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5ETC
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BU of 5etc by Molmil
Structure of inactive MAPK14 with ordered Activation Loop
Descriptor: Mitogen-activated protein kinase 14, SULFATE ION
Authors:Kapp, U, Pellegrini, E, Bowler, M.W.
Deposit date:2015-11-17
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.422 Å)
Cite:Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation.
Science, 381, 2023
5OKL
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BU of 5okl by Molmil
Human afamin monoclinic crystal form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Afamin, ...
Authors:Rupp, B, Naschberger, A, Bowler, M.W.
Deposit date:2017-07-25
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural Evidence for a Role of the Multi-functional Human Glycoprotein Afamin in Wnt Transport.
Structure, 25, 2017
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
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
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
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
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
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
2W6H
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BU of 2w6h by Molmil
Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 4A.
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 (5 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
2W6G
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BU of 2w6g by Molmil
Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 3.
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.,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
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
8RF2
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BU of 8rf2 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 1E7 refined against the anomalous diffraction data
Descriptor: 1-benzothiophen-5-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 (1.44 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
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
8RF6
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BU of 8rf6 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7_AL5 refined against the anomalous diffraction data
Descriptor: 6-iodanyl-2,3-dihydro-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 (1.08 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
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
8RFF
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BU of 8rff by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 6A6 refined against the anomalous diffraction data
Descriptor: 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 (1.31 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
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

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