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PDB: 5587 件
4P35
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Crystal structure of DJ-1 with Zinc(II) bound (crystal I)
分子名称: CHLORIDE ION, GLYCEROL, Protein DJ-1, ...
著者Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
登録日2014-03-05
公開日2014-04-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
1E96
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BU of 1e96 by Molmil
Structure of the Rac/p67phox complex
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, NEUTROPHIL CYTOSOL FACTOR 2 (NCF-2) TPR DOMAIN, ...
著者Lapouge, K, Smith, S.J.M, Walker, P.A, Gamblin, S.J, Smerdon, S.J, Rittinger, K.
登録日2000-10-10
公開日2000-11-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the TPR domain of p67phox in complex with Rac.GTP.
Mol.Cell, 6, 2000
1EIS
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BU of 1eis by Molmil
UDA UNCOMPLEXED FORM. CRYSTAL STRUCTURE OF URTICA DIOICA AGGLUTININ, A SUPERANTIGEN PRESENTED BY MHC MOLECULES OF CLASS I AND CLASS II
分子名称: PROTEIN (AGGLUTININ ISOLECTIN VI/AGGLUTININ ISOLECTIN V)
著者Saul, F.A, Rovira, P, Boulot, G, Van Damme, E.J.M, Peumans, W.J, Truffa-Bachi, P, Bentley, G.A.
登録日2000-02-28
公開日2000-06-21
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of Urtica dioica agglutinin, a superantigen presented by MHC molecules of class I and class II.
Structure Fold.Des., 8, 2000
1ENM
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UDA TRISACCHARIDE COMPLEX. CRYSTAL STRUCTURE OF URTICA DIOICA AGGLUTININ, A SUPERANTIGEN PRESENTED BY MHC MOLECULES OF CLASS I AND CLASS II
分子名称: 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, AGGLUTININ ISOLECTIN I/AGGLUTININ ISOLECTIN V/ AGGLUTININ ISOLECTIN VI
著者Saul, F.A, Rovira, P, Boulot, G, Van Damme, E.J.M, Peumans, W.J, Truffa-Bachi, P, Bentley, G.A.
登録日2000-03-21
公開日2000-06-21
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Urtica dioica agglutinin, a superantigen presented by MHC molecules of class I and class II.
Structure Fold.Des., 8, 2000
7Z5L
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Crystal structure of human insulin, crystallised in the presence of macrophage migration inhibitory factor (MIF) and dimethyl sulfoxide (DMSO)
分子名称: GLYCEROL, Insulin A chain, Insulin B chain, ...
著者van den Elsen, J.M.H, Wahid, A.A, Crennell, C.
登録日2022-03-09
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Dissociation of Hexameric Insulin Facilitated by Macrophage Migration Inhibitory Factor Indicates a Novel Role in Insulin Signalling
To Be Published
7Z5Q
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Crystal structure of human insulin, crystallised in the presence of macrophage migration inhibitory factor (MIF) and p-Hydroxyphenylpyruvate (HPP)
分子名称: Insulin, Insulin A chain, SULFATE ION
著者van den Elsen, J.M.H, Wahid, A.A, Crennell, S.J.
登録日2022-03-09
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dissociation of Hexameric Insulin Facilitated by Macrophage Migration Inhibitory Factor Indicates a Novel Role in Insulin Signalling
To Be Published
1EN2
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BU of 1en2 by Molmil
UDA TETRASACCHARIDE COMPLEX. CRYSTAL STRUCTURE OF URTICA DIOICA AGGLUTININ, A SUPERANTIGEN PRESENTED BY MHC MOLECULES OF CLASS I AND CLASS II
分子名称: 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AGGLUTININ ISOLECTIN I/AGGLUTININ ISOLECTIN V/ AGGLUTININ ISOLECTIN VI
著者Saul, F.A, Rovira, P, Boulot, G, Van Damme, E.J.M, Peumans, W.J, Truffa-Bachi, P, Bentley, G.A.
登録日2000-03-20
公開日2000-06-21
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of Urtica dioica agglutinin, a superantigen presented by MHC molecules of class I and class II.
Structure Fold.Des., 8, 2000
8C5L
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NR2F6 ligand binding domain in complex with NSD1 peptide
分子名称: Histone-lysine N-methyltransferase, H3 lysine-36 specific, Maltose/maltodextrin-binding periplasmic protein,Nuclear receptor subfamily 2 group F member 6, ...
著者Oerlemans, G.J.M, van den Oetelaar, M.C.M, Brunsveld, L.
登録日2023-01-09
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insights into coregulator recruitment to the autorepressed NR2F6 nuclear receptor
To Be Published
7NPC
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ROR(gamma)t ligand binding domain in complex with allosteric ligand FM156
分子名称: 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma
著者de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
登録日2021-02-26
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t.
J.Med.Chem., 64, 2021
7NEC
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BU of 7nec by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM217
分子名称: 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, Nuclear receptor ROR-gamma
著者Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
登録日2021-02-03
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t.
J.Med.Chem., 64, 2021
6RMT
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Crystal structure of disulphide-linked human C3d dimer
分子名称: CHLORIDE ION, Complement C3
著者Wahid, A.A, van den Elsen, J.M.H, Crennell, S.J.
登録日2019-05-07
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights Into the Structure-Function Relationships of Dimeric C3d Fragments.
Front Immunol, 12, 2021
6RRX
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GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3R)-2-(Hydroxymethyl)-3-piperidinol
分子名称: (2~{S},3~{R})-2-(hydroxymethyl)piperidin-3-ol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ...
著者Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2019-05-20
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
6RRJ
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BU of 6rrj by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with 5-(Adamantan-1yl-methoxy)-pentyl 2,5-dideoxy-2,5-imino-D-talo-hexonamide
分子名称: (2~{S},3~{R},4~{S},5~{R})-~{N}-[5-(1-adamantylmethoxy)pentyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ...
著者Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2019-05-20
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
6RRU
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GOLGI ALPHA-MANNOSIDASE II in complex with (5R,6R,7S,8S)-5,6,7,8-tetrahydro-5-(hydroxymethyl)-3-(3-phenylpropyl)imidazo[1,2-a]pyridine-6,7,8-triol
分子名称: (5~{R},6~{R},7~{S},8~{S})-5-(hydroxymethyl)-2-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol, Alpha-mannosidase 2, ZINC ION
著者Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2019-05-20
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
3VGN
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BU of 3vgn by Molmil
Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 3-fluoro-4-nitrophenol
分子名称: 3-fluoro-4-nitrophenol, Steroid Delta-isomerase
著者Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P.A.
登録日2011-08-16
公開日2012-08-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Quantitative dissection of hydrogen bond-mediated proton transfer in the ketosteroid isomerase active site
Proc.Natl.Acad.Sci.USA, 110, 2013
3VUA
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Apo IsdH-NEAT3 in space group P3121 at a resolution of 1.85 A
分子名称: ACETATE ION, GLYCEROL, Iron-regulated surface determinant protein H, ...
著者Vu, N.T, Caaveiro, J.M.M, Moriwaki, Y, Tsumoto, K.
登録日2012-06-26
公開日2013-06-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Indium-porphyrin
To be Published
7EKB
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Crystal structure of 4E10 modified with pyrene acetamide
分子名称: ACETATE ION, Fab region of the heavy chain of broadly neutralizing antibody anti-HIV-1 4E10, Fab region of the light chain of the broadly neutralizing anti-HIV-1 antibody 4E10, ...
著者Caaveiro, J.M.M, Rujas, E, Nieva, J.L.
登録日2021-04-05
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile.
Iscience, 24, 2021
7EKK
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Anti-HIV-1 broadly neutralizing antibody delta-loop 4E10 modified with pyrene acetamide
分子名称: AMMONIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Caaveiro, J.M.M, Rujas, E, Nieva, J.L.
登録日2021-04-05
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile.
Iscience, 24, 2021
3VSY
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High-resolution crystal structure of wild-type KSI in the apo form at neutral pH
分子名称: SULFATE ION, Steroid Delta-isomerase
著者Caaveiro, J.M.M, Kobe, A, Tsumoto, K.
登録日2012-05-16
公開日2013-02-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Incorporation of rapid thermodynamic data in fragment-based drug discovery.
J.Med.Chem., 56, 2013
7EV1
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Crystal structure of LI-Cadherin EC1-2
分子名称: ACETATE ION, CALCIUM ION, Cadherin-17, ...
著者Caaveiro, J.M.M, Yui, A, Tsumoto, K.
登録日2021-05-19
公開日2021-06-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Mechanism of dimerization and structural features of human LI-cadherin.
J.Biol.Chem., 297, 2021
7WKI
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Structure of the ultra-affinity complex between CFH and a nanobody
分子名称: Anti-CFH nanobody (VHH), Complement factor H
著者Caaveiro, J.M.M, Yokoo, T, Tsumoto, K.
登録日2022-01-10
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Antibody recognition of complement factor H reveals a flexible loop involved in atypical hemolytic uremic syndrome pathogenesis.
J.Biol.Chem., 298, 2022
7F1D
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Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
分子名称: Beta-secretase 1, IODIDE ION, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
著者Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
登録日2021-06-09
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
7F1G
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BACE2 xaperone complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
分子名称: Beta-secretase 2, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide, XAPERONE
著者Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
登録日2021-06-09
公開日2022-02-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
7XLI
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Crystal structure of IsdB linker-NEAT2 bound to a nanobody (VHH)
分子名称: CALCIUM ION, CHLORIDE ION, Iron-regulated surface determinant protein B, ...
著者Caaveiro, J.M.M, Valenciano-Bellido, S, Tsumoto, K.
登録日2022-04-21
公開日2023-05-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Targeting hemoglobin receptors IsdH and IsdB of Staphylococcus aureus with a single VHH antibody inhibits bacterial growth.
J.Biol.Chem., 299, 2023
7XLD
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Crystal structure of IsdH linker-NEAT3 bound to a nanobody (VHH)
分子名称: Iron-regulated surface determinant protein H, MAGNESIUM ION, Nanobody VHH6, ...
著者Caaveiro, J.M.M, Valenciano-Bellido, S, Tsumoto, K.
登録日2022-04-21
公開日2023-05-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Targeting hemoglobin receptors IsdH and IsdB of Staphylococcus aureus with a single VHH antibody inhibits bacterial growth.
J.Biol.Chem., 299, 2023

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