed with 3-hydroxypropyl 3-(7- Amidinonaphthalene-1-carboxamido)benzenesulfonate
18. 1zsj: Crystal Structure of The Catalytic Domain of Coagulation Factor XI in Complex with N-(7-carbamimidoyl-naphthalen-1- Yl)-3-hydroxy-2-methyl-benzamide
19. 1zsk: Crystal Structure of The Catalytic Domain of Coagulation Factor XI in Complex with 6-carbamimidoyl-4-(3-hydroxy-2- Methyl-benzoylamino)-naphthalene-2-carboxylic Acid Methyl Ester
20. 1zsl: Factor XI Complexed with a Pyrimidinone Inhibitor
21. 1ztj: Crystal Structure of The Catalytic Domain of Coagulation Factor XI in Complex with 2-(5-benzylamino-2- Methylsulfanyl-6-oxo-6h-pyrimidin-1-yl)-n-[4-guanidino-1- (thiazole-2-carbonyl)-butyl]-acetamide
22. 1ztk: Crystal Structure of The Catalytic Domain of Coagulation Factor XI in Complex with 2-(5-amino-6-oxo-2-m-tolyl-6h- Pyrimidin-1-yl)-n-[4-guanidino-1-(thiazole-2-carbonyl)- Butyl]-acetamide
23. 1ztl: Crystal Structure of The Catalytic Domain of Coagulation Factor XI in Complex with N-[4-guanidino-1-(thiazole-2- Carbonyl)-butyl]-2-{6-oxo-5-[(quinolin-8-ylmethyl)-amino]- 2-m-tolyl-6h-pyrimidin-1-yl}-acetamide
24. 6c0s: Factor Xia in Complex with The Inhibitor Methyl (4-{6-[(1s)-2-[(3r)-1- Acetylpiperidin-3-yl]-1-({(2e)-3-[5-chloro-2- (1h-tetrazol-1-yl) Phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl) Carbamate
25. 6aod: Fxia Antibody Complex
26. 2f83: Crystal Structure at 2.9 Angstroms Resolution of Human Plasma Coagulation Factor XI Zymogen
27. 2fda: Crystal Structure of The Catalytic Domain of Human Coagulation Factor Xia in Complex with Alpha-ketothiazole Arginine Derived Ligand
28. 2j8j: Solution Structure of The A4 Domain of Blood Coagulation Factor XI
29. 2j8l: Fxi Apple 4 Domain Loop-out Conformation
30. 6usy: Coagulation Factor XI Catalytic Domain (C123S) in Complex with Nvp- Xiv936
31. 6ts7: Coagulation Factor XI Protease Domain in Complex with Active Site Inhibitor
32. 6ts6: Coagulation Factor XI Protease Domain in Complex with Active Site Inhibitor
33. 6ts5: Coagulation Factor XI Protease Domain in Complex with Active Site Inhibitor
34. 6ts4: Coagulation Factor XI Protease Domain in Complex with Active Site Inhibitor
35. 6w50: Factor Xia in Complex with The Inhibitor Methyl ((10r,14s)- 14-(4-(3- Chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydro- 1(2h)-pyridinyl)-10- Methyl-9-oxo-8,16- Diazatricyclo[13.3.1.0~2,7~]nonadeca-1(19),2,4,6, 15,17- Hexaen-5-yl)carbamate
36. 6twc: Crystal Structure of The Catalytic Domain of The Coagulation Factor Xia in Complex with Double Bridged Peptide F21
37. 6twb: Crystal Structure of The Catalytic Domain of Coagulation Factor Xia in Complex with Double Bridged Peptide F19
38. 6vlv: Factor Xia in Complex with Compound 11
39. 6vlu: Factor Xia in Complex with Compound 7
40. 5qtu: Factor Xia in Complex with The Inhibitor Methyl [(3r,7s)-7-{[1-(3- Chloro-2-fluorophenyl)-5-methyl-1h-imidazole-4-carbonyl]amino}-3- Methyl-2-oxo-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9- Benzodiazacyclotetradecin-15-yl]carbamate
41. 5qtt: Factor Xia in Complex with The Inhibitor Methyl [(3r,7s)-7-{[5-amino- 1-(3-chloro-2-fluorophenyl)-1h-pyrazole-4-carbonyl]amino}-3-methyl-2- Oxo-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9- Benzodiazacyclotetradecin-15-yl]carbamate
42. 6r8x: Coagulation Factor XI Catalytic Domain in Complex with Fab-portion of Maa868
43. 5qtv: Factor Xia in Complex with The Inhibitor Methyl [(2r,7s)-7-({(2e)-3- [5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2- (trifluoromethyl)-2,3,4,5,6,7-hexahydro-1h-8,11-epimino-1,9- Benzodiazacyclotridecin-14-yl]carbamate
44. 5qtw: Factor Xia in Complex with The Inhibitor Methyl (2r,7s)-7-({(2e)-3-[5- Chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14- [(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1h-8,11-epimino-1,9- Benzodiazacyclotridecine-2-carboxylate
45. 5qtx: Factor Xia in Complex with The Inhibitor Ethyl (2r,7s)-7-({(2e)-3-[5- Chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14- [(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9- Benzodiazacyclotridecine-2-carboxylate
46. 5qty: Factor Xia in Complex with The Inhibitor Ethyl (2r,7s)-7-({(2e)-3-[5- Chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15- [(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9- Benzodiazacyclotetradecine-2-carboxylate
47. 3sor: Factor Xia in Complex with a Clorophenyl-tetrazole Inhibitor
48. 3sos: Benzothiazinone Inhibitor in Complex with Fxia
49. 6i58: Allosteric Activation of Human Prekallikrein by Apple Domain Disc Rotation
50. 6hhc: Allosteric Inhibition as a New Mode of Action for Bay 1213790, a Neutralizing Antibody Targeting The Activated Form of Coagulation Factor XI
51. 4na7: Factor Xia in Complex with The Inhibitor 3'-[(2s,4r)-6-carbamimidoyl- 4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'- [(3-methylbutanoyl)amino]biphenyl-2-carboxylic Acid
52. 4na8: Factor Xia in Complex with The Inhibitor 5-aminocarbonyl-2-[3-[(2s, 4r)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1h-quinolin-2- Yl]phenyl]benzoic Acid
53. 5wb6: Factor Xia in Complex with The Inhibitor Methyl [(11s)-11-({(2e)-3-[5- Chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo- 1,3,4,10,11,13-hexahydro-2h-5,9:15,12-di(azeno)-1,13- Benzodiazacycloheptadecin-18-yl]carbamate
54. 4ty6: Factor Xia in Complex with The Inhibitor 4-{2-[(1s)-1-({[trans-4- (aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1h-imidazol-4- Yl}benzamide
55. 4ty7: Factor Xia in Complex with The Inhibitor (2s)-6-amino-n-{(1s)-1-[4-(3- Amino-2h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-2- Ethylhexanamide
56. 5tku: Factor Xia in Complex with The Inhibitor Methyl ((15s)-15-(((2e)-3-(5- Chloro-2-(1h-tetrazol-1-yl)phenyl)-2-propenoyl)amino)-9-oxo-8,17,19- Triazatricyclo[14.2.1.0~2,7~]nonadeca-1(18),2,4,6,16(19)-pentaen-5- Yl)carbamate
57. 5tkt: Factor Xia in Complex with The Inhibitor Methyl ((12e,15s)-15-(((2e)- 3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2-propenoyl)amino)-9-oxo-8, 17,19-triazatricyclo[14.2.1.0~2,7~]nonadeca-1(18),2,4,6,12,16(19)- Hexaen-5-yl)carbamate
58. 5tks: Factor Xia in Complex with The Inhibitor ((15s)-18-chloro- 15-(((2e)- 3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2- Propenoyl)amino)-17,19- Diazatricyclo[14.2.1.0~2,7~]nonadeca-1(18),2,4,6,16(19)-pentaen-5- Yl)carbamate
59. 5qqp: Factor Xia in Complex with The Inhibitor Methyl [(5e,8s)-8-[(4s)-4-(3- Chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2h- 12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
60. 5qqo: Factor Xia in Complex with The Inhibitor Methyl [(5e,8s)-8-[(6r)-6-(3- Chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro- 2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
61. 5qcn: Factor Xia in Complex with The Inhibitor 4-[[(1~{s})-2-[(~{e})-3-[5- Chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{s})-3- Ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{h}-isoquinolin- 1-yl]carbonylamino]benzoic Acid
62. 5qcm: Factor Xia in Complex with The Inhibitor Methyl ~{n}-[4-[[(1~{s})-2- [(~{e})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl) Phenyl]prop-2-enoyl]-3,4-dihydro-1~{h}-isoquinolin-1- Yl]carbonylamino]phenyl]carbamate
63. 5qcl: Factor Xia in Complex with The Inhibitor 4-[[(1~{s})-2-[(~{e})-3-[5- Chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro- 1~{h}-isoquinolin-1-yl]carbonylamino]benzoic Acid
64. 5qck: Factor Xia in Complex with The Inhibitor 4-[[(2~{s},3~{r})-1-[(~{e})- 3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3- Phenyl-pyrrolidin-2-yl]carbonylamino]benzoic Acid
65. 5q0h: Factor Xia in Complex with The Inhibitor Methyl [(4r,5e,8s)-11-chloro- 8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1, 3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin- 15-yl]carbamate
66. 5q0g: Factor Xia in Complex with The Inhibitor Methyl [(3r,7s)-7-({(2e)-3- [5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2- Oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9- Benzodiazacyclotridecin-14-yl]carbamate
67. 5q0f: Factor Xia in Complex with The Inhibitor Methyl [(4r,5e,8s)-8-({(2e)- 3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl- 2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10- Benzodiazacyclotetradecin-15-yl]carbamate
68. 5q0e: Factor Xia in Complex with The Inhibitor Methyl [(4s,8s)-8-({(2e)-3- [5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2- Oxo-1,3,4,5,6,7,8,10-octahydro-2h-12,9-(azeno)-1,10- Benzodiazacyclotetradecin-15-yl]carbamate
69. 5q0d: Factor Xia in Complex with The Inhibitor Methyl [(7s)-7-({(2e)-3-[5- Chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4, 5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14- Yl]carbamate
70. 5i25: Human Recombinant Coagulation Fxi in Complex with a Peptide Derived from Human High Molecular Weight Kininogen (hkp)
71. 5exn: Factor Xia (C500S [C122S]) in Complex with The Inhibitor Methyl ~{n}- [4-[2-[(1~{s})-1-[[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl) Phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4- Yl]phenyl]carbamate
72. 5exm: Factor Xia in Complex with The Inhibitor Methyl ~{n}-[4-[2-[(1~{s})-1- [[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4- Yl]phenyl]carbamate
73. 5exl: Factor Xia in Complex with The Inhibitor 4-(aminomethyl)-~{n}- [(1~{s})-1-[4-(3-oxidanyl-1~{h}-indazol-5-yl)pyridin-2-yl]-2-phenyl- Ethyl]cyclohexane-1-carboxamide
74. 5eok: Human Plasma Coagulation Factor XI in Complex with Peptide P39
75. 5eod: Human Plasma Coagulation Fxi with Peptide Lp2
76. 5e2p: Factor Xia in Complex with The Inhibitor N-[(1s)-1-benzyl-2-[2-[5- Chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2- Oxo-1h-quinoline-6-carboxamide
77. 5e2o: Factor Xia in Complex with The Inhibitor 4-[(n-{(2e)-3-[5-chloro-2- (1h-tetrazol-1-yl)phenyl]prop-2-enoyl}-l-phenylalanyl)amino]benzoic Acid
78. 4cr5: Creating Novel F1 Inhibitors through Fragment Based Lead Generation and Structure Aided Drug Design
79. 4cr9: Creating Novel F1 Inhibitors through Fragment Based Lead Generation and Structure Aided Drug Design
80. 4cra: Creating Novel F1 Inhibitors through Fragment Based Lead Generation and Structure Aided Drug Design
81. 4crb: Creating Novel F1 Inhibitors through Fragment Based Lead Generation and Structure Aided Drug Design
82. 4crc: Creating Novel F1 Inhibitors through Fragment Based Lead Generation and Structure Aided Drug Design
83. 4crd: Creating Novel F1 Inhibitors through Fragment Based Lead Generation and Structure Aided Drug Design
84. 4cre: Creating Novel F1 Inhibitors through Fragment Based Lead Generation and Structure Aided Drug Design
85. 4crf: Creating Novel F1 Inhibitors through Fragment Based Lead Generation and Structure Aided Drug Design
86. 4crg: Creating Novel F1 Inhibitors through Fragment Based Lead Generation and Structure Aided Drug Design
87. 4wxi: Factor Xia in Complex with The Inhibitor Trans-n-{(1s)-1-[4-(3-amino- 2h-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl) Cyclohexanecarboxamide
88. 4x6m: Factor Xia in Complex with The Inhibitor 1-{(1s)-1-[4-(3-amino-1h- Indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-3-[2- (aminomethyl)-5-chlorobenzyl]urea
89. 4x6n: Factor Xia in Complex with The Inhibitor 1-{(1s)-1-[4-(3-amino-1h- Indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro- 2-(1h-tetrazol-1-yl)benzyl]urea
90. 4x6o: Factor Xia in Complex with The Inhibitor Methyl (4-{4-chloro-2-[(1s)- 1-({3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]propanoyl}amino)-2- Phenylethyl]-1h-imidazol-5-yl}phenyl)carbamate
91. 4x6p: Factor Xia (pichia Pastoris; C500S [C122S]) in Complex with The Inhibitor (2e)-n-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-1h-imidazol-2- Yl]-2-phenylethyl}-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2- Enamide
92. 4y8x: Factor Xia in Complex with The Inhibitor Methyl (4-{4-chloro-2-[(1s)- 1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)- 2-phenylethyl]-1h-imidazol-5-yl}phenyl)carbamate
93. 4y8y: Factor Xia in Complex with The Inhibitor Methyl (4-{4-chloro-2-[(1s)- 1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)- 3-(morpholin-4-yl)-3-oxopropyl]-1h-imidazol-5-yl}phenyl)carbamate
94. 4y8z: Factor Xia in Complex with The Inhibitor (2e)-n-[(1s)-1-[5-chloro-4- (4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1h-imidazol-2-yl]-3-(4- Methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1h-tetrazol-1-yl) Phenyl]prop-2-enamide
95. 4d76: Human Fxia in Complex with Small Molecule Inhibitors.
96. 4d7f: Human Fxia in Complex with Small Molecule Inhibitors.
97. 4d7g: Human Fxia in Complex with Small Molecule Inhibitors.
98. 7mbo: Factor Xia (pichia Pastoris; C500S [C122S]) in Complex with The Inhibitor Milvexian (bms-986177), Iupac Name:(6r,10s)-10-{4-[5- Chloro-2-(4-chloro-1h-1,2,3-triazol-1-yl)phenyl]-6- Oxopyrimidin- 1(6h)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6h)-one