6XFQ
 
 | | Structure of a novel antithrombotic agent Agkisacucetin in complex with the platelet glycoprotein Ib receptor | | Descriptor: | Platelet glycoprotein Ib alpha chain, Snaclec agglucetin subunit alpha-1, Snaclec agglucetin subunit beta-2 | | Authors: | Wang, J, Gao, Y.X, Ke, J.Y, Zhu, Z.L, Niu, L.W. | | Deposit date: | 2020-06-16 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of a novel antithrombotic agent Agkisacucetin in complex with the platelet glycoprotein Ib receptor
To be published
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1MQ5
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1VKJ
 | | Crystal structure of heparan sulfate 3-O-sulfotransferase isoform 1 in the presence of PAP | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, SULFATE ION, heparan sulfate (glucosamine) 3-O-sulfotransferase 1 | | Authors: | Thorp, S, Lee, K.A, Negishi, M, Linhardt, R.J, Liu, J, Pedersen, L.C. | | Deposit date: | 2004-05-25 | | Release date: | 2004-06-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure and mutational analysis of heparan sulfate 3-O-sulfotransferase isoform 1
J.Biol.Chem., 279, 2004
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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 | | Descriptor: | 3-CHLORO-N-[4-CHLORO-2-[[(5-CHLORO-2-PYRIDINYL)AMINO]CARBONYL]-6-METHOXYPHENYL]-4-[[(4,5-DIHYDRO-2-OXAZOLYL)METHYLAMINO]METHYL]-2-THIOPHENECARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2002-09-13 | | Release date: | 2003-01-28 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa
Biochemistry, 41, 2002
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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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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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3JTC
 | | Importance of Mg2+ in the Ca2+-Dependent Folding of the gamma-Carboxyglutamic Acid Domains of Vitamin K-Dependent clotting and anticlotting Proteins | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endothelial protein C receptor, ... | | Authors: | Bajaj, S.P, Vadivel, K, Agah, S, Cascio, D, Krishnaswamy, S, Esmon, C, Padmanabhan, K. | | Deposit date: | 2009-09-11 | | Release date: | 2011-04-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Functional Studies of gamma-Carboxyglutamic Acid Domains of Factor VIIa and Activated Protein C: Role of Magnesium at Physiological Calcium.
J.Mol.Biol., 425, 2013
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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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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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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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4YLQ
 | | Crystal Structure of a FVIIa-Trypsin Chimera (FT) in Complex with Soluble Tissue Factor | | Descriptor: | CALCIUM ION, Coagulation factor VII, N-PROPANOL, ... | | Authors: | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | | Deposit date: | 2015-03-05 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity.
J.Biol.Chem., 291, 2016
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8CN9
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4ZMA
 | | Crystal Structure of a FVIIa-Trypsin Chimera (ST) in Complex with Soluble Tissue Factor | | Descriptor: | CACODYLATE ION, CALCIUM ION, Coagulation factor VII, ... | | Authors: | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | | Deposit date: | 2015-05-02 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity.
J.Biol.Chem., 291, 2016
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4Z6A
 | | Crystal Structure of a FVIIa-Trypsin Chimera (YT) in Complex with Soluble Tissue Factor | | Descriptor: | CALCIUM ION, CITRIC ACID, Coagulation factor VII, ... | | Authors: | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | | Deposit date: | 2015-04-04 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity.
J.Biol.Chem., 291, 2016
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5KY2
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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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4RSQ
 | | 2.9A resolution structure of SRPN2 (K198C/E359C) from Anopheles gambiae | | Descriptor: | Serpin 2 | | Authors: | Lovell, S, Battaile, K.P, Zhang, X, Meekins, D.A, An, C, Michel, K. | | Deposit date: | 2014-11-10 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and Inhibitory Effects of Hinge Loop Mutagenesis in Serpin-2 from the Malaria Vector Anopheles gambiae.
J.Biol.Chem., 290, 2015
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3GOV
 | | Crystal structure of the catalytic region of human MASP-1 | | Descriptor: | GLYCEROL, MASP-1 | | Authors: | Harmat, V, Dobo, J, Beinrohr, L, Sebestyen, E, Zavodszky, P, Gal, P. | | Deposit date: | 2009-03-20 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | MASP-1, a promiscuous complement protease: structure of its catalytic region reveals the basis of its broad specificity.
J.Immunol., 183, 2009
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5KXH
 | | mouse POFUT1 in complex with mouse Factor VII EGF1 and GDP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor VII, GDP-fucose protein O-fucosyltransferase 1, ... | | Authors: | Li, Z, Rini, J.M. | | Deposit date: | 2016-07-20 | | Release date: | 2017-05-17 | | Last modified: | 2021-03-24 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1.
Nat. Chem. Biol., 13, 2017
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5L0S
 | | human POGLUT1 in complex with Factor VII EGF1 and UDP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Li, Z, Rini, J.M. | | Deposit date: | 2016-07-28 | | Release date: | 2017-08-09 | | Last modified: | 2021-03-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Nat Commun, 8, 2017
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4ROA
 | | 1.90A resolution structure of SRPN2 (S358W) from Anopheles gambiae | | Descriptor: | Serpin 2 | | Authors: | Lovell, S, Battaile, K.P, Zhang, X, Meekins, D.A, An, C, Michel, K. | | Deposit date: | 2014-10-28 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Inhibitory Effects of Hinge Loop Mutagenesis in Serpin-2 from the Malaria Vector Anopheles gambiae.
J.Biol.Chem., 290, 2015
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5KY3
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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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