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7ROT
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BU of 7rot by Molmil
Plasmodium falciparum tyrosyl-tRNA synthetase, S234C mutant, in complex with ML901-Tyr
Descriptor: CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ...
Authors:Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W.
Deposit date:2021-08-02
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
7TBA
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BU of 7tba by Molmil
Pentraxin - ligand complex
Descriptor: C-reactive protein, CALCIUM ION, [3-(dibutylamino)propyl]phosphonic acid
Authors:Shing, K.S.C.T, Morton, C.J, Parker, M.W.
Deposit date:2021-12-21
Release date:2022-10-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:A novel phosphocholine-mimetic inhibits a pro-inflammatory conformational change in C-reactive protein.
Embo Mol Med, 15, 2023
8TC8
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BU of 8tc8 by Molmil
Human asparaginyl-tRNA synthetase bound to adenosine 5'-sulfamate
Descriptor: 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE, Asparagine--tRNA ligase, cytoplasmic, ...
Authors:Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W.
Deposit date:2023-06-30
Release date:2024-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
8TC9
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BU of 8tc9 by Molmil
Human asparaginyl-tRNA synthetase bound to OSM-S-106
Descriptor: Asparagine--tRNA ligase, cytoplasmic, GLYCEROL, ...
Authors:Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W.
Deposit date:2023-06-30
Release date:2024-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
8TC7
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BU of 8tc7 by Molmil
Human asparaginyl-tRNA synthetase, apo form
Descriptor: Asparagine--tRNA ligase, cytoplasmic, CHLORIDE ION, ...
Authors:Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W.
Deposit date:2023-06-30
Release date:2024-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
5DCG
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BU of 5dcg by Molmil
Crystal Structure of WT Apo Human Glutathione Transferase Pi
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glutathione S-transferase P, ...
Authors:Parker, L.J, Parker, M.W, Morton, C.J.
Deposit date:2015-08-24
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics
To Be Published
5DDL
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BU of 5ddl by Molmil
Crystal Structure of WT Human Glutathione Transferase Pi soaked with a metalloid then back-soaked with glutathione
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Di-glutathione-PhenylArsine, ...
Authors:Parker, L.J, Parker, M.W, Morton, C.J.
Deposit date:2015-08-25
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics
To Be Published
5DAK
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BU of 5dak by Molmil
Crystal Structure of human Glutathione Transferase Pi complexed with a metalloid in the absence of Glutathione
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ARSENIC, Glutathione S-transferase P
Authors:Parker, L.J, Parker, M.W, Morton, C.J.
Deposit date:2015-08-20
Release date:2016-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics
To Be Published
5DAL
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BU of 5dal by Molmil
Crystal Structure of human Glutathione Transferase Pi complexed with a metalloid in the presence of Glutathione
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Di-glutathione-PhenylArsine, GLUTATHIONE, ...
Authors:Parker, L.J, Parker, M.W, Morton, C.J.
Deposit date:2015-08-20
Release date:2016-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics
To Be Published
1OWT
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BU of 1owt by Molmil
Structure of the Alzheimer's disease amyloid precursor protein copper binding domain
Descriptor: Amyloid beta A4 protein
Authors:Barnham, K.J, McKinstry, W.J, Multhaup, G, Galatis, D, Morton, C.J, Curtain, C.C, Williamson, N.A, White, A.R, Hinds, M.G, Norton, R.S, Beyreuther, K, Masters, C.L, Parker, M.W, Cappai, R.
Deposit date:2003-03-30
Release date:2003-05-13
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Structure of the Alzheimer's Disease Amyloid Precursor Protein Copper Binding Domain. A REGULATOR OF NEURONAL COPPER HOMEOSTASIS.
J.Biol.Chem., 278, 2003
1AOU
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BU of 1aou by Molmil
NMR STRUCTURE OF THE FYN SH2 DOMAIN COMPLEXED WITH A PHOSPHOTYROSYL PEPTIDE, 22 STRUCTURES
Descriptor: FYN PROTEIN-TYROSINE KINASE, PHOSPHOTYROSYL PEPTIDE
Authors:Mulhern, T.D, Shaw, G.L, Morton, C.J, Day, A.J, Campbell, I.D.
Deposit date:1997-07-10
Release date:1998-01-14
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:The SH2 domain from the tyrosine kinase Fyn in complex with a phosphotyrosyl peptide reveals insights into domain stability and binding specificity.
Structure, 5, 1997
1AOT
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BU of 1aot by Molmil
NMR STRUCTURE OF THE FYN SH2 DOMAIN COMPLEXED WITH A PHOSPHOTYROSYL PEPTIDE, MINIMIZED AVERAGE STRUCTURE
Descriptor: FYN PROTEIN-TYROSINE KINASE, PHOSPHOTYROSYL PEPTIDE
Authors:Mulhern, T.D, Shaw, G.L, Morton, C.J, Day, A.J, Campbell, I.D.
Deposit date:1997-07-10
Release date:1998-01-14
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:The SH2 domain from the tyrosine kinase Fyn in complex with a phosphotyrosyl peptide reveals insights into domain stability and binding specificity.
Structure, 5, 1997
7LXV
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BU of 7lxv by Molmil
Structure of human 20S proteasome with bound MPI-5
Descriptor: N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
Authors:Metcalfe, R.D, Morton, C.J, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W.
Deposit date:2021-03-05
Release date:2021-09-22
Last modified:2022-04-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LXU
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BU of 7lxu by Molmil
Structure of Plasmodium falciparum 20S proteasome with bound MPI-5
Descriptor: 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ...
Authors:Metcalfe, R.D, Morton, C.J, Xie, S.C, Liu, B, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W.
Deposit date:2021-03-05
Release date:2021-09-22
Last modified:2022-04-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome.
Proc.Natl.Acad.Sci.USA, 118, 2021
4ZGH
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BU of 4zgh by Molmil
Structure of Sugar Binding Protein Pneumolysin
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GOLD (I) CYANIDE ION, ...
Authors:Parker, M.W, Feil, S.C, Morton, C.
Deposit date:2015-04-23
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of Streptococcus pneumoniae pneumolysin provides key insights into early steps of pore formation.
Sci Rep, 5, 2015
3N9J
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BU of 3n9j by Molmil
Structure of human Glutathione Transferase Pi class in complex with Ethacraplatin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Parker, L.J, Parker, M.W.
Deposit date:2010-05-30
Release date:2011-05-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Studies of glutathione transferase P1-1 bound to a platinum(IV)-based anticancer compound reveal the molecular basis of its activation.
To be Published
6O4P
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BU of 6o4p by Molmil
The crystal structure of the interleukin 11 alpha receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-11 receptor subunit alpha, ...
Authors:Aizel, K, Metcalfe, R.D, Griffin, M.D.W.
Deposit date:2019-02-28
Release date:2020-05-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.429 Å)
Cite:The structure of the extracellular domains of human interleukin 11 alpha receptor reveals mechanisms of cytokine engagement.
J.Biol.Chem., 295, 2020
6O4O
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BU of 6o4o by Molmil
The structure of human interleukin 11
Descriptor: CHLORIDE ION, Interleukin-11, SULFATE ION
Authors:Metcalfe, R.D, Griffin, M.D.W.
Deposit date:2019-02-28
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The structure of the extracellular domains of human interleukin 11 alpha receptor reveals mechanisms of cytokine engagement.
J.Biol.Chem., 295, 2020
8H53
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BU of 8h53 by Molmil
Human asparaginyl-tRNA synthetase in complex with asparagine-AMP
Descriptor: 4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE, Asparagine--tRNA ligase, cytoplasmic, ...
Authors:Park, J.S, Han, B.W.
Deposit date:2022-10-12
Release date:2023-10-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
4ZL7
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BU of 4zl7 by Molmil
Crystal structure of Pseudomonas aeruginosa DsbA E82I: Crystal I
Descriptor: HEXAETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA
Authors:McMahon, R.M, Martin, J.L.
Deposit date:2015-05-01
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:Sent packing: protein engineering generates a new crystal form of Pseudomonas aeruginosa DsbA1 with increased catalytic surface accessibility.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4ZL8
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BU of 4zl8 by Molmil
Crystal structure of Pseudomonas aeruginosa DsbA E82I: Crystal II
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Thiol:disulfide interchange protein DsbA
Authors:McMahoh, R.M, Martin, J.L.
Deposit date:2015-05-01
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.395 Å)
Cite:Sent packing: protein engineering generates a new crystal form of Pseudomonas aeruginosa DsbA1 with increased catalytic surface accessibility.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4ZL9
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BU of 4zl9 by Molmil
Crystal structure of Pseudomonas aeruginosa DsbA E82I: Crystal III
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, TETRAETHYLENE GLYCOL, ...
Authors:McMahon, R.M, Martin, J.L.
Deposit date:2015-05-01
Release date:2015-12-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Sent packing: protein engineering generates a new crystal form of Pseudomonas aeruginosa DsbA1 with increased catalytic surface accessibility.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
5UWC
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BU of 5uwc by Molmil
Cytokine-receptor complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ...
Authors:Broughton, S.E, Parker, M.W.
Deposit date:2017-02-21
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A dual role for the N-terminal domain of the IL-3 receptor in cell signalling.
Nat Commun, 9, 2018
5UV8
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BU of 5uv8 by Molmil
Interleukin-3 Receptor Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Interleukin-3, ...
Authors:Broughton, S.E, Parker, M.W.
Deposit date:2017-02-19
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A dual role for the N-terminal domain of the IL-3 receptor in cell signalling.
Nat Commun, 9, 2018
8DPV
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BU of 8dpv by Molmil
The crystal structure of Interleukin-11, W147A mutant
Descriptor: CHLORIDE ION, Interleukin-11, SULFATE ION
Authors:Metcalfe, R.D, Griffin, M.D.W.
Deposit date:2022-07-17
Release date:2023-11-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structures of the interleukin 11 signalling complex reveal gp130 dynamics and the inhibitory mechanism of a cytokine variant.
Nat Commun, 14, 2023

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数据于2024-10-30公开中

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