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7SYE
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Cryo-EM structure of the extracellular module of the full-length EGFR bound to EGF. "tips-separated" conformation
分子名称: Epidermal growth factor, Epidermal growth factor receptor
著者Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J.
登録日2021-11-24
公開日2021-12-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
7SZ0
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BU of 7sz0 by Molmil
Cryo-EM structure of the extracellular module of the full-length EGFR L834R bound to EGF. "tips-juxtaposed" conformation
分子名称: Epidermal growth factor, Epidermal growth factor receptor
著者Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J.
登録日2021-11-25
公開日2021-12-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
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)
分子名称: (2~{S})-2-methyl-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2022-06-29
公開日2023-07-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献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)
分子名称: (2R)-2-hydroxypentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2022-06-29
公開日2023-07-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献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
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)
分子名称: (2S)-2-HYDROXYPENTANEDIOIC ACID, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2022-06-29
公開日2023-07-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献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
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)
分子名称: (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2022-06-29
公開日2023-07-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献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
6EYK
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BU of 6eyk by Molmil
E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand NV355
分子名称: (2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R},3~{S})-3-methyl-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-cyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T.
登録日2017-11-13
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献E-selectin lectin with different glycomimetic ligands
To Be Published
6EYJ
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BU of 6eyj by Molmil
E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand NV354
分子名称: (2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(1~{R},2~{R})-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxycyclohexyl]oxy-oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T.
登録日2017-11-13
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献E-selectin lectin with different glycomimetic ligands
To Be Published
6EYI
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BU of 6eyi by Molmil
E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand BW69669
分子名称: (2~{R})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T.
登録日2017-11-13
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献E-selectin lectin with different glycomimetic ligands
To Be Published
5W58
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BU of 5w58 by Molmil
Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor)
分子名称: (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J.
登録日2017-06-14
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.267 Å)
主引用文献Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site.
J. Biol. Chem., 293, 2018
5F84
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BU of 5f84 by Molmil
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2020-07-29
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
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)
分子名称: 2-OXOGLUTARIC 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2024-02-07
実験手法X-RAY DIFFRACTION (2.27 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
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)
分子名称: 2,2-dimethyl-4-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2024-02-07
実験手法X-RAY DIFFRACTION (2.29 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
6Z6Q
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BU of 6z6q by Molmil
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2024-02-07
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2024-02-07
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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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)
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2024-01-24
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
5UB5
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BU of 5ub5 by Molmil
human POGLUT1 in complex with human Notch1 EGF12 S458T mutant and UDP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurogenic locus notch homolog protein 1, ...
著者Li, Z, Rini, J.M.
登録日2016-12-20
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.089 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
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2018-04-18
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
5VC1
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BU of 5vc1 by Molmil
Crystal structure of L-selectin lectin/EGF domains
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Wedepohl, S, Dernedde, J, Vahedi-Faridi, A, Tauber, R, Saenger, W, Bulut, H.
登録日2017-03-30
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献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
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2018-04-18
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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BU of 5fma by Molmil
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2024-01-10
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
5UK5
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BU of 5uk5 by Molmil
Complex of Notch1(EGF8-12) bound to Jagged1(N-EGF3)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Garcia, K.C, Luca, V.C.
登録日2017-01-19
公開日2017-03-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献Notch-Jagged complex structure implicates a catch bond in tuning ligand sensitivity.
Science, 355, 2017
5FM9
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BU of 5fm9 by Molmil
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2024-01-10
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
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
分子名称: 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, ...
著者Vecchio, A.J, Malkowski, M.G.
登録日2011-09-27
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Investigating Substrate Promiscuity in Cyclooxygenase-2: THE ROLE OF ARG-120 AND RESIDUES LINING THE HYDROPHOBIC GROOVE.
J.Biol.Chem., 287, 2012
3SW2
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X-ray crystal structure of human FXA in complex with 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide
分子名称: 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X, ...
著者Klei, H.E.
登録日2011-07-13
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Arylsulfonamidopiperidone derivatives as a novel class of factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011

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