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6T8S
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BU of 6t8s by Molmil
Structure of the major Type IV pilin PilA1 from Clostridium difficile
Descriptor: Pilin
Authors:Crawshaw, A.D, Basle, A, Salgado, P.S.
Deposit date:2019-10-24
Release date:2020-03-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A practical overview of molecular replacement: Clostridioides difficile PilA1, a difficult case study.
Acta Crystallogr D Struct Biol, 76, 2020
5DRU
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BU of 5dru by Molmil
Structure of His387Ala mutant of the propionaldehyde dehydrogenase from the Clostridium phytofermentans fucose utilisation bacterial microcompartment
Descriptor: Aldehyde Dehydrogenase, SULFATE ION
Authors:Tuck, L.R, Altenbach, K, Fu, A.T, Crawshaw, A.D, Campopiano, D.J, Clarke, D.J, Marles-Wright, J.
Deposit date:2015-09-16
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.083 Å)
Cite:Insight into Coenzyme A cofactor binding and the mechanism of acyl-transfer in an acylating aldehyde dehydrogenase from Clostridium phytofermentans.
Sci Rep, 6, 2016
5DBV
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BU of 5dbv by Molmil
Structure of a C269A mutant of propionaldehyde dehydrogenase from the Clostridium phytofermentans fucose utilisation bacterial microcompartment
Descriptor: ACETATE ION, Aldehyde Dehydrogenase, COENZYME A, ...
Authors:Tuck, L.R, Altenbach, K, Ang, T.F, Crawshaw, A.D, Campopiano, D.J, Clarke, D.J, Marles-Wright, J.
Deposit date:2015-08-22
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Insight into Coenzyme A cofactor binding and the mechanism of acyl-transfer in an acylating aldehyde dehydrogenase from Clostridium phytofermentans.
Sci Rep, 6, 2016
6YB7
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BU of 6yb7 by Molmil
SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19).
Descriptor: 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE
Authors:Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A.
Deposit date:2020-03-16
Release date:2020-03-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:COVID-19 main protease with unliganded active site
To Be Published
6Y84
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BU of 6y84 by Molmil
SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19)
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A.
Deposit date:2020-03-03
Release date:2020-03-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:COVID-19 main protease with unliganded active site
To Be Published
8B2T
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BU of 8b2t by Molmil
SARS-CoV-2 Main Protease (Mpro) in complex with nirmatrelvir alkyne
Descriptor: 3C-like proteinase nsp5, Nirmatrelvir (reacted form)
Authors:Owen, C.D, Crawshaw, A.D, Warren, A.J, Trincao, J, Zhao, Y, Brewitz, L, Malla, T.R, Salah, E, Petra, L, Strain-Damerell, C, Schofield, C.J, Walsh, M.A.
Deposit date:2022-09-14
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Alkyne Derivatives of SARS-CoV-2 Main Protease Inhibitors Including Nirmatrelvir Inhibit by Reacting Covalently with the Nucleophilic Cysteine.
J.Med.Chem., 66, 2023
4C3S
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BU of 4c3s by Molmil
Structure of a propionaldehyde dehydrogenase from the Clostridium phytofermentans fucose utilisation bacterial microcompartment
Descriptor: ALDEHYDE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Marles-Wright, J, Crawshaw, A, Ang, T.F, Altenbach, K.
Deposit date:2013-08-27
Release date:2013-09-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Insight Into Coenzyme a Cofactor Binding and the Mechanism of Acyl-Transfer in an Acylating Aldehyde Dehydrogenase from Clostridium Phytofermentans.
Sci.Rep., 6, 2016
8QQC
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BU of 8qqc by Molmil
Crystal structure of Lymantria dispar CPV14 polyhedra single crystal
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin
Authors:Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G.
Deposit date:2023-10-04
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
8QPH
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BU of 8qph by Molmil
Crystal structure of Lymantria dispar CPV14 polyhedra 14 crystals
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin
Authors:Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G.
Deposit date:2023-10-02
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
4ZXR
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BU of 4zxr by Molmil
Structure of Thaumatin wrapped in graphene within vacuum
Descriptor: GLYCEROL, L(+)-TARTARIC ACID, Thaumatin-1
Authors:Aller, P, Warren, A.J, Trincao, J, Evans, G.
Deposit date:2015-05-20
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:In vacuo X-ray data collection from graphene-wrapped protein crystals.
Acta Crystallogr.,Sect.D, 71, 2015
8BBT
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BU of 8bbt by Molmil
Native Tipula oleracea Nudivirus polyhedrin - 1960
Descriptor: CALCIUM ION, MOBP
Authors:Keown, J.R, Grimes, J.M.
Deposit date:2022-10-14
Release date:2023-07-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Atomic structure of a nudivirus occlusion body protein determined from a 70-year-old crystal sample.
Nat Commun, 14, 2023
8BCK
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BU of 8bck by Molmil
Recombinant Tipula oleracea Nudivirus polyhedrin
Descriptor: CALCIUM ION, MOBP
Authors:Keown, J.R, Grimes, J.M.
Deposit date:2022-10-16
Release date:2023-07-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Atomic structure of a nudivirus occlusion body protein determined from a 70-year-old crystal sample.
Nat Commun, 14, 2023
8BC5
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BU of 8bc5 by Molmil
Recombinant Tipula oleracea Nudivirus Polyhedrin - Selenomethionine
Descriptor: CALCIUM ION, MOBP
Authors:Keown, J.R, Grimes, J.M.
Deposit date:2022-10-15
Release date:2023-07-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Atomic structure of a nudivirus occlusion body protein determined from a 70-year-old crystal sample.
Nat Commun, 14, 2023
8BCL
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BU of 8bcl by Molmil
Recombinant Tipula oleracea Nudivirus polyhedrin Expanded unit cell
Descriptor: MOBP
Authors:Keown, J.R, Grimes, J.M.
Deposit date:2022-10-16
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Atomic structure of a nudivirus occlusion body protein determined from a 70-year-old crystal sample.
Nat Commun, 14, 2023

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PDB entries from 2024-04-17

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