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5ZOI
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BU of 5zoi by Molmil
Crystal Structure of alpha1,3-Fucosyltransferase
Descriptor: Alpha-(1,3)-fucosyltransferase FucT, [[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
Authors:Tan, Y, Yang, G.
Deposit date:2018-04-13
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Directed evolution of an alpha 1,3-fucosyltransferase using a single-cell ultrahigh-throughput screening method.
Sci Adv, 5, 2019
4FYQ
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BU of 4fyq by Molmil
Human aminopeptidase N (CD13)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ...
Authors:Wong, A.H, Rini, J.M.
Deposit date:2012-07-05
Release date:2012-09-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The X-ray Crystal Structure of Human Aminopeptidase N Reveals a Novel Dimer and the Basis for Peptide Processing.
J.Biol.Chem., 287, 2012
3SAQ
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BU of 3saq by Molmil
Structure of D13, the scaffolding protein of vaccinia virus
Descriptor: Rifampicin resistance protein
Authors:Coulibaly, F.
Deposit date:2011-06-03
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Membrane remodeling by the double-barrel scaffolding protein of poxvirus.
Plos Pathog., 7, 2011
5C78
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BU of 5c78 by Molmil
ATP-driven lipid-linked oligosaccharide flippase PglK in apo-inward state (1)
Descriptor: ATP-driven flippase PglK, PENTAETHYLENE GLYCOL
Authors:Perez, C, Locher, K.P.
Deposit date:2015-06-24
Release date:2015-08-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and mechanism of an active lipid-linked oligosaccharide flippase.
Nature, 524, 2015
5UQH
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BU of 5uqh by Molmil
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor p182
Descriptor: 1,2-ETHANEDIOL, INOSINIC ACID, ISOPROPYL ALCOHOL, ...
Authors:Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-08
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the presence of TBK6
To Be Published
4OEV
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BU of 4oev by Molmil
Crystal structure of NikZ from Campylobacter jejuni in complex with Ni(II) ion
Descriptor: GLYCEROL, NICKEL (II) ION, OXALATE ION, ...
Authors:Lebrette, H, Cavazza, C.
Deposit date:2014-01-13
Release date:2014-10-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Promiscuous nickel import in human pathogens: structure, thermodynamics, and evolution of extracytoplasmic nickel-binding proteins.
Structure, 22, 2014
6QFJ
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BU of 6qfj by Molmil
MamB CTD magnetosome protein [Desulfamplus magnetovallimortis BW-1]
Descriptor: Magnetosome membrane protein MamB, putative Co/Zn/Cd cation transporter. Cation diffusion facilitator family
Authors:Zeytuni, N.Z, Keren, N.K, Zarivach, R.Z.
Deposit date:2019-01-10
Release date:2019-02-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:From conservation to structure, studies of magnetosome associated cation diffusion facilitators (CDF) proteins in Proteobacteria.
Plos One, 15, 2020
3JBV
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BU of 3jbv by Molmil
Mechanisms of Ribosome Stalling by SecM at Multiple Elongation Steps
Descriptor: 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Zhang, J, Pan, X.J, Yan, K.G, Sun, S, Gao, N, Sui, S.F.
Deposit date:2015-10-16
Release date:2016-01-27
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Mechanisms of ribosome stalling by SecM at multiple elongation steps
Elife, 4, 2015
4OET
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BU of 4oet by Molmil
Crystal structure of NikZ from Campylobacter jejuni, unliganded form
Descriptor: GLYCEROL, Putative peptide ABC-transport system periplasmic peptide-binding protein
Authors:Lebrette, H, Cavazza, C.
Deposit date:2014-01-13
Release date:2014-10-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Promiscuous nickel import in human pathogens: structure, thermodynamics, and evolution of extracytoplasmic nickel-binding proteins.
Structure, 22, 2014
4OEU
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BU of 4oeu by Molmil
Crystal structure of NikZ from Campylobacter jejuni in complex with Ni(L-His)
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, HISTIDINE, ...
Authors:Lebrette, H, Cavazza, C.
Deposit date:2014-01-13
Release date:2014-10-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Promiscuous nickel import in human pathogens: structure, thermodynamics, and evolution of extracytoplasmic nickel-binding proteins.
Structure, 22, 2014
3N29
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BU of 3n29 by Molmil
Crystal structure of carboxynorspermidine decarboxylase complexed with Norspermidine from Campylobacter jejuni
Descriptor: Carboxynorspermidine decarboxylase, GLYCEROL, N-(3-aminopropyl)propane-1,3-diamine, ...
Authors:Deng, X, Lee, J, Michael, A.J, Tomchick, D.R, Goldsmith, E.J, Phillips, M.A.
Deposit date:2010-05-17
Release date:2010-06-09
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evolution of substrate specificity within a diverse family of beta/alpha-barrel-fold basic amino acid decarboxylases: X-ray structure determination of enzymes with specificity for L-arginine and carboxynorspermidine.
J.Biol.Chem., 285, 2010
7AXT
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BU of 7axt by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with isoquinoline-5-carboxylic acid and PKI (5-24)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, isoquinoline-5-carboxylic acid
Authors:Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2020-11-10
Release date:2021-11-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
5A1J
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BU of 5a1j by Molmil
Periplasmic Binding Protein CeuE in complex with ferric 4-LICAM
Descriptor: ENTEROCHELIN UPTAKE PERIPLASMIC BINDING PROTEIN, FE (III) ION, N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)
Authors:Raines, D.J, Moroz, O.V, Wilson, K.S, Duhme-Klair, A.K.
Deposit date:2015-04-30
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Interactions of a Periplasmic Binding Protein with a Tetradentate Siderophore Mimic.
Angew.Chem.Int.Ed.Engl., 52, 2013
6YNC
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BU of 6ync by Molmil
Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the methylated Fasudil-derived fragment N-methylisoquinoline-5-sulfonamide (soaked)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N}-methylisoquinoline-5-sulfonamide
Authors:Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2020-04-13
Release date:2020-10-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses.
Chemmedchem, 16, 2021
6YQI
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BU of 6yqi by Molmil
Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with long-chain Fasudil-derivative N-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide (soaked)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N}-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide
Authors:Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2020-04-17
Release date:2020-10-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses.
Chemmedchem, 16, 2021
6YOT
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BU of 6yot by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with N,N-dimethylisoquinoline-5-sulfonamide and PKI (5-24)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N},~{N}-dimethylisoquinoline-5-sulfonamide
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-04-15
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
8S1P
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BU of 8s1p by Molmil
YlmH bound to PtRNA-50S
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Paternoga, H, Dimitrova-Paternoga, L, Wilson, D.N.
Deposit date:2024-02-15
Release date:2024-06-12
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (1.96 Å)
Cite:A role for the S4-domain containing protein YlmH in ribosome-associated quality control in Bacillus subtilis.
Nucleic Acids Res., 52, 2024
2IPH
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BU of 2iph by Molmil
X-ray Structure at 1.75 A Resolution of a Norovirus Protease Linked to an Active Site Directed Peptide Inhibitor
Descriptor: N-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-L-GLUTAMINYL-N-[(1S)-4-AMINO-1-(2-CARBOXYETHYL)-4-OXOBUTYL]-L-LEUCINAMIDE, Thiol protease P3C
Authors:Hussey, R.J.
Deposit date:2006-10-12
Release date:2007-10-23
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Structural Study of Norovirus 3C Protease Specificity: Binding of a Designed Active Site-Directed Peptide Inhibitor.
Biochemistry, 50, 2011
7P3K
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BU of 7p3k by Molmil
Cryo-EM structure of 70S ribosome stalled with TnaC peptide (control)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Buschauer, R, Komar, T, Becker, T, Berninghausen, O, Cheng, J, Beckmann, R.
Deposit date:2021-07-08
Release date:2021-10-27
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of l-tryptophan-dependent inhibition of release factor 2 by the TnaC arrest peptide.
Nucleic Acids Res., 49, 2021
7RDU
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BU of 7rdu by Molmil
Crystal structure of Campylobacter jejuni keto said reductoisomerase in complex with magnesium and oxidixized and reduced NADPH
Descriptor: Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Guddat, L.W, You, L.
Deposit date:2021-07-11
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Multi-faceted approach for the engineering of enzyme variants with improved properties for industrial applications
To Be Published
3CEI
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BU of 3cei by Molmil
Crystal Structure of Superoxide Dismutase from Helicobacter pylori
Descriptor: FE (III) ION, SULFATE ION, Superoxide dismutase
Authors:Esposito, L, Seydel, A, Aiello, R, Sorrentino, G, Cendron, L, Zanotti, G, Zagari, A.
Deposit date:2008-02-29
Release date:2008-06-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of the superoxide dismutase from Helicobacter pylori reveals a structured C-terminal extension
Biochim.Biophys.Acta, 1784, 2008
3AAG
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BU of 3aag by Molmil
Crystal structure of C. jejuni pglb C-terminal domain
Descriptor: CALCIUM ION, General glycosylation pathway protein
Authors:Maita, N, Kohda, D.
Deposit date:2009-11-16
Release date:2009-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Comparative structural biology of Eubacterial and Archaeal oligosaccharyltransferases.
J.Biol.Chem., 285, 2010
6OO8
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BU of 6oo8 by Molmil
Dehaloperoxidase B in complex with substrate pentachlorophenol
Descriptor: 1,2-ETHANEDIOL, Dehaloperoxidase B, PENTACHLOROPHENOL, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-04-22
Release date:2020-04-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
5W17
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BU of 5w17 by Molmil
Crystal structure of Campylobacter jejuni YCEI protein that crystallizes with large solvent channels for nanotechnology applications
Descriptor: EICOSANE, Putative periplasmic protein, SULFATE ION
Authors:Huber, T.R, Snow, C.D.
Deposit date:2017-06-01
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Installing Guest Molecules at Specific Sites within Scaffold Protein Crystals.
Bioconjug. Chem., 29, 2018
7TI1
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BU of 7ti1 by Molmil
Structure of AmpC bound to RPX-7063 at 2.0A
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
Authors:Clifton, M.C, Abendroth, J, Edwards, T.E, Hecker, S.J.
Deposit date:2022-01-12
Release date:2023-01-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability.
Bioorg.Med.Chem., 62, 2022

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