1KIG
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![BU of 1kig by Molmil](/molmil-images/mine/1kig) | BOVINE FACTOR XA | Descriptor: | ANTICOAGULANT PEPTIDE, FACTOR XA | Authors: | Wei, A, Alexander, R, Chang, C.-H. | Deposit date: | 1997-04-24 | Release date: | 1998-10-28 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Unexpected binding mode of tick anticoagulant peptide complexed to bovine factor Xa. J.Mol.Biol., 283, 1998
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4X6M
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![BU of 4x6m by Molmil](/molmil-images/mine/4x6m) | |
4X6N
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![BU of 4x6n by Molmil](/molmil-images/mine/4x6n) | |
4X6O
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![BU of 4x6o by Molmil](/molmil-images/mine/4x6o) | |
4TY7
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![BU of 4ty7 by Molmil](/molmil-images/mine/4ty7) | |
4TY6
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![BU of 4ty6 by Molmil](/molmil-images/mine/4ty6) | |
4NA7
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![BU of 4na7 by Molmil](/molmil-images/mine/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 | Descriptor: | 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, Coagulation factor XI, SULFATE ION | Authors: | Wei, A. | Deposit date: | 2013-10-21 | Release date: | 2014-02-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors. J.Med.Chem., 57, 2014
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4NA9
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![BU of 4na9 by Molmil](/molmil-images/mine/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 | Descriptor: | 3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid, CALCIUM ION, Coagulation factor VII heavy chain, ... | Authors: | Wei, A. | Deposit date: | 2013-10-21 | Release date: | 2014-02-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors. J.Med.Chem., 57, 2014
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4NGA
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![BU of 4nga by Molmil](/molmil-images/mine/4nga) | |
4WXI
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![BU of 4wxi by Molmil](/molmil-images/mine/4wxi) | |
5EXL
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![BU of 5exl by Molmil](/molmil-images/mine/5exl) | |
5EXM
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![BU of 5exm by Molmil](/molmil-images/mine/5exm) | |
5E2O
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![BU of 5e2o by Molmil](/molmil-images/mine/5e2o) | |
5E2P
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![BU of 5e2p by Molmil](/molmil-images/mine/5e2p) | |
4Y8Y
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![BU of 4y8y by Molmil](/molmil-images/mine/4y8y) | |
4X8S
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![BU of 4x8s by Molmil](/molmil-images/mine/4x8s) | FACTOR VIIA IN COMPLEX WITH THE INHIBITOR 4-BROMO-2-METHOXYPHENOL | Descriptor: | 4-bromo-2-methoxyphenol, CALCIUM ION, Factor VIIa (Heavy Chain), ... | Authors: | Wei, A. | Deposit date: | 2014-12-10 | Release date: | 2015-03-25 | Last modified: | 2015-04-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening. J.Med.Chem., 58, 2015
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4X8U
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![BU of 4x8u by Molmil](/molmil-images/mine/4x8u) | |
4X8V
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![BU of 4x8v by Molmil](/molmil-images/mine/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) | Descriptor: | CALCIUM ION, Factor VIIa (Heavy Chain), Factor VIIa (Light Chain), ... | Authors: | Wei, A. | Deposit date: | 2014-12-10 | Release date: | 2015-03-25 | Last modified: | 2015-04-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening. J.Med.Chem., 58, 2015
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4X8T
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![BU of 4x8t by Molmil](/molmil-images/mine/4x8t) | |
5L30
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![BU of 5l30 by Molmil](/molmil-images/mine/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 | Descriptor: | (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, CALCIUM ION, Coagulation factor VII (Heavy Chain), ... | Authors: | Wei, A. | Deposit date: | 2016-08-02 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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5L2Y
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![BU of 5l2y by Molmil](/molmil-images/mine/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 | Descriptor: | 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, CALCIUM ION, Coagulation factor VII (Heavy Chain), ... | Authors: | Wei, A. | Deposit date: | 2016-08-02 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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5L2Z
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![BU of 5l2z by Molmil](/molmil-images/mine/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 | Descriptor: | 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, CALCIUM ION, Coagulation factor VII (Heavy Chain), ... | Authors: | Wei, A. | Deposit date: | 2016-08-02 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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5I46
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![BU of 5i46 by Molmil](/molmil-images/mine/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 | Descriptor: | (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, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wei, A. | Deposit date: | 2016-02-11 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Atropisomer Control in Macrocyclic Factor VIIa Inhibitors. J.Med.Chem., 59, 2016
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5TQG
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![BU of 5tqg by Molmil](/molmil-images/mine/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 | Descriptor: | (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, CALCIUM ION, Factor VIIa (Heavy Chain), ... | Authors: | Wei, A. | Deposit date: | 2016-10-24 | Release date: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors. ACS Med Chem Lett, 8, 2017
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5U6J
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![BU of 5u6j by Molmil](/molmil-images/mine/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 | Descriptor: | 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, CALCIUM ION, Coagulation factor VII Heavy Chain, ... | Authors: | Wei, A. | Deposit date: | 2016-12-08 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Neutral macrocyclic factor VIIa inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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