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5O41
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BU of 5o41 by Molmil
Low-dose fixed target serial synchrotron crystallography structure of sperm whale myoglobin
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Owen, R.L, Axford, D, Sherrell, D, Mueller-Werkmeister, H.
登録日2017-05-25
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Low-dose fixed-target serial synchrotron crystallography.
Acta Crystallogr D Struct Biol, 73, 2017
5M3S
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BU of 5m3s by Molmil
Low-dose fixed target serial synchrotron crystallography structure of Metmyoglobin
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Axford, D, Owen, R.L, Sherrell, D, Muller-Werkmeister, H.
登録日2016-10-17
公開日2016-12-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Low-dose fixed-target serial synchrotron crystallography.
Acta Crystallogr D Struct Biol, 73, 2017
7QZH
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BU of 7qzh by Molmil
SFX structure of dye-type peroxidase DtpB D152A variant in the ferric state
分子名称: Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S.
登録日2022-01-31
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB.
Acs Catalysis, 12, 2022
7QZE
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BU of 7qze by Molmil
SFX structure of dye-type peroxidase DtpB D152A variant in the ferryl state
分子名称: Dyp-type peroxidase family, MAGNESIUM ION, OXYGEN ATOM, ...
著者Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S.
登録日2022-01-31
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB.
Acs Catalysis, 12, 2022
7QZF
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BU of 7qzf by Molmil
SFX structure of dye-type peroxidase DtpB D152A/N245A variant in the ferric state
分子名称: Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Owen, R.L, Axford, D, Tosha, T, Sugimoto, H, Owada, S.
登録日2022-01-31
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB.
Acs Catalysis, 12, 2022
7QZG
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BU of 7qzg by Molmil
SFX structure of dye-type peroxidase DtpB N245A variant in the ferric state
分子名称: Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S.
登録日2022-01-31
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB.
Acs Catalysis, 12, 2022
6Q34
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BU of 6q34 by Molmil
Dye type peroxidase Aa from Streptomyces lividans: 196 kGy structure
分子名称: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
登録日2018-12-03
公開日2019-07-31
最終更新日2019-09-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
6Q31
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BU of 6q31 by Molmil
Dye type peroxidase Aa from Streptomyces lividans: 156.8 kGy structure
分子名称: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
登録日2018-12-03
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
6Q3D
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BU of 6q3d by Molmil
Dye type peroxidase Aa from Streptomyces lividans: 235.2 kGy structure
分子名称: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
登録日2018-12-04
公開日2019-07-31
最終更新日2019-09-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
6Q3E
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BU of 6q3e by Molmil
Dye type peroxidase Aa from Streptomyces lividans: 274.4 kGy structure
分子名称: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
登録日2018-12-04
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
7QT8
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BU of 7qt8 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound ABT-957
分子名称: (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase
著者Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
登録日2022-01-14
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
7QT9
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BU of 7qt9 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011584
分子名称: DIMETHYL SULFOXIDE, N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide, Non-structural protein 6
著者Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
登録日2022-01-14
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
7QT5
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BU of 7qt5 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound Z31792168
分子名称: 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
登録日2022-01-14
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
7QT7
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BU of 7qt7 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011520
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
著者Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
登録日2022-01-14
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
7QT6
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BU of 7qt6 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound Z1367324110
分子名称: 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
登録日2022-01-14
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
6HAL
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BU of 6hal by Molmil
Human carbonmonoxy hemoglobin SFX dataset
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Doak, B, Gorel, A, Foucar, L, Barends, T.R.M, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C.M, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrell, D.A, Owen, R.L, Schlichting, I.
登録日2018-08-07
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallography on a chip - without the chip: sheet-on-sheet sandwich.
Acta Crystallogr D Struct Biol, 74, 2018
5ML9
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BU of 5ml9 by Molmil
Cocrystal structure of Fc gamma receptor IIIa interacting with Affimer F4, a specific binding protein which blocks IgG binding to the receptor.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Affimer F4 with specificity for Fc gamma receptor IIIa, CHLORIDE ION, ...
著者Robinson, J.I, Tomlinson, D.C, Baxter, E.W, Owen, R.L, Thomsen, M, Win, S.J, Nettleship, J.E, Tiede, C, Foster, R.J, Waterhouse, M.P, Harris, S.A, Owens, R.J, Fishwick, C.W.G, Goldman, A, McPherson, M.J, Morgan, A.W.
登録日2016-12-06
公開日2017-12-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Affimer proteins inhibit immune complex binding to Fc gamma RIIIa with high specificity through competitive and allosteric modes of action.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5MN2
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BU of 5mn2 by Molmil
Cocrystal structure of Fc gamma receptor IIIa interacting with Affimer G3, a specific binding protein which blocks IgG binding to the receptor.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Affimer G3, DI(HYDROXYETHYL)ETHER, ...
著者Robinson, J.I, Owen, R.L, Tomlinson, D.C, Baxter, E.W, Nettleship, J.E, Waterhouse, M.P, Harris, S.A, Owens, R.J, McPherson, M.J, Morgan, A.W, Tiede, C, Goldman, A, Thomsen, M.
登録日2016-12-12
公開日2017-12-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Affimer proteins inhibit immune complex binding to Fc gamma RIIIa with high specificity through competitive and allosteric modes of action.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6YRD
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BU of 6yrd by Molmil
SFX structure of dye-type peroxidase DtpB in the ferryl state
分子名称: MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Lucic, M, Axford, D.A, Owen, R.L, Worrall, J.A.R, Hough, M.A.
登録日2020-04-20
公開日2021-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YRJ
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BU of 6yrj by Molmil
SFX structure of dye-type peroxidase DtpB in the ferric state
分子名称: MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Putative iron-dependent peroxidase
著者Lucic, M, Axford, D.A, Owen, R.L, Worrall, J.A.R, Hough, M.A.
登録日2020-04-20
公開日2021-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation.
Angew.Chem.Int.Ed.Engl., 59, 2020
7ZMJ
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BU of 7zmj by Molmil
SFX structure of dye-type peroxidase DtpB R243A variant in the ferric state
分子名称: MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Putative dye-decolorizing peroxidase (DyP), ...
著者Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S.
登録日2022-04-19
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB.
Acs Catalysis, 12, 2022
5JOM
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BU of 5jom by Molmil
X-ray structure of CO-bound sperm whale myoglobin using a fixed target crystallography chip
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Oghbaey, S, Sarracini, A, Ginn, H.M, Pare-Labrosse, O, Kuo, A, Marx, A, Epp, S.W, Sherrell, D.A, Eger, B.T, Zhong, Y, Loch, R, Mariani, V, Alonso-Mori, R, Nelson, S, Lemke, H.T, Owen, R.L, Pearson, A.R, Stuart, D.I, Ernst, O.P, Mueller-Werkmeister, H.M, Miller, R.J.D.
登録日2016-05-02
公開日2016-08-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fixed target combined with spectral mapping: approaching 100% hit rates for serial crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
6QWG
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BU of 6qwg by Molmil
Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase from Achromobacter cycloclastes: Nitrite complex at Room Temperature
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION
著者Ebrahim, A.E, Moreno-Chicano, T, Appleby, M.V, Worrall, J.W, Duyvesteyn, H.M.E, Strange, R.W, Beale, J, Axford, D, Sherrell, D.A, Sugimoto, H, Owada, S, Tono, K, Owen, R.L.
登録日2019-03-05
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography.
Iucrj, 6, 2019
3ELQ
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BU of 3elq by Molmil
Crystal structure of a bacterial arylsulfate sulfotransferase
分子名称: Arylsulfate sulfotransferase, CHLORIDE ION, SULFATE ION
著者Malojcic, G, Owen, R.L, Grimshaw, J.P, Glockshuber, R.
登録日2008-09-23
公開日2008-11-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A structural and biochemical basis for PAPS-independent sulfuryl transfer by aryl sulfotransferase from uropathogenic Escherichia coli.
Proc.Natl.Acad.Sci.USA, 105, 2008
3E9J
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BU of 3e9j by Molmil
Structure of the charge-transfer intermediate of the transmembrane redox catalyst DsbB
分子名称: Thiol/disulfide oxidoreductase DsbA, Thiol/disulfide oxidoreductase DsbB, UBIQUINONE-1
著者Malojcic, G, Owen, R.L, Glockshuber, R.
登録日2008-08-22
公開日2008-11-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Preparation and structure of the charge-transfer intermediate of the transmembrane redox catalyst DsbB.
Febs Lett., 582, 2008

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