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8RAJ
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BU of 8raj by Molmil
NMR structure of PKS docking domains
Descriptor: Beta-ketoacyl synthase, Trimethylamine monooxygenase
Authors:Scat, S, Weissman, K.J, Chagot, B.
Deposit date:2023-12-01
Release date:2024-06-05
Method:SOLUTION NMR
Cite:Insights into docking in megasynthases from investigation of the toblerol trans-AT polyketide synthase: many alpha-helical means to an end
Rsc Chem Biol, 2024
2QFB
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BU of 2qfb by Molmil
Crystal structure of the regulatory domain of human RIG-I with bound Zn
Descriptor: Probable ATP-dependent RNA helicase DDX58, ZINC ION
Authors:Cui, S, Lammens, A, Lammens, K, Hopfner, K.P.
Deposit date:2007-06-27
Release date:2008-02-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:The C-Terminal Regulatory Domain Is the RNA 5'-Triphosphate Sensor of RIG-I.
Mol.Cell, 29, 2008
2QFD
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BU of 2qfd by Molmil
Crystal structure of the regulatory domain of human RIG-I with bound Hg
Descriptor: MERCURY (II) ION, Probable ATP-dependent RNA helicase DDX58
Authors:Cui, S, Lammens, A, Lammens, K, Hopfner, K.P.
Deposit date:2007-06-27
Release date:2008-02-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The C-Terminal Regulatory Domain Is the RNA 5'-Triphosphate Sensor of RIG-I.
Mol.Cell, 29, 2008
6EI1
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BU of 6ei1 by Molmil
Crystal structure of the covalent complex between deubiquitinase ZUFSP (ZUP1) and Ubiquitin-PA
Descriptor: GLYCEROL, MALONATE ION, Polyubiquitin-B, ...
Authors:Pichlo, C, Baumann, U, Hofmann, K, Hermanns, T.
Deposit date:2017-09-16
Release date:2018-03-07
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.732 Å)
Cite:A family of unconventional deubiquitinases with modular chain specificity determinants.
Nat Commun, 9, 2018
7Z8E
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BU of 7z8e by Molmil
Crystal structure of the substrate-binding protein YejA from S. meliloti in complex with peptide fragment
Descriptor: 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, GLY-SER-ASP-VAL-ALA, ...
Authors:Morera, S, Vigouroux, V, Travin, D.Y.
Deposit date:2022-03-17
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Dual-Uptake Mode of the Antibiotic Phazolicin Prevents Resistance Acquisition by Gram-Negative Bacteria.
Mbio, 14, 2023
3BDJ
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BU of 3bdj by Molmil
Crystal Structure of Bovine Milk Xanthine Dehydrogenase with a Covalently Bound Oxipurinol Inhibitor
Descriptor: CALCIUM ION, CARBONATE ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Eger, B.T, Okamoto, K, Nishino, T, Pai, E.F, Nishino, T.
Deposit date:2007-11-14
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of inhibition of xanthine oxidoreductase by allopurinol: crystal structure of reduced bovine milk xanthine oxidoreductase bound with oxipurinol.
Nucleosides Nucleotides Nucleic Acids, 27, 2008
4EUK
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BU of 4euk by Molmil
Crystal structure
Descriptor: 1,2-ETHANEDIOL, Histidine kinase 5, Histidine-containing phosphotransfer protein 1, ...
Authors:Stehle, T, Bauer, J.
Deposit date:2012-04-25
Release date:2013-02-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Function Analysis of Arabidopsis thaliana Histidine Kinase AHK5 Bound to Its Cognate Phosphotransfer Protein AHP1.
Mol Plant, 6, 2013
6NV8
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BU of 6nv8 by Molmil
Perdeuterated tyrosine phenol-lyase from Citrobacter freundii complexed with an aminoacrylate intermediate formed from S-ethyl-L-cysteine and 4-hydroxypyridine
Descriptor: 2-AMINO-ACRYLIC ACID, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
Authors:Phillips, R.S.
Deposit date:2019-02-04
Release date:2020-02-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Pressure and Temperature Effects on the Formation of Aminoacrylate Intermediates of Tyrosine Phenol-lyase Demonstrate Reaction Dynamics
Acs Catalysis, 10, 2020
6OYG
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BU of 6oyg by Molmil
Crystal structure of H62F mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6OY8
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BU of 6oy8 by Molmil
Crystal structure of Y99G mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6OYB
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BU of 6oyb by Molmil
Crystal structure of H62G mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6OYE
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BU of 6oye by Molmil
Crystal structure of Y99F mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
7PEB
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BU of 7peb by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 1, focussed on one protomer
Descriptor: DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, Regulatory-associated protein of mTOR, ...
Authors:Waelchli, M, Maier, T.
Deposit date:2021-08-09
Release date:2021-09-08
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
7PEC
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BU of 7pec by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 1, DEPt-bound subset local refinement
Descriptor: DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, Regulatory-associated protein of mTOR, ...
Authors:Waelchli, M, Maier, T.
Deposit date:2021-08-09
Release date:2021-09-08
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (4.24 Å)
Cite:Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
7PED
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BU of 7ped by Molmil
DEPTOR DEP domain tandem (DEPt)
Descriptor: DEP domain-containing mTOR-interacting protein
Authors:Waelchli, M, Jakob, R, Maier, T.
Deposit date:2021-08-09
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
7PE7
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BU of 7pe7 by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 2, overall refinement
Descriptor: ACETYL GROUP, DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Waelchli, M, Maier, T.
Deposit date:2021-08-09
Release date:2021-09-15
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
7PE9
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BU of 7pe9 by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 2, DEPt-bound subset local refinement
Descriptor: ACETYL GROUP, DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Waelchli, M, Maier, T.
Deposit date:2021-08-09
Release date:2021-09-08
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
7PE8
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BU of 7pe8 by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 2, focussed on one protomer
Descriptor: ACETYL GROUP, DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Waelchli, M, Maier, T.
Deposit date:2021-08-09
Release date:2021-09-08
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
7PEA
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BU of 7pea by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 1, overall refinement
Descriptor: DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, Regulatory-associated protein of mTOR, ...
Authors:Waelchli, M, Maier, T.
Deposit date:2021-08-09
Release date:2021-09-08
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
3C13
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BU of 3c13 by Molmil
Low pH-value crystal structure of emodin in complex with the catalytic subunit of protein kinase CK2
Descriptor: 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, CHLORIDE ION, Casein kinase II subunit alpha
Authors:Niefind, K, Raaf, J, Issinger, O.-G.
Deposit date:2008-01-22
Release date:2008-02-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Catalytic Subunit of Human Protein Kinase CK2 Structurally Deviates from Its Maize Homologue in Complex with the Nucleotide Competitive Inhibitor Emodin
J.Mol.Biol., 377, 2008
3BQC
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BU of 3bqc by Molmil
High pH-value crystal structure of emodin in complex with the catalytic subunit of protein kinase CK2
Descriptor: 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, CHLORIDE ION, Casein kinase II subunit alpha
Authors:Niefind, K, Raaf, J, Issinger, O.-G.
Deposit date:2007-12-20
Release date:2008-01-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Catalytic Subunit of Human Protein Kinase CK2 Structurally Deviates from Its Maize Homologue in Complex with the Nucleotide Competitive Inhibitor Emodin
J.Mol.Biol., 377, 2008
3FL5
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BU of 3fl5 by Molmil
Protein kinase CK2 in complex with the inhibitor Quinalizarin
Descriptor: 1,2,5,8-tetrahydroxyanthracene-9,10-dione, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER
Authors:Mazzorana, M, Franchin, C, Battistutta, R.
Deposit date:2008-12-18
Release date:2009-08-18
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Quinalizarin as a potent, selective and cell-permeable inhibitor of protein kinase CK2
Biochem.J., 421, 2009
3UG9
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BU of 3ug9 by Molmil
Crystal Structure of the Closed State of Channelrhodopsin
Descriptor: Archaeal-type opsin 1, Archaeal-type opsin 2, OLEIC ACID, ...
Authors:Kato, H.E, Ishitani, R, Nureki, O.
Deposit date:2011-11-02
Release date:2012-01-25
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the channelrhodopsin light-gated cation channel
Nature, 482, 2012
7SI9
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BU of 7si9 by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with PF-07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2021-10-12
Release date:2021-10-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
5UMJ
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BU of 5umj by Molmil
Crystal structure of H62A mutant of human macrophage migration inhibitory factor
Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION
Authors:Pantouris, G, Lolis, E.
Deposit date:2017-01-27
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020

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