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6BL4
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BU of 6bl4 by Molmil
Crystal Complex of Cyclooxygenase-2 with indomethacin-ethylenediamine-dansyl conjugate
Descriptor: 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J.
Deposit date:2017-11-09
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site.
J.Biol.Chem., 294, 2019
4PH9
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BU of 4ph9 by Molmil
The structure of Ibuprofen bound to cyclooxygenase-2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Orlando, B.J, Lucido, M.J, Malkowski, M.G.
Deposit date:2014-05-05
Release date:2014-11-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The structure of ibuprofen bound to cyclooxygenase-2.
J.Struct.Biol., 189, 2015
1TOZ
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BU of 1toz by Molmil
NMR structure of the human NOTCH-1 ligand binding region
Descriptor: Neurogenic locus notch homolog protein 1
Authors:Hambleton, S, Valeyev, N.Y, Muranyi, A, Knott, V, Werner, J.M, Mcmichael, A.J, Handford, P.A, Downing, A.K.
Deposit date:2004-06-15
Release date:2004-10-12
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Structural and functional properties of the human notch-1 ligand binding region
STRUCTURE, 12, 2004
1W2K
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BU of 1w2k by Molmil
tf7a_4380 complex
Descriptor: (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ...
Authors:Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L.
Deposit date:2004-07-06
Release date:2005-06-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
3ENS
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BU of 3ens by Molmil
Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Activated factor Xa heavy chain, ...
Authors:Klei, H.E.
Deposit date:2008-09-25
Release date:2008-12-30
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors.
J.Med.Chem., 51, 2008
7YBC
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BU of 7ybc by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with (S)-4-hydroxy-4-methyl-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
Descriptor: (2~{S})-2-methyl-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:2024-10-09
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with (S)-4-hydroxy-4-methyl-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
7YB8
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BU of 7yb8 by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
Descriptor: (2R)-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 (1.98 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
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
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
3ELA
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BU of 3ela by Molmil
Crystal structure of active site inhibited coagulation factor VIIA mutant in complex with soluble tissue factor
Descriptor: CALCIUM ION, Coagulation factor VIIA heavy chain, Coagulation factor VIIA light chain, ...
Authors:Bjelke, J.R, Fodje, M, Svensson, L.A.
Deposit date:2008-09-21
Release date:2008-11-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of the Ca2+-induced enhancement of the intrinsic factor VIIa activity
J.Biol.Chem., 283, 2008
3CFW
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BU of 3cfw by Molmil
L-selectin lectin and EGF domains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, L-selectin, ...
Authors:Mehta, P, Oganesyan, V, Terzyan, S, Mather, T, McEver, R.P.
Deposit date:2008-03-04
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Glycan Bound to the Selectin Low Affinity State Engages Glu-88 to Stabilize the High Affinity State under Force.
J.Biol.Chem., 292, 2017
3U7U
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BU of 3u7u by Molmil
Crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuregulin 1, Receptor tyrosine-protein kinase erbB-4
Authors:Liu, P, Cleveland IV, T.E, Bouyain, S, Longo, P.A, Leahy, D.J.
Deposit date:2011-10-14
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:A single ligand is sufficient to activate EGFR dimers.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TZI
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BU of 3tzi by Molmil
X-ray crystal structure of arachidonic acid bound in the cyclooxygenase channel of G533V murine COX-2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vecchio, A.J, Malkowski, M.G.
Deposit date:2011-09-27
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Investigating Substrate Promiscuity in Cyclooxygenase-2: THE ROLE OF ARG-120 AND RESIDUES LINING THE HYDROPHOBIC GROOVE.
J.Biol.Chem., 287, 2012
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
4WM0
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BU of 4wm0 by Molmil
Crystal structure of mouse Xyloside xylosyltransferase 1 complexed with acceptor ligand
Descriptor: Coagulation factor IX, Xyloside xylosyltransferase 1, alpha-D-xylopyranose-(1-3)-beta-D-glucopyranose
Authors:Yu, H, Li, H.
Deposit date:2014-10-08
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Notch-modifying xylosyltransferase structures support an SNi-like retaining mechanism.
Nat.Chem.Biol., 11, 2015
4WN2
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BU of 4wn2 by Molmil
Crystal structure of mouse Xyloside xylosyltransferase 1 complexed with manganese, product ligand and UDP (Product complex III)
Descriptor: Coagulation factor IX, MANGANESE (II) ION, SULFATE ION, ...
Authors:Yu, H, Li, H.
Deposit date:2014-10-10
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Notch-modifying xylosyltransferase structures support an SNi-like retaining mechanism.
Nat.Chem.Biol., 11, 2015
4WNH
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BU of 4wnh by Molmil
Crystal structure of mouse Xyloside xylosyltransferase 1 complexed with manganese,acceptor ligand and UDP-Xylose
Descriptor: Coagulation factor IX, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE, ...
Authors:Yu, H, Li, H.
Deposit date:2014-10-11
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of mouse Xyloside xylosyltransferase 1 complexed with manganese,acceptor ligand and UDP-Xylose
To Be Published
4WMI
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BU of 4wmi by Molmil
Crystal structure of mouse Xyloside xylosyltransferase 1 complexed with manganese, product ligand and UDP (Product complex I)
Descriptor: Coagulation factor IX, MANGANESE (II) ION, SULFATE ION, ...
Authors:Yu, H, Li, H.
Deposit date:2014-10-09
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Notch-modifying xylosyltransferase structures support an SNi-like retaining mechanism.
Nat.Chem.Biol., 11, 2015
5VC1
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BU of 5vc1 by Molmil
Crystal structure of L-selectin lectin/EGF domains
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Wedepohl, S, Dernedde, J, Vahedi-Faridi, A, Tauber, R, Saenger, W, Bulut, H.
Deposit date:2017-03-30
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Reducing Macro- and Microheterogeneity of N-Glycans Enables the Crystal Structure of the Lectin and EGF-Like Domains of Human L-Selectin To Be Solved at 1.9 angstrom Resolution.
Chembiochem, 18, 2017
3TH3
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BU of 3th3 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: CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ...
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 (2.7 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
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
5UB5
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BU of 5ub5 by Molmil
human POGLUT1 in complex with human Notch1 EGF12 S458T mutant and UDP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurogenic locus notch homolog protein 1, ...
Authors:Li, Z, Rini, J.M.
Deposit date:2016-12-20
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Nat Commun, 8, 2017
6YYW
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BU of 6yyw by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: 2-OXOGLUTARIC 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:2024-02-07
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6Z6R
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BU of 6z6r by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, N-oxalyl-alpha-methylalanine, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: Aspartyl/asparaginyl beta-hydroxylase, BROMIDE ION, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-29
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6YYY
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BU of 6yyy by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 4,4-dimethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: 2,2-dimethyl-4-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:2024-10-09
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020

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