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6Z6Q
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Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-ethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
分子名称: (3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2020-05-29
公開日2021-03-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献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)
分子名称: Aspartyl/asparaginyl beta-hydroxylase, BROMIDE ION, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2020-05-29
公開日2021-03-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6YYX
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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)
分子名称: (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2020-05-06
公開日2021-03-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase
Chem Sci, 12, 2021
1CX2
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CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A SELECTIVE INHIBITOR, SC-558
分子名称: 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-5-PARABROMOPHENYLPYRAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, ...
著者Kurumbail, R, Stallings, W.
登録日1996-12-17
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
5FDQ
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Murine COX-2 S530T mutant
分子名称: 2-[(2~{R})-2-(hydroxymethyloxy)propoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lucido, M.J, Orlando, B.J, Malkowski, M.G.
登録日2015-12-16
公開日2016-03-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry.
Biochemistry, 55, 2016
5FM9
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human Notch 1, EGF 4-7
分子名称: CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1
著者Weisshuhn, P.C, Sheppard, D, Taylor, P, Whiteman, P, Lea, S.M, Handford, P.A, Redfield, C.
登録日2015-11-02
公開日2016-04-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Non-Linear and Flexible Regions of the Human Notch1 Extracellular Domain Revealed by High-Resolution Structural Studies.
Structure, 24, 2016
2EC9
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BU of 2ec9 by Molmil
Crystal structure analysis of human Factor VIIa , Souluble tissue factor complexed with BCX-3607
分子名称: 1,5-anhydro-D-glucitol, 2'-((5-CARBAMIMIDOYLPYRIDIN-2-YLAMINO)METHYL)-4-(ISOBUTYLCARBAMOYL)-4'-VINYLBIPHENYL-2-CARBOXYLIC ACID, CALCIUM ION, ...
著者Raman, K, Yarlagadda, B.
登録日2007-02-13
公開日2008-02-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the S2 site of factor VIIa to generate potent and selective inhibitors: the structure of BCX-3607 in complex with tissue factor-factor VIIa.
Acta Crystallogr.,Sect.D, 63, 2007
1DAN
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BU of 1dan by Molmil
Complex of active site inhibited human blood coagulation factor VIIA with human recombinant soluble tissue factor
分子名称: BLOOD COAGULATION FACTOR VIIA heavy chain, BLOOD COAGULATION FACTOR VIIA light chain, CACODYLATE ION, ...
著者Banner, D.W.
登録日1997-03-05
公開日1997-09-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of the complex of blood coagulation factor VIIa with soluble tissue factor.
Nature, 380, 1996
1DDX
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BU of 1ddx by Molmil
CRYSTAL STRUCTURE OF A MIXTURE OF ARACHIDONIC ACID AND PROSTAGLANDIN BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2: PROSTAGLANDIN STRUCTURE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-YL]-HEPT-5-ENOIC ACID, ...
著者Kiefer, J.R, Pawlitz, J.L, Moreland, K.T, Stegeman, R.A, Gierse, J.K, Stevens, A.M, Goodwin, D.C, Rowlinson, S.W, Marnett, L.J, Stallings, W.C, Kurumbail, R.G.
登録日1999-11-11
公開日2000-05-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into the stereochemistry of the cyclooxygenase reaction.
Nature, 405, 2000
5F86
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BU of 5f86 by Molmil
Crystal structure of Drosophila Poglut1 (Rumi) complexed with its substrate protein (EGF repeat)
分子名称: Coagulation factor IX, GLYCEROL, O-glucosyltransferase rumi, ...
著者Yu, H.J, Li, H.L.
登録日2015-12-09
公開日2016-07-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of Notch-regulating Rumi reveals basis for pathogenic mutations.
Nat. Chem. Biol., 12, 2016
5FMA
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human Notch 1, EGF 4-7
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Weisshuhn, P.C, Sheppard, D, Taylor, P, Whiteman, P, Lea, S.M, Handford, P.A, Redfield, C.
登録日2015-11-02
公開日2016-04-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Non-Linear and Flexible Regions of the Human Notch1 Extracellular Domain Revealed by High-Resolution Structural Studies.
Structure, 24, 2016
5F85
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BU of 5f85 by Molmil
Crystal structure of Drosophila Poglut1 (Rumi) complexed with its substrate protein (EGF repeat) and UDP
分子名称: Coagulation factor IX, GLYCEROL, O-glucosyltransferase rumi, ...
著者Yu, H.J, Li, H.L.
登録日2015-12-09
公開日2016-07-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural analysis of Notch-regulating Rumi reveals basis for pathogenic mutations.
Nat. Chem. Biol., 12, 2016
1DVA
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BU of 1dva by Molmil
Crystal Structure of the Complex Between the Peptide Exosite Inhibitor E-76 and Coagulation Factor VIIA
分子名称: CACODYLATE ION, CALCIUM ION, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide, ...
著者Eigenbrot, C, Ultsch, M.H.
登録日2000-01-20
公開日2000-05-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Peptide exosite inhibitors of factor VIIa as anticoagulants.
Nature, 404, 2000
7ALJ
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BU of 7alj by Molmil
Structure of Drosophila Notch EGF domains 11-13
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurogenic locus Notch protein, ...
著者Suckling, R, Johnson, S, Lea, S.M.
登録日2020-10-06
公開日2021-08-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献The conserved C2 phospholipid-binding domain in Delta contributes to robust Notch signalling.
Embo Rep., 22, 2021
2CJI
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BU of 2cji by Molmil
Crystal structure of a Human Factor Xa inhibitor complex
分子名称: 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Watson, N.S, Campbell, M, Chan, C, Convery, M.A, Hamblin, J.N, Kelly, H.A, King, N.P, Mason, A.M, Mitchell, C, Patel, V.K, Senger, S, Shah, G.P, Weston, H.E, Whitworth, C, Young, R.J.
登録日2006-04-03
公開日2006-05-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and Synthesis of Orally Active Pyrrolidin-2-One-Based Factor Xa Inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
2FIR
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BU of 2fir by Molmil
Crystal structure of DFPR-VIIa/sTF
分子名称: CALCIUM ION, CHLORIDE ION, Coagulation factor VII Heavy Chain (EC 3.4.21.21), ...
著者Bajaj, S.P, Schmidt, A.E, Padmanabhan, K, Bajaj, M.S, Prevost, D, Schreuder, H.
登録日2005-12-30
公開日2006-07-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High Resolution Structures of p-Aminobenzamidine- and Benzamidine-VIIa/Soluble Tissue Factor: Unpredicted conformation of the 192-193 peptide bond and mapping of Ca2+, Mg2+, Na+ and Zn2+ sites in factor VIIa
J.Biol.Chem., 281, 2006
5F84
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Crystal structure of Drosophila Poglut1 (Rumi) complexed with its glycoprotein product (glucosylated EGF repeat) and UDP
分子名称: Coagulation factor IX, O-glucosyltransferase rumi, SULFATE ION, ...
著者Yu, H.J, Li, H.L.
登録日2015-12-09
公開日2016-07-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural analysis of Notch-regulating Rumi reveals basis for pathogenic mutations.
Nat. Chem. Biol., 12, 2016
2FLR
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BU of 2flr by Molmil
Novel 5-Azaindole Factor VIIa Inhibitors
分子名称: Coagulation factor VII, Tissue factor, [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA
著者Riggs, J.R, Hu, H, Kolesnikov, A, Tong, Z, Leahy, E.M, Wesson, K.E, Shrader, W.D, Vijaykumar, D, Wahl, T.A, Sprengeler, P.A, Green, M.J, Yu, C, Katz, B.A, Young, W.B.
登録日2006-01-06
公開日2007-01-23
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Novel 5-azaindole factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2FLB
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BU of 2flb by Molmil
Discovery of a Novel Hydroxy Pyrazole Based Factor IXa Inhibitor
分子名称: 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, Coagulation factor VII, Tissue factor
著者Katz, B.A.
登録日2006-01-05
公開日2006-04-04
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of novel hydroxy pyrazole based factor IXa inhibitor.
Bioorg.Med.Chem.Lett., 16, 2006
2F9B
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BU of 2f9b by Molmil
Discovery of Novel Heterocyclic Factor VIIa Inhibitors
分子名称: Coagulation factor VII, Tissue factor, {5-(5-AMINO-1H-PYRROLO[3,2-B]PYRIDIN-2-YL)-6-HYDROXY-3'-NITRO-BIPHENYL-3-YL]-ACETIC ACID
著者Rai, R, Kolesnikov, A, Sprengeler, P.A, Torkelson, S, Ton, T, Katz, B.A, Yu, C, Hendrix, J, Shrader, W.D, Stephens, R, Cabuslay, R, Sanford, E, Young, W.B.
登録日2005-12-05
公開日2006-02-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Discovery of novel heterocyclic factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
5KXH
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BU of 5kxh by Molmil
mouse POFUT1 in complex with mouse Factor VII EGF1 and GDP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor VII, GDP-fucose protein O-fucosyltransferase 1, ...
著者Li, Z, Rini, J.M.
登録日2016-07-20
公開日2017-05-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1.
Nat. Chem. Biol., 13, 2017
5L0S
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human POGLUT1 in complex with Factor VII EGF1 and UDP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Li, Z, Rini, J.M.
登録日2016-07-28
公開日2017-08-09
最終更新日2021-03-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Nat Commun, 8, 2017
5KY3
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BU of 5ky3 by Molmil
mouse POFUT1 in complex with mouse Factor VII EGF1 mutant (T101A) and GDP-fucose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor VII, GDP-fucose protein O-fucosyltransferase 1, ...
著者Li, Z, Rini, J.M.
登録日2016-07-21
公開日2017-05-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1.
Nat. Chem. Biol., 13, 2017
5L0R
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human POGLUT1 in complex with Notch1 EGF12 and UDP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Li, Z, Rini, J.M.
登録日2016-07-28
公開日2017-08-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Nat Commun, 8, 2017
1TOZ
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NMR structure of the human NOTCH-1 ligand binding region
分子名称: Neurogenic locus notch homolog protein 1
著者Hambleton, S, Valeyev, N.Y, Muranyi, A, Knott, V, Werner, J.M, Mcmichael, A.J, Handford, P.A, Downing, A.K.
登録日2004-06-15
公開日2004-10-12
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Structural and functional properties of the human notch-1 ligand binding region
STRUCTURE, 12, 2004

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