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4E51
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BU of 4e51 by Molmil
Crystal structure of a histidyl-tRNA synthetase HisRS from Burkholderia thailandensis bound to histidine
Descriptor: HISTIDINE, Histidine--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-03-13
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Ligand co-crystallization of aminoacyl-tRNA synthetases from infectious disease organisms.
Sci Rep, 7, 2017
3N84
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BU of 3n84 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP
Descriptor: 23-membered peptide-like macrocyclic ligand, CHLORIDE ION, GLYCEROL, ...
Authors:Clements, J.H, Martin, S.F.
Deposit date:2010-05-27
Release date:2011-01-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions.
ACS MED.CHEM.LETT., 1, 2010
3PN1
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BU of 3pn1 by Molmil
Novel Bacterial NAD+-dependent DNA Ligase Inhibitors with Broad Spectrum Potency and Antibacterial Efficacy In Vivo
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-(butylsulfanyl)adenosine, DNA ligase
Authors:Mills, S, Eakin, A, Buurman, E, Newman, J, Gao, N, Huynh, H, Johnson, K, Lahiri, S, Shapiro, A, Walkup, G, Wei, Y, Stokes, S.
Deposit date:2010-11-18
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel Bacterial NAD+-Dependent DNA Ligase Inhibitors with Broad-Spectrum Activity and Antibacterial Efficacy In Vivo.
Antimicrob.Agents Chemother., 55, 2011
2DTI
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BU of 2dti by Molmil
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii OT3 in Complex with Biotinyl-5'-AMP, Pyrophosphate and Mn(2+)
Descriptor: 235aa long hypothetical biotin-[acetyl-CoA-carboxylase] ligase, BIOTINYL-5-AMP, MANGANESE (II) ION, ...
Authors:Bagautdinov, B, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-07-12
Release date:2007-01-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ligand Structures Of Biotin Protein Ligase From Pyrococcus Horikoshii OT3
To be Published
2DKG
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BU of 2dkg by Molmil
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii OT3 in Complex with Biotinyl-5'-AMP, Pyrophosphate and Mg(2+)
Descriptor: 235aa long hypothetical biotin-[acetyl-CoA-carboxylase] ligase, BIOTINYL-5-AMP, MAGNESIUM ION, ...
Authors:Bagautdinov, B, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-11
Release date:2006-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ligand Structures Of Biotin Protein Ligase From Pyrococcus Horikoshii Ot3
To be Published
4US8
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BU of 4us8 by Molmil
Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with benzaldehyde
Descriptor: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, BICARBONATE ION, ...
Authors:Correia, H.D, Romao, M.J, Santos-Silva, T.
Deposit date:2014-07-03
Release date:2014-10-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase from Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme-Product Interaction.
J.Biol.Inorg.Chem., 20, 2015
4X1E
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BU of 4x1e by Molmil
Crystal structure of unliganded E. coli transcriptional regulator RutR, W167A mutant
Descriptor: HTH-type transcriptional regulator RutR
Authors:Nguyen Le Minh, P, de Cima, S, Bervoets, I, Maes, D, Rubio, V, Charlier, D.
Deposit date:2014-11-24
Release date:2015-01-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ligand binding specificity of RutR, a member of the TetR family of transcription regulators in Escherichia coli.
Febs Open Bio, 5, 2015
7TPJ
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BU of 7tpj by Molmil
Single-Particle Cryo-EM Structure of the WaaL O-antigen ligase in its apo state
Descriptor: Fab Heavy (H) Chain, Fab Light (L) Chain, Putative cell surface polysaccharide polymerase/ligase
Authors:Ashraf, K.U, Nygaard, R, Vickery, O.N, Erramilli, S.K, Herrera, C.M, McConville, T.H, Petrou, V.I, Giacometti, S.I, Dufrisne, M.B, Nosol, K, Zinkle, A.P, Graham, C.L.B, Loukeris, M, Kloss, B, Skorupinska-Tudek, K, Swiezewska, E, Roper, D, Clarke, O.B, Uhlemann, A.C, Kossiakoff, A.A, Trent, M.S, Stansfeld, P.J, Mancia, F.
Deposit date:2022-01-25
Release date:2022-04-06
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Structural basis of lipopolysaccharide maturation by the O-antigen ligase.
Nature, 604, 2022
7U9K
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BU of 7u9k by Molmil
Staphylococcus aureus D-alanine-D-alanine ligase in complex with ATP, D-ala-D-ala, Mg2+ and K+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, D-alanine--D-alanine ligase, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2022-03-10
Release date:2023-03-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided design and synthesis of ATP-competitive N-acyl-substituted sulfamide d-alanine-d-alanine ligase inhibitors.
Bioorg.Med.Chem., 96, 2023
4V20
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BU of 4v20 by Molmil
The 3-D structure of the cellobiohydrolase, Cel7A, from Aspergillus fumigatus, disaccharide complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CELLOBIOHYDROLASE, ...
Authors:Moroz, O.V, Maranta, M, Shaghasi, T, Harris, P.V, Wilson, K.S, Davies, G.J.
Deposit date:2014-10-05
Release date:2015-01-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Three-Dimensional Structure of the Cellobiohydrolase Cel7A from Aspergillus Fumigatus at 1.5 A Resolution
Acta Crystallogr.,Sect.F, 71, 2015
8EWI
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BU of 8ewi by Molmil
Structure of the human UBR5 HECT-type E3 ubiquitin ligase in a tetrameric form
Descriptor: E3 ubiquitin-protein ligase UBR5, ZINC ION
Authors:Wang, F, He, Q, Lin, G, Li, H.
Deposit date:2022-10-23
Release date:2023-04-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the human UBR5 E3 ubiquitin ligase.
Structure, 31, 2023
2Q8O
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BU of 2q8o by Molmil
crystal structure of mouse GITR ligand dimer
Descriptor: GITR ligand
Authors:Zhaocai, Z, Yukiko, T.
Deposit date:2007-06-11
Release date:2007-12-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for ligand-mediated mouse GITR activation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
8DCD
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BU of 8dcd by Molmil
RNA ligase RtcB from Pyrococcus horikoshii in complex with Zn2+ and GTP
Descriptor: CHLORIDE ION, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Jacewicz, A, Dantuluri, S, Shuman, S.
Deposit date:2022-06-16
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structures of RNA ligase RtcB in complexes with divalent cations and GTP.
Rna, 28, 2022
8DC9
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BU of 8dc9 by Molmil
RNA ligase RtcB from Pyrococcus horikoshii in complex with Mn2+ and GTP
Descriptor: CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Jacewicz, A, Dantuluri, S, Shuman, S.
Deposit date:2022-06-16
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structures of RNA ligase RtcB in complexes with divalent cations and GTP.
Rna, 28, 2022
8DCG
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BU of 8dcg by Molmil
Structure of guanylylated RNA ligase RtcB from Pyrococcus horikoshii
Descriptor: CHLORIDE ION, GUANOSINE-5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Jacewicz, A, Dantuluri, S, Shuman, S.
Deposit date:2022-06-16
Release date:2022-10-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures of RNA ligase RtcB in complexes with divalent cations and GTP.
Rna, 28, 2022
8DCB
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BU of 8dcb by Molmil
RNA ligase RtcB from Pyrococcus horikoshii in complex with Ni2+ and GTP
Descriptor: CHLORIDE ION, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Jacewicz, A, Dantuluri, S, Shuman, S.
Deposit date:2022-06-16
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of RNA ligase RtcB in complexes with divalent cations and GTP.
Rna, 28, 2022
8DCF
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BU of 8dcf by Molmil
RNA ligase RtcB from Pyrococcus horikoshii in complex with Cu2+ and GTP
Descriptor: CHLORIDE ION, COPPER (II) ION, GLYCEROL, ...
Authors:Jacewicz, A, Dantuluri, S, Shuman, S.
Deposit date:2022-06-16
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structures of RNA ligase RtcB in complexes with divalent cations and GTP.
Rna, 28, 2022
8DCA
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BU of 8dca by Molmil
RNA ligase RtcB from Pyrococcus horikoshii in complex with Co2+ and GTP
Descriptor: COBALT (II) ION, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Jacewicz, A, Dantuluri, S, Shuman, S.
Deposit date:2022-06-16
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structures of RNA ligase RtcB in complexes with divalent cations and GTP.
Rna, 28, 2022
6SAL
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BU of 6sal by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM26
Descriptor: 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, Nuclear receptor ROR-gamma
Authors:de Vries, R.M.J.M, Meijer, F.A, Doveston, R.G, Brunsveld, L.
Deposit date:2019-07-17
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Ligand-Based Design of Allosteric Retinoic Acid Receptor-Related Orphan Receptor gamma t (ROR gamma t) Inverse Agonists.
J.Med.Chem., 63, 2020
6OXI
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BU of 6oxi by Molmil
Dimeric E.coli YoeB bound to Thermus thermophilus 70S post-cleavage (UAA)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Pavelich, I.J, Hoffer, E.D, Maehigashi, T, Dunham, C.M.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.495 Å)
Cite:Monomeric YoeB toxin retains RNase activity but adopts an obligate dimeric form for thermal stability.
Nucleic Acids Res., 47, 2019
6OTR
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BU of 6otr by Molmil
Dimeric E.coli YoeB bound to Thermus thermophilus 70S post-cleavage (AAU)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Pavelich, I.P, Hoffer, E.D, Maehigashi, T, Dunham, C.M.
Deposit date:2019-05-03
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Monomeric YoeB toxin retains RNase activity but adopts an obligate dimeric form for thermal stability.
Nucleic Acids Res., 47, 2019
6OXA
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BU of 6oxa by Molmil
Dimeric E.coli YoeB bound to Thermus thermophilus 70S pre-cleavage (AAU)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Pavelich, I.J, Hoffer, E.D, Maehigashi, T, Dunham, C.M.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Monomeric YoeB toxin retains RNase activity but adopts an obligate dimeric form for thermal stability.
Nucleic Acids Res., 47, 2019
8RHZ
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BU of 8rhz by Molmil
Structure of CUL9-RBX1 ubiquitin E3 ligase complex in unneddylated conformation - symmetry expanded unneddylated dimer
Descriptor: Cullin-9, E3 ubiquitin-protein ligase RBX1, ZINC ION
Authors:Hopf, L.V.M, Horn-Ghetko, D, Prabu, J.R, Schulman, B.A.
Deposit date:2023-12-17
Release date:2024-04-17
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Noncanonical assembly, neddylation and chimeric cullin-RING/RBR ubiquitylation by the 1.8 MDa CUL9 E3 ligase complex.
Nat.Struct.Mol.Biol., 31, 2024
2RCJ
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BU of 2rcj by Molmil
Solution structure of human Immunoglobulin M
Descriptor: IgA1 heavy chain, IgA1 light chain, J chain
Authors:Perkins, S.J, Nealis, A.S, Sutton, B.J, Feinstein, A.
Deposit date:2007-09-20
Release date:2008-01-22
Last modified:2024-02-21
Method:SOLUTION SCATTERING
Cite:Solution structure of human and mouse immunoglobulin M by synchrotron X-ray scattering and molecular graphics modelling. A possible mechanism for complement activation.
J.Mol.Biol., 221, 1991
1T5D
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BU of 1t5d by Molmil
4-Chlorobenzoyl-CoA Ligase/Synthetase bound to 4-chlorobenzoate
Descriptor: 4-CHLORO-BENZOIC ACID, 4-chlorobenzoyl CoA ligase, CALCIUM ION
Authors:Gulick, A.M, Lu, X, Dunaway-Mariano, D.
Deposit date:2004-05-04
Release date:2004-08-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Crystal Structure of 4-Chlorobenzoate:CoA Ligase/Synthetase in the Unliganded and Aryl Substrate-Bound States
Biochemistry, 43, 2004

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數據於2024-11-06公開中

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