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8PHF
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BU of 8phf by Molmil
Cryo-EM structure of human ACAD9-S191A
Descriptor: Complex I assembly factor ACAD9, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE
Authors:McGregor, L, Acajjaoui, S, Desfosses, A, Saidi, M, Bacia-Verloop, M, Schwarz, J.J, Juyoux, P, Von Velsen, J, Bowler, M.W, McCarthy, A, Kandiah, E, Gutsche, I, Soler-Lopez, M.
Deposit date:2023-06-19
Release date:2024-01-24
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The assembly of the Mitochondrial Complex I Assembly complex uncovers a redox pathway coordination.
Nat Commun, 14, 2023
7NG2
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BU of 7ng2 by Molmil
Crystal structure of Toxoplasma CPSF4-YTH domain in apo form
Descriptor: ISOPROPYL ALCOHOL, Zinc finger (CCCH type) motif-containing protein
Authors:Swale, C, Bowler, M.W.
Deposit date:2021-02-08
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma .
Elife, 10, 2021
7NJC
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BU of 7njc by Molmil
Crystal structure of the Toxoplasma CPSF4 YTH-domain in complex with a 7 mer m6A-modified RNA
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, N-methyladenosine, RNA (5'-R(*(6MZ)P*CP*A)-3'), ...
Authors:Swale, C, Bowler, M.W.
Deposit date:2021-02-16
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma .
Elife, 10, 2021
7NH2
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BU of 7nh2 by Molmil
Crystal structure of Toxoplasma CPSF4-YTH domain bound to m6A
Descriptor: TETRAETHYLENE GLYCOL, Zinc finger (CCCH type) motif-containing protein, ~{N},9-dimethylpurin-6-amine
Authors:Swale, C, Bowler, M.W.
Deposit date:2021-02-09
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma .
Elife, 10, 2021
3ZI4
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BU of 3zi4 by Molmil
The structure of Beta-phosphoglucomutase Inhibited With Glucose-6-phosphate and Scandium Tetrafluoride
Descriptor: 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2013-01-03
Release date:2014-01-15
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Metal fluorides-multi-functional tools for the study of phosphoryl transfer enzymes, a practical guide.
Structure, 2024
4C4T
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BU of 4c4t by Molmil
Structure of beta-phosphoglucomutase in complex with a phosphonate analogue of beta-glucose-1-phosphate and aluminium tetrafluoride
Descriptor: (1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2013-09-09
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Alpha-Fluorophosphonates Reveal How a Phosphomutase Conserves Transition State Conformation Over Hexose Recognition in its Two-Step Reaction.
Proc.Natl.Acad.Sci.USA, 111, 2014
4C4R
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BU of 4c4r by Molmil
Structure of beta-phosphoglucomutase in complex with a phosphonate analogue of beta-glucose-1-phosphate and magnesium trifluoride
Descriptor: (1R)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2013-09-09
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Alpha-Fluorophosphonates Reveal How a Phosphomutase Conserves Transition State Conformation Over Hexose Recognition in its Two-Step Reaction.
Proc.Natl.Acad.Sci.USA, 111, 2014
4C4S
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BU of 4c4s by Molmil
Structure of beta-phosphoglucomutase in complex with an alpha- fluorophosphonate analogue of beta-glucose-1-phosphate and magnesium trifluoride
Descriptor: (1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2013-09-09
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Alpha-Fluorophosphonates Reveal How a Phosphomutase Conserves Transition State Conformation Over Hexose Recognition in its Two-Step Reaction.
Proc.Natl.Acad.Sci.USA, 111, 2014
2W6J
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BU of 2w6j by Molmil
Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 5.
Descriptor: ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ...
Authors:Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F.
Deposit date:2008-12-18
Release date:2009-10-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.84 Å)
Cite:Improving diffraction by humidity control: a novel device compatible with X-ray beamlines.
Acta Crystallogr. D Biol. Crystallogr., 65, 2009
2W6F
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BU of 2w6f by Molmil
Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 2.
Descriptor: ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ...
Authors:Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F.
Deposit date:2008-12-18
Release date:2009-10-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (6 Å)
Cite:Improving diffraction by humidity control: a novel device compatible with X-ray beamlines.
Acta Crystallogr. D Biol. Crystallogr., 65, 2009
2W6I
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BU of 2w6i by Molmil
Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 4B.
Descriptor: ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ...
Authors:Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F.
Deposit date:2008-12-18
Release date:2009-10-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (4 Å)
Cite:Improving diffraction by humidity control: a novel device compatible with X-ray beamlines.
Acta Crystallogr. D Biol. Crystallogr., 65, 2009
2W6E
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BU of 2w6e by Molmil
Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration:hydration state 1.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ...
Authors:Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F.
Deposit date:2008-12-18
Release date:2009-10-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (6.5 Å)
Cite:Improving Diffraction by Humidity Control: A Novel Device Compatible with X-Ray Beamlines.
Acta Crystallogr.,Sect.D, 65, 2009
2XE6
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BU of 2xe6 by Molmil
The complete reaction cycle of human phosphoglycerate kinase: The open binary complex with 3PG
Descriptor: 3-PHOSPHOGLYCERIC ACID, PHOSPHOGLYCERATE KINASE 1
Authors:Cliff, M.J, Baxter, N.J, Blackburn, G.M, Merli, A, Vas, M, Waltho, J.P, Bowler, M.W.
Deposit date:2010-05-11
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A Spring Loaded Release Mechanism Regulates Domain Movement and Catalysis in Phosphoglycerate Kinase.
J.Biol.Chem., 286, 2011
2XE8
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BU of 2xe8 by Molmil
The complete reaction cycle of human phosphoglycerate kinase: The open ternary complex with 3PG and AMP-PNP
Descriptor: 3-PHOSPHOGLYCERIC ACID, PHOSPHOGLYCERATE KINASE 1, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Cliff, M.J, Baxter, N.J, Blackburn, G.M, Merli, A, Vas, M, Waltho, J.P, Bowler, M.W.
Deposit date:2010-05-11
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Spring Loaded Release Mechanism Regulates Domain Movement and Catalysis in Phosphoglycerate Kinase.
J.Biol.Chem., 286, 2011
2XE7
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BU of 2xe7 by Molmil
The complete reaction cycle of human phosphoglycerate kinase: The open ternary complex with 3PG and ADP
Descriptor: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, PHOSPHOGLYCERATE KINASE 1
Authors:Cliff, M.J, Baxter, N.J, Blackburn, G.M, Merli, A, Vas, M, Waltho, J.P, Bowler, M.W.
Deposit date:2010-05-11
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Spring Loaded Release Mechanism Regulates Domain Movement and Catalysis in Phosphoglycerate Kinase.
J.Biol.Chem., 286, 2011
7Q4A
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BU of 7q4a by Molmil
Toxoplasma gondii PRP4K kinase domain (L715F) bound to altiratinib
Descriptor: Altiratinib, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Swale, C, Bellini, V, Bowler, M.
Deposit date:2021-10-29
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Altiratinib blocks Toxoplasma gondii and Plasmodium falciparum development by selectively targeting a spliceosome kinase.
Sci Transl Med, 14, 2022
9EU5
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BU of 9eu5 by Molmil
SSX structure of Autotaxin at room temperature
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ...
Authors:Eymery, M.C, McCarthy, A.A, Foos, N, Basu, S.
Deposit date:2024-03-27
Release date:2024-07-31
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:In situ serial crystallography facilitates 96-well plate structural analysis at low symmetry.
Iucrj, 11, 2024
9ENT
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BU of 9ent by Molmil
SSX structure of Autotaxin in cryogenic conditions
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ...
Authors:Eymery, M.C, McCarthy, A.A, Foos, N, Basu, S.
Deposit date:2024-03-13
Release date:2024-07-31
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:In situ serial crystallography facilitates 96-well plate structural analysis at low symmetry.
Iucrj, 11, 2024
6H8Q
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BU of 6h8q by Molmil
Structural basis for Scc3-dependent cohesin recruitment to chromatin
Descriptor: Cohesin subunit SCC3, DNA (5'-D(P*CP*TP*TP*TP*CP*GP*TP*TP*TP*CP*CP*TP*TP*GP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*CP*AP*AP*GP*GP*AP*AP*AP*CP*GP*AP*AP*AP*G)-3'), ...
Authors:Li, Y, Muir, K, Panne, D.
Deposit date:2018-08-03
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.631 Å)
Cite:Structural basis for Scc3-dependent cohesin recruitment to chromatin.
Elife, 7, 2018
8RF8
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BU of 8rf8 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7_AL6 refined against the anomalous diffraction data
Descriptor: 6-bromanyl-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
8RF3
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BU of 8rf3 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7G3 refined against the anomalous diffraction data
Descriptor: 2-(1-benzothiophen-3-yl)ethanoic acid, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
8RFD
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BU of 8rfd by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2_AL2 refined against the anomalous diffraction data
Descriptor: (1~{R})-1-(4-iodophenyl)ethanamine, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
8RF4
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BU of 8rf4 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 9D4 refined against the anomalous diffraction data
Descriptor: 4-chloranyl-1~{H}-indazol-3-amine, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
8RFC
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BU of 8rfc by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2_AL1 refined against the anomalous diffraction data
Descriptor: (1~{R})-1-(4-bromophenyl)ethanamine, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
8RF5
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BU of 8rf5 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7 refined against the anomalous diffraction data
Descriptor: 6-fluoro-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024

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