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9I8V
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BU of 9i8v by Molmil
Cryo-EM structure of the Danio rerio tRNA ligase complex
Descriptor: ATP-dependent RNA helicase, Ashwin, Family with sequence similarity 98, ...
Authors:Chamera, S, Zajko, W, Czarnocki-Cieciura, M, Jaciuk, M, Koziej, L, Nowak, J, Wycisk, K, Sroka, M, Chramiec-Glabik, A, Smietanski, M, Golebiowski, F, Warminski, M, Jemielity, J, Glatt, S, Nowotny, M.
Deposit date:2025-02-06
Release date:2025-04-23
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Structural and biochemical characterization of the 3'-5' tRNA splicing ligases.
J.Biol.Chem., 301, 2025
4WVU
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BU of 4wvu by Molmil
CRYSTAL STRUCTURE OF XIAP-BIR2 DOMAIN COMPLEXED WITH LIGAND BOUND
Descriptor: 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ...
Authors:Pokross, M.E.
Deposit date:2014-11-07
Release date:2015-03-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
4WVT
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BU of 4wvt by Molmil
Crystal structure of XIAP-BIR2 domain complexed with ligand bound
Descriptor: 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Pokross, M.E.
Deposit date:2014-11-07
Release date:2015-03-04
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
6E06
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BU of 6e06 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in citrate precipitant)
Descriptor: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
Deposit date:2018-07-06
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
6E05
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BU of 6e05 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in sulfate precipitant)
Descriptor: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
Deposit date:2018-07-06
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
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
3N7Y
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BU of 3n7y by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a 20-Membered Macrocyclic Ligand Having the Sequence pYVNV
Descriptor: 20-membered peptide-like macrocyclic ligand, Growth factor receptor-bound protein 2
Authors:Whiddon, B.B, 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 (2.02 Å)
Cite:Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions.
ACS MED.CHEM.LETT., 1, 2010
4UYL
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BU of 4uyl by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with VNI
Descriptor: 14-ALPHA STEROL DEMETHYLASE, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
Deposit date:2014-09-01
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structure-Functional Characterization of Cytochrome P450 Sterol Alpha-Demethylase (Cyp51B) from Aspergillus Fumigatus and Molecular Basis for the Development of Antifungal Drugs
J.Biol.Chem., 290, 2015
7QBK
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BU of 7qbk by Molmil
Crystal structure of a second homolog of R2-like ligand-binding oxidase in Sulfolobus acidocaldarius (SaR2loxII)
Descriptor: FE (III) ION, MANGANESE (III) ION, R2-like ligand-binding oxidase (homolog II) from Sulfolobus acidocaldarius
Authors:Lebrette, H, Diamanti, R, Srinivas, V, Hogbom, M.
Deposit date:2021-11-19
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Comparative structural analysis provides new insights into the function of R2-like ligand-binding oxidase.
Febs Lett., 596, 2022
7QBP
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BU of 7qbp by Molmil
Crystal structure of R2-like ligand-binding oxidase from Saccharopolyspora Erythraea
Descriptor: FE (III) ION, MANGANESE (III) ION, PALMITIC ACID, ...
Authors:Srinivas, V, Diamanti, R, Lebrette, H, Hogbom, M.
Deposit date:2021-11-19
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Comparative structural analysis provides new insights into the function of R2-like ligand-binding oxidase.
Febs Lett., 596, 2022
7L34
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BU of 7l34 by Molmil
Human DNA Ligase 1 - R641L nicked DNA complex
Descriptor: ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Tumbale, P.P, Williams, R.S, Schellenberg, M.S.
Deposit date:2020-12-17
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:LIG1 syndrome mutations remodel a cooperative network of ligand binding interactions to compromise ligation efficiency.
Nucleic Acids Res., 49, 2021
4UOU
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BU of 4uou by Molmil
Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) - apo-form
Descriptor: DI(HYDROXYETHYL)ETHER, FUCOSE-SPECIFIC LECTIN FLEA
Authors:Houser, J, Komarek, J, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M.
Deposit date:2014-06-10
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent.
Acta Crystallogr.,Sect.D, 71, 2015
4USA
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BU of 4usa by Molmil
Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with trans-cinnamaldehyde
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:2024-11-20
Method:X-RAY DIFFRACTION (1.13 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
7L35
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BU of 7l35 by Molmil
Human DNA Ligase 1 - R771W nicked DNA complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Tumbale, P.P, Williams, R.S, Schellenberg, M.S.
Deposit date:2020-12-17
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:LIG1 syndrome mutations remodel a cooperative network of ligand binding interactions to compromise ligation efficiency.
Nucleic Acids Res., 49, 2021
4WD3
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BU of 4wd3 by Molmil
Crystal structure of an L-amino acid ligase RizA
Descriptor: L-amino acid ligase
Authors:Kagawa, W, Arai, T, Kino, K, Kurumizaka, H.
Deposit date:2014-09-06
Release date:2015-09-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of RizA, an L-amino-acid ligase from Bacillus subtilis.
Acta Crystallogr.,Sect.F, 71, 2015
4UUG
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BU of 4uug by Molmil
The (R)-selective amine transaminase from Aspergillus fumigatus with inhibitor bound
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, ...
Authors:Thomsen, M, Hinrichs, W.
Deposit date:2014-07-28
Release date:2014-11-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Biochemical Characterization of the Dual Substrate Recognition of the (R)-Selective Amine Transaminase from Aspergillus Fumigatus
FEBS J., 282, 2015
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
7OD1
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BU of 7od1 by Molmil
Crystal structure of RBR ubiquitin ligase ARIH2
Descriptor: E3 ubiquitin-protein ligase ARIH2, ZINC ION
Authors:Kostrhon, S.P, Prabu, J.R, Schulman, B.A.
Deposit date:2021-04-28
Release date:2021-09-15
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:CUL5-ARIH2 E3-E3 ubiquitin ligase structure reveals cullin-specific NEDD8 activation.
Nat.Chem.Biol., 17, 2021
7TZI
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BU of 7tzi by Molmil
Structure of a pseudomurein peptide ligase type E from Methanothermobacter thermautotrophicus
Descriptor: Mur ligase family protein
Authors:Carbone, V, Schofield, L.R, Sutherland-Smith, A.J, Ronimus, R.S, Subedi, B.P.
Deposit date:2022-02-15
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.911 Å)
Cite:Structural characterisation of methanogen pseudomurein cell wall peptide ligases homologous to bacterial MurE/F murein peptide ligases.
Microbiology (Reading, Engl.), 168, 2022
8UCH
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BU of 8uch by Molmil
Thermophilic RNA Ligase from Palaeococcus pacificus K92A + ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ...
Authors:Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W.
Deposit date:2023-09-26
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
8UCE
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BU of 8uce by Molmil
Thermophilic RNA Ligase from Palaeococcus pacificus + AMP
Descriptor: ADENOSINE MONOPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ...
Authors:Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W.
Deposit date:2023-09-26
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
8UCI
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BU of 8uci by Molmil
Thermophilic RNA Ligase from Palaeococcus pacificus K238G + AMP
Descriptor: ADENOSINE MONOPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ...
Authors:Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W.
Deposit date:2023-09-26
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
8UCG
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BU of 8ucg by Molmil
Thermophilic RNA Ligase from Palaeococcus pacificus K92A
Descriptor: ATP dependent DNA ligase, GLYCEROL, MAGNESIUM ION, ...
Authors:Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W.
Deposit date:2023-09-26
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
8UCF
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BU of 8ucf by Molmil
Thermophilic RNA Ligase from Palaeococcus pacificus K238G
Descriptor: ATP dependent DNA ligase, GLYCEROL, MAGNESIUM ION
Authors:Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W.
Deposit date:2023-09-26
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
4LH7
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BU of 4lh7 by Molmil
Crystal structure of a LigA inhibitor
Descriptor: 4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ...
Authors:Boriack-Sjodin, P.A, Prince, D.B.
Deposit date:2013-06-30
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification through structure-based methods of a bacterial NAD(+)-dependent DNA ligase inhibitor that avoids known resistance mutations.
Bioorg.Med.Chem.Lett., 24, 2014

238582

数据于2025-07-09公开中

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