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PDB: 509 件

7OAQ
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BU of 7oaq by Molmil
Nanobody H3 AND C1 bound to RBD with Kent mutation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAP
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BU of 7oap by Molmil
Nanobody H3 AND C1 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C1 nanobody, CHLORIDE ION, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-19
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAY
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BU of 7oay by Molmil
Nanobody F2 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 nanobody, Spike protein S1
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAU
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BU of 7oau by Molmil
Nanobody C5 bound to Kent variant RBD (N501Y)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C5, GLYCEROL, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7S6E
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BU of 7s6e by Molmil
Crystal structure of UrtA from Synechococcus CC9311 in complex with urea and calcium
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Shah, B.S, Mikolajek, H, Mykhaylyk, V, Orr, C.M, Owens, R.J, Paulsen, I.T.
登録日2021-09-14
公開日2021-10-13
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献Crystal structure of UrtA from Synechococcus CC9311 in complex with urea and calcium
To Be Published
7S6F
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BU of 7s6f by Molmil
Crystal structure of UrtA1 from Synechococcus WH8102 in complex with urea and calcium
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Putative urea ABC transporter, ...
著者Shah, B.S, Mikolajek, H, Orr, C.M, Mykhaylyk, V, Owens, R.J, Paulsen, I.T.
登録日2021-09-14
公開日2021-10-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of UrtA1 from Synechococcus WH8102 in complex with urea and calcium
To Be Published
6SVA
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BU of 6sva by Molmil
Multicrystal structure of equine Haemoglobin at room temperature using a multilayer monochromator.
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Sandy, J, Sanchez-Weatherby, J, Mikolajek, H, Lewis, G, Angus, R.
登録日2019-09-18
公開日2019-11-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Protein-to-structure pipeline for ambient-temperature crystallography at VMXi
Iucrj, 2023
7OAO
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BU of 7oao by Molmil
Nanobody C5 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C5 nanobody, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-19
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
8BS8
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BU of 8bs8 by Molmil
Bovine naive ultralong antibody AbD08 collected at 100K
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heavy chain, Light chain
著者Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J.
登録日2022-11-24
公開日2023-05-24
最終更新日2023-07-19
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi.
Iucrj, 10, 2023
8RGY
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BU of 8rgy by Molmil
Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa, 8 drops merged
分子名称: Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE
著者Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J.
登録日2023-12-14
公開日2023-12-27
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Efficient in situ screening of and data collection from microcrystals in crystallization plates.
Acta Crystallogr D Struct Biol, 80, 2024
8RGW
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BU of 8rgw by Molmil
Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa, 12 drops merged
分子名称: Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE
著者Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J.
登録日2023-12-14
公開日2023-12-27
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Efficient in situ screening of and data collection from microcrystals in crystallization plates.
Acta Crystallogr D Struct Biol, 80, 2024
8RGS
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BU of 8rgs by Molmil
Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa
分子名称: Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE
著者Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J.
登録日2023-12-14
公開日2023-12-27
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Efficient in situ screening of and data collection from microcrystals in crystallization plates.
Acta Crystallogr D Struct Biol, 80, 2024
8A9D
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BU of 8a9d by Molmil
Multicrystal room temperature structure of Lysozyme collected using a double multilayer monochromator.
分子名称: Lysozyme, SODIUM ION
著者Sandy, J, Cheruvara, H, Mikolajek, H, Sanchez-Weatherby, J.
登録日2022-06-28
公開日2022-07-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi.
Iucrj, 10, 2023
8ANX
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BU of 8anx by Molmil
E329A Mutant Thermogutta terrifontis endoglucanase catalytic domain with C-linker from glycoside hydrolase family 5 (TtEnd5A-CDC-E329A)
分子名称: Endoglucanase
著者Hussain, N, Mikolajek, H, Naismith, J.H.
登録日2022-08-06
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献TtEnd5A-CDC-E329A
To Be Published
8AG9
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BU of 8ag9 by Molmil
Thermogutta terrifontis endoglucanase of glycoside hydrolase family 5 (TtEnd5A)
分子名称: Endoglucanase, SULFATE ION
著者Hussain, N, Mikolajek, H, Naismith, J.H.
登録日2022-07-19
公開日2022-08-17
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Thermogutta terrifontis endoglucanase of glycoside hydrolase family 5 (TtEnd5A)
To Be Published
8B3Y
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BU of 8b3y by Molmil
Native Thermogutta terrifontis endoglucanase catalytic domain with a linker at C-terminal from glycoside hydrolase family 5 (TtEnd5A-CDC)
分子名称: Endoglucanase, SULFATE ION
著者Hussain, N, Naismith, J.H, Mikolajek, H.
登録日2022-09-17
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Native Thermogutta terrifontis endoglucanase catalytic domain and linker at C-terminal from glycoside hydrolase family 5 (TtEnd5A-CDC)
To Be Published
6YZ5
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BU of 6yz5 by Molmil
H11-D4 complex with SARS-CoV-2 RBD
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Naismith, J.H, Huo, J, Mikolajek, H, Ward, P, Dumoux, M, Owens, R.J, Le Bas, A.
登録日2020-05-06
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献H11-D4 complex with SARS-CoV-2 RBD
To Be Published
6ZBP
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BU of 6zbp by Molmil
H11-H4 complex with SARS-CoV-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, H11-H4, SULFATE ION, ...
著者Naismith, J.H, Huo, J, Mikolajek, H, Ward, P, Dumoux, M, Owens, R.J, LeBas, A.
登録日2020-06-08
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献H11-D4 complex with SARS-CoV-2 RBD
To Be Published
7GLT
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BU of 7glt 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-4223bc15-12 (Mpro-P2017)
分子名称: (4S)-6-chloro-2-[(1-cyanocyclobutyl)methanesulfonyl]-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 (1.863 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GJK
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BU of 7gjk 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 RAL-THA-4aa06b95-7 (Mpro-P0578)
分子名称: (4S)-6-chloro-N-(isoquinolin-4-yl)-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide, 3C-like proteinase, 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 (2.1 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GI5
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BU of 7gi5 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 BRU-THA-92256091-17 (Mpro-P0053)
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 (2 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GI8
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BU of 7gi8 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 MIC-UNK-45817b9b-1 (Mpro-P0060)
分子名称: (4R)-6-chloro-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-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 (1.8 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GID
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BU of 7gid 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 RAL-THA-2d450e86-1 (Mpro-P0066)
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 (1.9 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GIK
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BU of 7gik 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-1f3f1a6f-1 (Mpro-P0098)
分子名称: (2R)-2-amino-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)acetamide, 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 (2.09 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GJ2
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BU of 7gj2 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 EDG-MED-70ae9412-1 (Mpro-P0154)
分子名称: (4R)-6-chloro-4-{[2-(1H-imidazol-1-yl)acetamido]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, 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 (1.87 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023

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件を2024-06-12に公開中

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