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6SHJ
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BU of 6shj by Molmil
Escherichia coli AGPase in complex with FBP. Symmetry applied C2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase
Authors:Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E.
Deposit date:2019-08-07
Release date:2020-02-05
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM.
Curr Res Struct Biol, 2, 2020
5MU6
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BU of 5mu6 by Molmil
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and IMP-1088 inhibitor bound
Descriptor: 1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ...
Authors:Perez-Dorado, I, Bell, A.S, Tate, E.W.
Deposit date:2017-01-12
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
5MUQ
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BU of 5muq by Molmil
Crystal structure of DC8E8 Fab at pH 7.0 containing a Zn atom
Descriptor: IMIDAZOLE, ZINC ION, antibody Fab heavy chain, ...
Authors:Skrabana, R, Novak, M, Cehlar, O, Kontsekova, E.
Deposit date:2017-01-13
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Crystal structure of DC8E8 Fab at pH 7.0 containing a Zn atom
To be published
6SFH
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BU of 6sfh by Molmil
CRYSTAL STRUCTURE OF DHQ1 FROM Staphylococcus aureus COVALENTLY MODIFIED BY LIGAND 7
Descriptor: (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase, LITHIUM ION, ...
Authors:Sanz-Gaitero, M, Lence, E, Maneiro, M, Thompson, R, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2019-08-01
Release date:2020-04-15
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Self-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product.
Chemistry, 26, 2020
7KGC
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BU of 7kgc by Molmil
Crystal structure of a perchloric acid-soluble protein (PSP) from Trichomonas vaginalis at 1.95 A
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative translation initiation inhibitor
Authors:Diaz-Vilchis, A, Rudino-Pinera, E, Alvarez-Sanchez, M.E, Arreola, R.
Deposit date:2020-10-16
Release date:2021-10-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Putative New Role of Tv-PSP1 Recognizes IRE and ERE Hairpin Structures from Trichomonas vaginalis.
Pathogens, 12, 2023
3NW8
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BU of 3nw8 by Molmil
Glycoprotein B from Herpes simplex virus type 1, Y179S mutant, high-pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E.
Deposit date:2010-07-09
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75915 Å)
Cite:Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1.
J.Virol., 84, 2010
6AWN
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BU of 6awn by Molmil
X-ray structure of the S439T human serotonin transporter complexed with paroxetine at the central site
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody FAB heavy chain, 8B6 antibody FAB light chain, ...
Authors:Coleman, J.A, Gouaux, E.
Deposit date:2017-09-06
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Structural basis for recognition of diverse antidepressants by the human serotonin transporter.
Nat. Struct. Mol. Biol., 25, 2018
5CN3
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BU of 5cn3 by Molmil
X-ray structure of wild-type TTR at 1.30A resolution
Descriptor: Transthyretin
Authors:Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
Deposit date:2015-07-17
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Impact of Deuteration on the Assembly Kinetics of Transthyretin Monitored by Native Mass Spectrometry and Implications for Amyloidoses.
Angew.Chem.Int.Ed.Engl., 55, 2016
1TYG
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BU of 1tyg by Molmil
Structure of the thiazole synthase/ThiS complex
Descriptor: PHOSPHATE ION, Thiazole biosynthesis protein thiG, yjbS
Authors:Settembre, E.C, Dorrestein, P.C, Zhai, H, Chatterjee, A, McLafferty, F.W, Begley, T.P, Ealick, S.E.
Deposit date:2004-07-07
Release date:2004-09-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Thiamin Biosynthesis in Bacillus subtilis: Structure of the Thiazole Synthase/Sulfur Carrier Protein Complex
Biochemistry, 43, 2004
6F5D
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BU of 6f5d by Molmil
Trypanosoma brucei F1-ATPase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP synthase gamma subunit, ATP synthase subunit alpha, ...
Authors:Montgomery, M.G, Gahura, O, Leslie, A.G.W, Zikova, A, Walker, J.E.
Deposit date:2017-12-01
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:ATP synthase fromTrypanosoma bruceihas an elaborated canonical F1-domain and conventional catalytic sites.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7OH1
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BU of 7oh1 by Molmil
Tetanus neurotoxin LC-HN domain in complex with TT110-Fab1
Descriptor: FAB TT110, Tetanus toxin
Authors:Grinzato, A, Kandiah, E, Zanotti, G.
Deposit date:2021-05-07
Release date:2021-10-27
Last modified:2021-11-24
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Exceptionally potent human monoclonal antibodies are effective for prophylaxis and treatment of tetanus in mice.
J.Clin.Invest., 131, 2021
1U11
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BU of 1u11 by Molmil
PurE (N5-carboxyaminoimidazole Ribonucleotide Mutase) from the acidophile Acetobacter aceti
Descriptor: CITRIC ACID, PurE (N5-carboxyaminoimidazole Ribonucleotide Mutase)
Authors:Settembre, E.C, Chittuluru, J.R, Mill, C.P, Kappock, T.J, Ealick, S.E.
Deposit date:2004-07-14
Release date:2004-09-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Acidophilic adaptations in the structure of Acetobacter aceti N5-carboxyaminoimidazole ribonucleotide mutase (PurE).
Acta Crystallogr.,Sect.D, 60, 2004
2YBU
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BU of 2ybu by Molmil
Crystal structure of human acidic chitinase in complex with bisdionin F
Descriptor: 3,7-DIMETHYL-1-[3-(3-METHYL-2,6-DIOXO-9H-PURIN-1-YL)PROPYL]PURINE-2,6-DIONE, ACIDIC MAMMALIAN CHITINASE, GLYCEROL
Authors:Sutherland, T.E, Andersen, O.A, Betou, M, Eggleston, I.M, Maizels, R.M, van Aalten, D, Allen, J.E.
Deposit date:2011-03-10
Release date:2011-06-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Analyzing airway inflammation with chemical biology: dissection of acidic mammalian chitinase function with a selective drug-like inhibitor.
Chem. Biol., 18, 2011
8FEK
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BU of 8fek by Molmil
Crystal structure of PBP cyclase Ulm16
Descriptor: PBP cyclase Ulm16
Authors:Patel, R, Budimir, Z, Parkinson, E, Das, C.
Deposit date:2022-12-06
Release date:2023-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.058 Å)
Cite:Biocatalytic cyclization of small macrolactams by a penicillin-binding protein-type thioesterase.
Nat.Chem.Biol., 20, 2024
8RE3
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BU of 8re3 by Molmil
Crystal Structure determination of Dye-decolorizing Peroxidase (DyP) mutant M190G from Deinoccoccus radiodurans
Descriptor: CALCIUM ION, CHLORIDE ION, HYDROXIDE ION, ...
Authors:Salgueiro, B.A, Frade, K, Frazao, C, Matias, P, Moe, E.
Deposit date:2023-12-10
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Biochemical, Biophysical, and Structural Analysis of an Unusual DyP from the Extremophile Deinococcus radiodurans.
Molecules, 29, 2024
1G43
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BU of 1g43 by Molmil
CRYSTAL STRUCTURE OF A FAMILY IIIA CBD FROM CLOSTRIDIUM CELLULOLYTICUM
Descriptor: CALCIUM ION, SCAFFOLDING PROTEIN, ZINC ION
Authors:Shimon, L.J.W, Pages, S, Belaich, A, Belaich, J.-P, Bayer, E.A, Lamed, R, Shoham, Y, Frolow, F.
Deposit date:2000-10-26
Release date:2000-12-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a family IIIa scaffoldin CBD from the cellulosome of Clostridium cellulolyticum at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
5MZW
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BU of 5mzw by Molmil
Crystal structure of the decarboxylase AibA/AibB
Descriptor: GLYCEROL, Glutaconate CoA-transferase family, subunit A, ...
Authors:Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
Deposit date:2017-02-02
Release date:2017-05-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
8RE2
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BU of 8re2 by Molmil
Crystal Structure determination of Dye-decolorizing Peroxidase (DyP) from Deinoccoccus radiodurans
Descriptor: GLYCEROL, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Salgueiro, B.A, Frade, K, Frazao, C, Moe, E.
Deposit date:2023-12-10
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biochemical, Biophysical, and Structural Analysis of an Unusual DyP from the Extremophile Deinococcus radiodurans.
Molecules, 29, 2024
6B7L
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BU of 6b7l by Molmil
Aeromonas veronii immune modulator A
Descriptor: CHLORIDE ION, FORMIC ACID, immune modulator A
Authors:Sweeney, E.S, Remington, S.J, Perkins, A.
Deposit date:2017-10-04
Release date:2018-10-03
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A bacterial immunomodulatory protein with lipocalin-like domains facilitates host-bacteria mutualism in larval zebrafish.
Elife, 7, 2018
1I17
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BU of 1i17 by Molmil
NMR STRUCTURE OF MOUSE DOPPEL 51-157
Descriptor: PRION-LIKE PROTEIN
Authors:Mo, H, Moore, R.C, Cohen, F.E, Westaway, D, Prusiner, S.B, Wright, P.E, Dyson, H.J.
Deposit date:2001-01-31
Release date:2001-03-07
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Two different neurodegenerative diseases caused by proteins with similar structures.
Proc.Natl.Acad.Sci.USA, 98, 2001
5N49
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BU of 5n49 by Molmil
BRPF2 in complex with Compound 7
Descriptor: 2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Bromodomain-containing protein 1
Authors:Bouche, L, Christ, C.D, Siegel, S, Fernandez-Montalvan, A.E, Holton, S.J, Fedorov, O, ter Laak, A, Sugawara, T, Stoeckigt, D, Tallant, C, Bennett, J, Monteiro, O, Saez, L.D, Siejka, P, Meier, J, Puetter, V, Weiske, J, Mueller, S, Huber, K.V.M, Hartung, I.V, Haendler, B.
Deposit date:2017-02-10
Release date:2017-05-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
6SCI
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BU of 6sci by Molmil
Structure of AdhE form 1
Descriptor: Aldehyde-alcohol dehydrogenase, FE (III) ION
Authors:Lovering, A.L, Bragginton, E.
Deposit date:2019-07-24
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:High-resolution structure of the alcohol dehydrogenase domain of the bifunctional bacterial enzyme AdhE.
Acta Crystallogr.,Sect.F, 76, 2020
6EZ3
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BU of 6ez3 by Molmil
Structure of CDPS from Staphylococcus haemolyticus
Descriptor: Cyclo(L-leucyl-L-leucyl) synthase, SULFATE ION
Authors:Schmitt, E, Mechulam, Y, Bourgeois, G.
Deposit date:2017-11-14
Release date:2018-11-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for partition of the cyclodipeptide synthases into two subfamilies.
J. Struct. Biol., 203, 2018
1C50
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BU of 1c50 by Molmil
IDENTIFICATION AND STRUCTURAL CHARACTERIZATION OF A NOVEL ALLOSTERIC BINDING SITE OF GLYCOGEN PHOSPHORYLASE B
Descriptor: 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE
Authors:Oikonomakos, N.G, Skamnaki, V.T, Tsitsanou, K.E, Gavalas, N.G, Johnson, L.N.
Deposit date:1999-12-15
Release date:1999-12-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A new allosteric site in glycogen phosphorylase b as a target for drug interactions.
Structure Fold.Des., 8, 2000
5CNH
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BU of 5cnh by Molmil
X-ray structure of perdeuterated wild-type TTR at 1.42A resolution
Descriptor: Transthyretin
Authors:Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
Deposit date:2015-07-17
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Impact of Deuteration on the Assembly Kinetics of Transthyretin Monitored by Native Mass Spectrometry and Implications for Amyloidoses.
Angew.Chem.Int.Ed.Engl., 55, 2016

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