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PDB: 42681 件
7GLM
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-5cd9ea36-21 (Mpro-P1990)
分子名称: (4S)-6-chloro-2-[(2-cyanoethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
5O28
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E. coli FolD apo
分子名称: Bifunctional protein FolD
著者Koehnke, J, Sikandar, A.
登録日2017-05-19
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD.
Nat Commun, 8, 2017
7GM1
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-2e8b2191-10 (Mpro-P2072)
分子名称: (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.939 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GME
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BU of 7gme by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-90fd5f68-38 (Mpro-P2177)
分子名称: 3C-like proteinase, 4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carboxylic acid, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.846 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GMU
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-90fd5f68-22 (Mpro-P2219)
分子名称: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.737 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GNA
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-4483ae88-4 (Mpro-P2415)
分子名称: (4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
8AEB
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BU of 8aeb by Molmil
SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(pyridin-3-ylmethyl)thioformamide, ...
著者Hanoulle, X, Charton, J, Deprez, B.
登録日2022-07-12
公開日2023-03-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses.
Eur.J.Med.Chem., 250, 2023
5NUM
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BU of 5num by Molmil
Engineered beta-lactoglobulin: variant F105L-L39A in complex with chlorpromazine (LG-LA-CLP)
分子名称: 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Beta-lactoglobulin, PHOSPHATE ION
著者Loch, J.I, Bonarek, P, Tworzydlo, M, Lazinska, I, Szydlowska, J, Lewinski, K.
登録日2017-04-30
公開日2018-04-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers.
Int. J. Biol. Macromol., 114, 2018
5NUJ
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Engineered beta-lactoglobulin: variant I56F-L39A in complex with chlorpromazine (LG-FA-CLP)
分子名称: 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Beta-lactoglobulin
著者Loch, J.I, Bonarek, P, Tworzydlo, M, Lazinska, I, Szydlowska, J, Lewinski, K.
登録日2017-04-30
公開日2018-04-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers.
Int. J. Biol. Macromol., 114, 2018
6W0X
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BU of 6w0x by Molmil
Structure of KHK in complex with compound 4 (6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile)
分子名称: 6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, Ketohexokinase, SULFATE ION
著者Jasti, J.
登録日2020-03-03
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
8ASU
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BU of 8asu by Molmil
The Crystal structure of short F46Y agroavidin - biotin complex
分子名称: Agroavidin, BIOTIN
著者Livnah, O, Bana, J.
登録日2022-08-21
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Self-assembly of a dimeric avidin into unique higher-order oligomers.
Febs J., 290, 2023
8AMH
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BU of 8amh by Molmil
The Crystal structure of wt apo agroavidin
分子名称: Agroavidin
著者Livnah, O, Bana, J.
登録日2022-08-03
公開日2023-04-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Self-assembly of a dimeric avidin into unique higher-order oligomers.
Febs J., 290, 2023
6ROZ
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BU of 6roz by Molmil
Structure of the N-SH2 domain of the human tyrosine-protein phosphatase non-receptor type 11 in complex with the phosphorylated immune receptor tyrosine-based switch motif
分子名称: Tyrosine-protein phosphatase non-receptor type 11, immune receptor tyrosine-based switch motif (ITSM)
著者Krausze, J, Sikorska, J, Carlomagno, T.
登録日2019-05-13
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Molecular mechanism of SHP2 activation by PD-1 stimulation.
Sci Adv, 6, 2020
4ZRD
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BU of 4zrd by Molmil
Crystal structure of SMG1 F278N mutant
分子名称: GLYCEROL, LIP1, secretory lipase (Family 3), ...
著者Xu, J, Xu, H, Hou, S, Liu, J.
登録日2015-05-12
公開日2015-09-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of product-bound SMG1 lipase: active site gating implications.
Febs J., 282, 2015
7MU8
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BU of 7mu8 by Molmil
Structure of the minimally glycosylated human CEACAM1 N-terminal domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carcinoembryonic antigen-related cell adhesion molecule 1, GLYCEROL, ...
著者Belcher Dufrisne, M, Swope, N, Kieber, M, Yang, J.Y, Han, J, Li, J, Moremen, K.W, Prestegard, J.H, Columbus, L.
登録日2021-05-14
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Human CEACAM1 N-domain dimerization is independent from glycan modifications.
Structure, 30, 2022
5O2A
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FolD Q98H
分子名称: Bifunctional protein FolD
著者Koehnke, J, Sikandar, A.
登録日2017-05-19
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD.
Nat Commun, 8, 2017
5O46
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Crystal structure of Iristatin, a secreted salivary cystatin from the hard tick Ixodes ricinus
分子名称: GLYCEROL, Iristatin
著者Busa, M, Rezacova, P, Kotal, J, Kotsyfakis, M, Mares, M.
登録日2017-05-26
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The structure and function of Iristatin, a novel immunosuppressive tick salivary cystatin.
Cell.Mol.Life Sci., 76, 2019
8UT9
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CryoEM structure of A/Shanghai/1/2013 H7 in complex with polyclonal Fab from mice immunized with H7 stem nanoparticles-28 days post immunization
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-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Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT7
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CryoEM structure of A/Perth/16/2009 H3 in complex with polyclonal Fab from mice immunized with H3 stem nanoparticles-28 days post immunization
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, H3D28 pFab HC Fv_polyA, ...
著者Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8Q19
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The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
分子名称: 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
著者Leitans, J, Tars, K.
登録日2023-07-31
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8UT3
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CryoEM structure of A/Perth/16/2009 H3 in complex with flu HA central stem VH1-18 antibody UCA6
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, Hemagglutinin, ...
著者Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT8
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BU of 8ut8 by Molmil
CryoEM structure of A/Shanghai/1/2013 H7 in complex with polyclonal Fab from mice immunized with H7 stem nanoparticles-15 days post-immunization
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-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Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8Q18
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The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
分子名称: 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
著者Leitans, J, Tars, K.
登録日2023-07-31
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q1A
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The Crystal Structure of Human Carbonic Anhydrase IX in Complex with inhibitor
分子名称: 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
著者Leitans, J, Tars, K.
登録日2023-07-31
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8UT6
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CryoEM structure of A/Perth/16/2009 H3 in complex with polyclonal Fab from mice immunized with H3 stem nanoparticles-15 days post immunization
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, H3D15 pFab HC Fv_polyA, ...
著者Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024

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件を2024-09-11に公開中

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