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6NA6
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BU of 6na6 by Molmil
Serial Femtosecond X-ray Crystallography Structure of ECR in complex with NADPH
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative crotonyl-CoA reductase
Authors:DeMirci, H.
Deposit date:2018-12-05
Release date:2019-12-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Intersubunit Coupling Enables Fast CO2-Fixation by Reductive Carboxylases
Acs Cent.Sci., 2022
8QK9
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BU of 8qk9 by Molmil
Structure of E. coli LpxH in complex with JEDI-1444
Descriptor: 2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2023-09-14
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
6NA3
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BU of 6na3 by Molmil
Crystal Structure of Apo-form of ECR
Descriptor: CHLORIDE ION, Putative crotonyl-CoA reductase, Pyrrolidine
Authors:DeMirci, H.
Deposit date:2018-12-05
Release date:2019-12-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Intersubunit Coupling Enables Fast CO2-Fixation by Reductive Carboxylases
Acs Cent.Sci., 2022
8QK5
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BU of 8qk5 by Molmil
Structure of K. pneumoniae LpxH in complex with EBL-3647
Descriptor: 5-[[3-(aminomethyl)azetidin-1-yl]methyl]-N-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2023-09-14
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
8QK2
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BU of 8qk2 by Molmil
Structure of K.pneumoniae LpxH in complex with EBL-3339
Descriptor: MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase, ~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2023-09-14
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
8QKA
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BU of 8qka by Molmil
Structure of K. pneumoniae LpxH in complex with JEDI-852
Descriptor: 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2023-09-14
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
6YVH
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BU of 6yvh by Molmil
CWC22-CWC27-EIF4A3 Complex
Descriptor: Eukaryotic initiation factor 4A-III, Pre-mRNA-splicing factor CWC22 homolog, Spliceosome-associated protein CWC27 homolog
Authors:Basquin, J, Busetto, V, LeHir, H, Conti, E.
Deposit date:2020-04-28
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural and functional insights into CWC27/CWC22 heterodimer linking the exon junction complex to spliceosomes.
Nucleic Acids Res., 48, 2020
8OJJ
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BU of 8ojj by Molmil
Cryo-EM structure of the DnaD-NTD tetramer
Descriptor: DNA replication protein DnaD
Authors:Winterhalter, C, Pelliciari, S, Cronin, N, Costa, T.R.D, Murray, H, Ilangovan, A.
Deposit date:2023-03-24
Release date:2023-05-17
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (5.47 Å)
Cite:The DNA replication initiation protein DnaD recognises a specific strand of the Bacillus subtilis chromosome origin.
Nucleic Acids Res., 51, 2023
4U77
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BU of 4u77 by Molmil
BTB domain from Drosophila CP190
Descriptor: Centrosome-associated zinc finger protein CP190, DIMETHYL SULFOXIDE, GLYCEROL
Authors:Allemand, F, Cohen-Gonsaud, M, Labesse, G, Nollmann, M.
Deposit date:2014-07-30
Release date:2014-08-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Chromatin Insulator Factors Involved in Long-Range DNA Interactions and Their Role in the Folding of the Drosophila Genome.
Plos Genet., 10, 2014
8G3I
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BU of 8g3i by Molmil
Non-ribosomal PCP-C didomain (thioether stabilised glycolic acid) acceptor bound state
Descriptor: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
Authors:Ho, Y.T.C, Izore, T, Cryle, M.J.
Deposit date:2023-02-08
Release date:2023-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8G3J
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BU of 8g3j by Molmil
Non-ribosomal PCP-C didomain R2577G (thioether stabilised glycolic acid) acceptor bound state
Descriptor: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
Authors:Ho, Y.T.C, Izore, T, Cryle, M.J.
Deposit date:2023-02-08
Release date:2023-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8BPP
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BU of 8bpp by Molmil
crystal structure of N-ethylmaleimide reductase (nemA) from Escherichia coli
Descriptor: FLAVIN MONONUCLEOTIDE, N-ethylmaleimide reductase
Authors:Pfister, P, Tinzl, M, Erb, T.
Deposit date:2022-11-17
Release date:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Development of the Biocatalytic Reductive Aldol Reaction
To Be Published
8BPQ
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BU of 8bpq by Molmil
crystal structure of N-ethylmaleimide reductase with mutation Y187F (nemA Y187F) from Escherichia coli
Descriptor: FLAVIN MONONUCLEOTIDE, N-ethylmaleimide reductase, Tb-Xo4
Authors:Pfister, P, Tinzl, M, Erb, T.
Deposit date:2022-11-17
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of the Biocatalytic Reductive Aldol Reaction
To Be Published
2YIX
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BU of 2yix by Molmil
Triazolopyridine Inhibitors of p38
Descriptor: 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M.
Deposit date:2011-05-17
Release date:2011-11-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 54, 2011
6OWE
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BU of 6owe by Molmil
Enoyl-CoA carboxylases/reductases in complex with ethylmalonyl CoA
Descriptor: 5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate), Crotonyl-CoA carboxylase/reductase, IMIDAZOLE, ...
Authors:DeMirci, H.
Deposit date:2019-05-09
Release date:2019-06-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Four amino acids define the CO2binding pocket of enoyl-CoA carboxylases/reductases.
Proc.Natl.Acad.Sci.USA, 116, 2019
6HU5
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BU of 6hu5 by Molmil
STRUCTURE OF HEWL BY ELECTRON DIFFRACTION AND MICROFOCUS DIFFRACTION
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Garau, G.
Deposit date:2018-10-05
Release date:2019-01-23
Last modified:2019-07-17
Method:ELECTRON CRYSTALLOGRAPHY (2.8 Å)
Cite:Nanobeam precession-assisted 3D electron diffraction reveals a new polymorph of hen egg-white lysozyme.
Iucrj, 6, 2019
8QLE
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BU of 8qle by Molmil
Crystal structure of the light-driven sodium pump ErNaR in the monomeric form at pH 4.6
Descriptor: Bacteriorhodopsin-like protein, EICOSANE, OLEIC ACID
Authors:Kovalev, K, Podoliak, E, Lamm, G.H.U, Astashkin, R, Bourenkov, G.
Deposit date:2023-09-19
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A subgroup of light-driven sodium pumps with an additional Schiff base counterion.
Nat Commun, 15, 2024
8QLF
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BU of 8qlf by Molmil
Crystal structure of the light-driven sodium pump ErNaR in the monomeric form at pH 8.8
Descriptor: Bacteriorhodopsin-like protein, EICOSANE, OLEIC ACID
Authors:Kovalev, K, Podoliak, E, Lamm, G.H.U, Astashkin, R, Bourenkov, G.
Deposit date:2023-09-19
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:A subgroup of light-driven sodium pumps with an additional Schiff base counterion.
Nat Commun, 15, 2024
6HT2
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BU of 6ht2 by Molmil
STRUCTURE OF HEWL BY ELECTRON DIFFRACTION AND MICROFOCUS DIFFRACTION
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Garau, G.
Deposit date:2018-10-02
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Nanobeam precession-assisted 3D electron diffraction reveals a new polymorph of hen egg-white lysozyme.
Iucrj, 6, 2019
7OQ6
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BU of 7oq6 by Molmil
Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
Authors:Zhang, L, Zhang, S, Bechthold, A, Einsle, O.
Deposit date:2021-06-02
Release date:2022-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate.
Acta Pharm Sin B, 13, 2023
6VA7
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BU of 6va7 by Molmil
Crystal structure of glucose-6-phosphate dehydrogenase P396L mutant in complex with catalytic NADP+
Descriptor: Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Horikoshi, N, Mochly-Rosen, D, Wakatsuki, S.
Deposit date:2019-12-17
Release date:2021-01-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency.
Proc.Natl.Acad.Sci.USA, 118, 2021
6VA8
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BU of 6va8 by Molmil
Crystal structure of glucose-6-phosphate dehydrogenase F381L mutant in complex with catalytic NADP+
Descriptor: Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Horikoshi, N, Mochly-Rosen, D, Wakatsuki, S.
Deposit date:2019-12-17
Release date:2021-01-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.95 Å)
Cite:Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency.
Proc.Natl.Acad.Sci.USA, 118, 2021
6VA9
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BU of 6va9 by Molmil
Crystal structure of glucose-6-phosphate dehydrogenase R393H mutant in complex with catalytic NADP+
Descriptor: Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Horikoshi, N, Mochly-Rosen, D, Wakatsuki, S.
Deposit date:2019-12-17
Release date:2021-01-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.95 Å)
Cite:Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency.
Proc.Natl.Acad.Sci.USA, 118, 2021
6VA0
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BU of 6va0 by Molmil
Crystal structure of glucose-6-phosphate dehydrogenase W509A mutant in complex with catalytic NADP+
Descriptor: Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Horikoshi, N, Mochly-Rosen, D, Wakatsuki, S.
Deposit date:2019-12-16
Release date:2021-01-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency.
Proc.Natl.Acad.Sci.USA, 118, 2021
6VAQ
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BU of 6vaq by Molmil
Crystal structure of glucose-6-phosphate dehydrogenase V394L mutant in complex with catalytic NADP+
Descriptor: Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Horikoshi, N, Mochly-Rosen, D, Wakatsuki, S.
Deposit date:2019-12-17
Release date:2021-01-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency.
Proc.Natl.Acad.Sci.USA, 118, 2021

222415

数据于2024-07-10公开中

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