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6R2W
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BU of 6r2w by Molmil
Crystal structure of the super-active FVIIa variant VYT in complex with tissue factor
Descriptor: CALCIUM ION, Coagulation factor VII, N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide, ...
Authors:Sorensen, A.B, Svensson, L.A, Gandhi, P.S.
Deposit date:2019-03-19
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Beating tissue factor at its own game: Design and properties of a soluble tissue factor-independent coagulation factor VIIa.
J.Biol.Chem., 295, 2020
5KXH
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BU of 5kxh by Molmil
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
4YLQ
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BU of 4ylq by Molmil
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
5L0S
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BU of 5l0s by Molmil
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
5KY2
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BU of 5ky2 by Molmil
mouse POFUT1 in complex with O-glucosylated 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:2020-07-29
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1.
Nat. Chem. Biol., 13, 2017
5L0R
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BU of 5l0r by Molmil
human POGLUT1 in complex with Notch1 EGF12 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 (1.5 Å)
Cite:Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Nat Commun, 8, 2017
1EDM
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BU of 1edm by Molmil
EPIDERMAL GROWTH FACTOR-LIKE DOMAIN FROM HUMAN FACTOR IX
Descriptor: CALCIUM ION, FACTOR IX
Authors:Rao, Z, Handford, P, Mayhew, M, Knott, V, Brownlee, G.G, Stuart, D.
Deposit date:1996-03-21
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The structure of a Ca(2+)-binding epidermal growth factor-like domain: its role in protein-protein interactions.
Cell(Cambridge,Mass.), 82, 1995
1G1T
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BU of 1g1t by Molmil
CRYSTAL STRUCTURE OF E-SELECTIN LECTIN/EGF DOMAINS COMPLEXED WITH SLEX
Descriptor: CALCIUM ION, E-SELECTIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Authors:Somers, W.S, Camphausen, R.T.
Deposit date:2000-10-13
Release date:2001-10-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Cell(Cambridge,Mass.), 103, 2000
7ALJ
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BU of 7alj by Molmil
Structure of Drosophila Notch EGF domains 11-13
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurogenic locus Notch protein, ...
Authors:Suckling, R, Johnson, S, Lea, S.M.
Deposit date:2020-10-06
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The conserved C2 phospholipid-binding domain in Delta contributes to robust Notch signalling.
Embo Rep., 22, 2021
6YYX
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BU of 6yyx by Molmil
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)
Descriptor: (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase
Chem Sci, 12, 2021
5KY3
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BU of 5ky3 by Molmil
mouse POFUT1 in complex with mouse Factor VII EGF1 mutant (T101A) and GDP-fucose
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:2016-07-21
Release date:2017-05-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1.
Nat. Chem. Biol., 13, 2017
7YB9
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BU of 7yb9 by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with L-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
Descriptor: (2S)-2-HYDROXYPENTANEDIOIC ACID, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with L-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
4Y6D
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BU of 4y6d by Molmil
Factor Xa complex with GTC000101
Descriptor: 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide, Coagulation factor X
Authors:Convery, M.A.
Deposit date:2015-02-12
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:TBA
To Be Published
4D0E
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BU of 4d0e by Molmil
Human Notch1 EGF domains 11-13 mutant GlcNAc-fucose disaccharide modified at T466
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose, CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1
Authors:Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A.
Deposit date:2014-04-25
Release date:2014-05-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands.
Proc.Natl.Acad.Sci.USA, 111, 2014
4WMA
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BU of 4wma by Molmil
Crystal structure of mouse Xyloside xylosyltransferase 1 complexed with manganese,acceptor ligand and UDP-Glucose
Descriptor: Coagulation factor IX, MANGANESE (II) ION, SULFATE ION, ...
Authors:Yu, H, Li, H.
Deposit date:2014-10-08
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Notch-modifying xylosyltransferase structures support an SNi-like retaining mechanism.
Nat.Chem.Biol., 11, 2015
4BDX
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BU of 4bdx by Molmil
The structure of the FnI-EGF tandem domain of coagulation factor XII
Descriptor: ACETATE ION, COAGULATION FACTOR XIIA HEAVY CHAIN
Authors:Beringer, D.X, Kroon-Batenburg, L.M.J.
Deposit date:2012-10-08
Release date:2013-02-13
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The Structure of the Fni-Egf-Like Tandem Domain of Coagulation Factor Xii Solved Using Siras.
Acta Crystallogr.,Sect.F, 69, 2013
6Q9F
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BU of 6q9f by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Mn, NOG and Factor X peptide fragment (39mer-4Ser)
Descriptor: Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, GLYCEROL, ...
Authors:Chowdhury, R, Pfeffer, I, Schofield, C.J.
Deposit date:2018-12-18
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Mn, NOG and Factor X peptide fragment (39mer-4Ser)
To Be Published
7BMI
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BU of 7bmi by Molmil
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)
Descriptor: 3-fluoranylpyridine-2,4-dicarboxylic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2021-01-20
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Fluorinated derivatives of pyridine-2,4-dicarboxylate are potent inhibitors of human 2-oxoglutarate dependent oxygenases
J Fluor Chem, 247, 2021
7YBB
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BU of 7ybb by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
Descriptor: (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
2VH0
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BU of 2vh0 by Molmil
Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs
Descriptor: 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ...
Authors:Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Convery, M.A, Diallo, H, Hortense, E, Irving, W.R, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Zhou, P.
Deposit date:2007-11-16
Release date:2008-11-25
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs.
Bioorg. Med. Chem. Lett., 18, 2008
2Y81
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BU of 2y81 by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
Descriptor: 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
Authors:Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
Deposit date:2011-02-02
Release date:2011-03-16
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
3TH2
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BU of 3th2 by Molmil
Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+
Descriptor: BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ...
Authors:Vadivel, K, Agah, S, Cascio, D, Padmanabhan, K, Bajaj, S.P.
Deposit date:2011-08-18
Release date:2012-08-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+
To be Published
2C4F
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BU of 2c4f by Molmil
crystal structure of factor VII.stf complexed with pd0297121
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[6-{3-[AMINO(IMINO)METHYL]PHENOXY}-4-(DIISOPROPYLAMINO)-3,5-DIFLUOROPYRIDIN-2-YL]OXY}-5-[(ISOBUTYLAMINO)CARBONYL]BEN ZOIC ACID, CALCIUM ION, ...
Authors:Kohrt, J.T, Zhang, E.
Deposit date:2005-10-18
Release date:2006-10-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The Discovery of Fluoropyridine-Based Inhibitors of the Factor Viia/Tf Complex--Part 2
Bioorg.Med.Chem.Lett., 16, 2006
3NT1
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BU of 3nt1 by Molmil
High resolution structure of naproxen:COX-2 complex.
Descriptor: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Duggan, K.C, Musee, J, Walters, M.J, Harp, J.M, Kiefer, J.R, Oates, J.A, Marnett, L.J.
Deposit date:2010-07-02
Release date:2010-09-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen.
J.Biol.Chem., 285, 2010
2UWP
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BU of 2uwp by Molmil
Factor Xa inhibitor complex
Descriptor: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X, ...
Authors:Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P, Thorpe, J.H.
Deposit date:2007-03-22
Release date:2007-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa.
Bioorg.Med.Chem.Lett., 17, 2007

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