4X8U
 
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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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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 | | Descriptor: | 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, CALCIUM ION, Factor VII heavy chain, ... | | Authors: | Wei, A. | | Deposit date: | 2013-01-16 | | Release date: | 2013-03-20 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Discovery and gram-scale synthesis of BMS-593214, a potent, selective FVIIa inhibitor.
Bioorg.Med.Chem.Lett., 23, 2013
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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 | | Descriptor: | 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ... | | Authors: | Wei, A, Anumula, R. | | Deposit date: | 2013-04-02 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
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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 | | Descriptor: | 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ... | | Authors: | Wei, A, Anumula, R. | | Deposit date: | 2013-04-02 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
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4ZXX
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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 | | Descriptor: | (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, CALCIUM ION, Coagulation factor VIIa heavy chain, ... | | Authors: | Wei, A. | | Deposit date: | 2015-05-20 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structure-Based Design of Macrocyclic Coagulation Factor VIIa Inhibitors.
J.Med.Chem., 58, 2015
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4NGA
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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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4NG9
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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 | | Descriptor: | 1,2-ETHANEDIOL, 5-aminocarbonyl-2-[3-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl]phenyl]benzoic acid, Coagulation factor XI, ... | | Authors: | Wei, A. | | Deposit date: | 2013-10-21 | | Release date: | 2014-02-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors.
J.Med.Chem., 57, 2014
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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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3QWR
 | | Crystal structure of IL-23 in complex with an adnectin | | Descriptor: | ADNECTIN, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ... | | Authors: | Wei, A, Sheriff, S. | | Deposit date: | 2011-02-28 | | Release date: | 2012-02-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structures of adnectin/protein complexes reveal an expanded binding footprint.
Structure, 20, 2012
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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 | | Descriptor: | (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, 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 (1.85 Å) | | Cite: | Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors.
ACS Med Chem Lett, 8, 2017
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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 | | Descriptor: | (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, 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
 | | 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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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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2HYS
 | | Crystal structure of nitrophorin 2 complexed with cyanide | | Descriptor: | CYANIDE ION, Nitrophorin-2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Weichsel, A, Montfort, W.R. | | Deposit date: | 2006-08-07 | | Release date: | 2006-10-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Assignment of the Ferriheme Resonances of the Low-Spin Complexes of Nitrophorins 1 and 4 by (1)H and (13)C NMR Spectroscopy: Comparison to Structural Data Obtained from X-ray Crystallography.
Inorg.Chem., 46, 2007
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4NP1
 | | NITROPHORIN 1 COMPLEX WITH NITRIC OXIDE | | Descriptor: | NITRIC OXIDE, NITROPHORIN 1, PHOSPHATE ION, ... | | Authors: | Weichsel, A, Andersen, J.F, Walker, F.A, Montfort, W.R. | | Deposit date: | 1998-06-26 | | Release date: | 1998-11-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Nitric Oxide Binding to the Ferri-and Ferroheme States of Nitrophorin 1, a Reversible No-Binding Heme Protein from the Saliva of the Blood-Sucking Insect, Rhodnius Prolixus
To be Published
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5LN3
 | | The human 26S Proteasome at 6.8 Ang. | | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | | Authors: | Schweitzer, A, Beck, F, Sakata, E, Unverdorben, P. | | Deposit date: | 2016-08-03 | | Release date: | 2017-03-22 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (6.8 Å) | | Cite: | Molecular Details Underlying Dynamic Structures and Regulation of the Human 26S Proteasome.
Mol. Cell Proteomics, 16, 2017
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4GRJ
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4GNW
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8AC0
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4JJI
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