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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
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Owen, R.L, Axford, D, Sherrell, D, Mueller-Werkmeister, H.
Deposit date:2017-05-25
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Axford, D, Owen, R.L, Sherrell, D, Muller-Werkmeister, H.
Deposit date:2016-10-17
Release date:2016-12-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Low-dose fixed-target serial synchrotron crystallography.
Acta Crystallogr D Struct Biol, 73, 2017
7ZMJ
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BU of 7zmj by Molmil
SFX structure of dye-type peroxidase DtpB R243A variant in the ferric state
Descriptor: MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Putative dye-decolorizing peroxidase (DyP), ...
Authors:Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S.
Deposit date:2022-04-19
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
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.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Affimer F4 with specificity for Fc gamma receptor IIIa, CHLORIDE ION, ...
Authors: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.
Deposit date:2016-12-06
Release date:2017-12-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Affimer G3, DI(HYDROXYETHYL)ETHER, ...
Authors: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.
Deposit date:2016-12-12
Release date:2017-12-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
7QT9
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BU of 7qt9 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011584
Descriptor: 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
Authors:Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
7QT8
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BU of 7qt8 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound ABT-957
Descriptor: (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
Authors:Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
Descriptor: 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.26 Å)
Cite: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
Descriptor: 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
Authors:Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 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
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors: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.
Deposit date:2016-05-02
Release date:2016-08-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fixed target combined with spectral mapping: approaching 100% hit rates for serial crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
4N6U
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BU of 4n6u by Molmil
Adhiron: a stable and versatile peptide display scaffold - truncated adhiron
Descriptor: Adhiron
Authors:Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J.
Deposit date:2013-10-14
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
6YRD
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BU of 6yrd by Molmil
SFX structure of dye-type peroxidase DtpB in the ferryl state
Descriptor: MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lucic, M, Axford, D.A, Owen, R.L, Worrall, J.A.R, Hough, M.A.
Deposit date:2020-04-20
Release date:2021-01-13
Last modified:2021-01-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Putative iron-dependent peroxidase
Authors:Lucic, M, Axford, D.A, Owen, R.L, Worrall, J.A.R, Hough, M.A.
Deposit date:2020-04-20
Release date:2021-01-13
Last modified:2021-01-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
4N6T
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BU of 4n6t by Molmil
Adhiron: a stable and versatile peptide display scaffold - full length adhiron
Descriptor: Adhiron
Authors:Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J.
Deposit date:2013-10-14
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
6HAL
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BU of 6hal by Molmil
Human carbonmonoxy hemoglobin SFX dataset
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors: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.
Deposit date:2018-08-07
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallography on a chip - without the chip: sheet-on-sheet sandwich.
Acta Crystallogr D Struct Biol, 74, 2018
7QZE
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BU of 7qze by Molmil
SFX structure of dye-type peroxidase DtpB D152A variant in the ferryl state
Descriptor: Dyp-type peroxidase family, MAGNESIUM ION, OXYGEN ATOM, ...
Authors:Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S.
Deposit date:2022-01-31
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
7QZH
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BU of 7qzh by Molmil
SFX structure of dye-type peroxidase DtpB D152A variant in the ferric state
Descriptor: Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S.
Deposit date:2022-01-31
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite: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
Descriptor: Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S.
Deposit date:2022-01-31
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Owen, R.L, Axford, D, Tosha, T, Sugimoto, H, Owada, S.
Deposit date:2022-01-31
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
Deposit date:2018-12-03
Release date:2019-07-31
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite: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
Descriptor: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
Deposit date:2018-12-03
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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
Descriptor: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
Deposit date:2018-12-04
Release date:2019-07-31
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite: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
Descriptor: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
Deposit date:2018-12-04
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
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
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION
Authors: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.
Deposit date:2019-03-05
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography.
Iucrj, 6, 2019

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