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PDB: 42254 results

7PV7
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BU of 7pv7 by Molmil
Crystal structure of dimeric Porphyromonas gingivalis PorX, a type 9 secretion system response regulator.
Descriptor: BERYLLIUM TRIFLUORIDE ION, FORMIC ACID, GLYCEROL, ...
Authors:Schmitz, C.A, Madej, M, Potempa, J, Sola, M.
Deposit date:2021-10-01
Release date:2022-12-14
Last modified:2022-12-28
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Response regulator PorX coordinates oligonucleotide signalling and gene expression to control the secretion of virulence factors.
Nucleic Acids Res., 50, 2022
7PVA
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BU of 7pva by Molmil
1.9 Angstrom crystal structure of dimeric PorX, co-crystallized in the presence of zinc
Descriptor: BERYLLIUM TRIFLUORIDE ION, CHLORIDE ION, FORMIC ACID, ...
Authors:Schmitz, C.A, Madej, M, Potempa, J, Sola, M.
Deposit date:2021-10-01
Release date:2022-12-14
Last modified:2022-12-28
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Response regulator PorX coordinates oligonucleotide signalling and gene expression to control the secretion of virulence factors.
Nucleic Acids Res., 50, 2022
7PVK
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BU of 7pvk by Molmil
X-ray structure of dimeric PorX (T272A mutant), in complex with pGpG.
Descriptor: BERYLLIUM TRIFLUORIDE ION, FORMIC ACID, GLYCEROL, ...
Authors:Schmitz, C.A, Madej, M, Potempa, J, Sola, M.
Deposit date:2021-10-04
Release date:2022-12-14
Last modified:2023-01-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Response regulator PorX coordinates oligonucleotide signalling and gene expression to control the secretion of virulence factors
Nucleic Acids Res., 50, 2022
7PN7
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BU of 7pn7 by Molmil
Evolved unspecific peroxygenase with A77L mutation in complex with palmitoleic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, CHLORIDE ION, ...
Authors:Fernandez-Garcia, A, Sanz-Aparicio, J.
Deposit date:2021-09-06
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Angew.Chem.Int.Ed.Engl., 62, 2023
7PN4
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BU of 7pn4 by Molmil
Evolved unspecific peroxygenase with A77L mutation in complex with naphthalene
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, CHLORIDE ION, ...
Authors:Fernandez-Garcia, A, Sanz-Aparicio, J.
Deposit date:2021-09-06
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Angew.Chem.Int.Ed.Engl., 62, 2023
7PN5
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BU of 7pn5 by Molmil
Evolved unspecific peroxygenase with A77L mutation in complex with hexane
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, CHLORIDE ION, ...
Authors:Fernandez-Garcia, A, Sanz-Aparicio, J.
Deposit date:2021-09-06
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Angew.Chem.Int.Ed.Engl., 62, 2023
7PN8
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BU of 7pn8 by Molmil
Evolved unspecific peroxygenase with A77L mutation in complex with tetradecane
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, CHLORIDE ION, ...
Authors:Fernandez-Garcia, A, Sanz-Aparicio, J.
Deposit date:2021-09-06
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Angew.Chem.Int.Ed.Engl., 62, 2023
7PN9
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BU of 7pn9 by Molmil
Evolved unspecific peroxygenase with A77L mutation in complex with lauric acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, CHLORIDE ION, ...
Authors:Fernandez-Garcia, A, Sanz-Aparicio, J.
Deposit date:2021-09-06
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Angew.Chem.Int.Ed.Engl., 62, 2023
8CJC
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BU of 8cjc by Molmil
F515A variant of the CODH/ACS complex of C. hydrogenoformans
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ...
Authors:Ruickoldt, J, Jeoung, J, Lennartz, F, Dobbek, H.
Deposit date:2023-02-13
Release date:2024-02-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Coupling CO2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis.
Angew.Chem.Int.Ed.Engl., 2024
7PN6
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BU of 7pn6 by Molmil
Evolved unspecific peroxygenase with A77L mutation in complex with myristic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, CHLORIDE ION, ...
Authors:Fernandez-Garcia, A, Sanz-Aparicio, J.
Deposit date:2021-09-06
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Angew.Chem.Int.Ed.Engl., 62, 2023
7PNA
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BU of 7pna by Molmil
Evolved unspecific peroxygenase with A77L mutation in complex with 12-methoxylauric acid
Descriptor: 12-methoxylauric acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, ...
Authors:Fernandez-Garcia, A, Sanz-Aparicio, J.
Deposit date:2021-09-06
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Angew.Chem.Int.Ed.Engl., 62, 2023
6P9F
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BU of 6p9f by Molmil
Crystal structure of RAR-related orphan receptor C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor
Descriptor: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera, trans-4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid
Authors:Sack, J.
Deposit date:2019-06-10
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of potent, selective and orally bioavailable phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfone analogues as ROR gamma t inverse agonists.
Bioorg.Med.Chem.Lett., 29, 2019
8C6C
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BU of 8c6c by Molmil
Light SFX structure of D.m(6-4)photolyase at 300ps time delay
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S.
Deposit date:2023-01-11
Release date:2023-11-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
8C6H
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BU of 8c6h by Molmil
Light SFX structure of D.m(6-4)photolyase at 2ps time delay
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S.
Deposit date:2023-01-11
Release date:2023-11-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
7Q9F
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BU of 7q9f by Molmil
Beta-50 fab in complex with SARS-CoV-2 beta-Spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2021-11-12
Release date:2021-12-15
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
7Q9J
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BU of 7q9j by Molmil
Beta-26 fab in complex with SARS-CoV-2 beta-Spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-26 heavy chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2021-11-12
Release date:2021-12-15
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (4 Å)
Cite:The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
7Q9G
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BU of 7q9g by Molmil
COVOX-222 fab in complex with SARS-CoV-2 beta-Spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 heavy chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2021-11-12
Release date:2021-12-15
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
7Q9I
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BU of 7q9i by Molmil
Beta-43 fab in complex with SARS-CoV-2 beta-Spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-43 heavy chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2021-11-12
Release date:2021-12-15
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
7Q9K
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BU of 7q9k by Molmil
Beta-32 fab in complex with SARS-CoV-2 beta-Spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-32 heavy chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2021-11-12
Release date:2021-12-15
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
7Q9M
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BU of 7q9m by Molmil
Beta-53 fab in complex with SARS-CoV-2 beta-Spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-53 fab heavy chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2021-11-12
Release date:2021-12-15
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
7Q9P
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BU of 7q9p by Molmil
Beta-06 fab in complex with SARS-CoV-2 beta-Spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-06 heavy chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2021-11-12
Release date:2021-12-15
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
5FBB
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BU of 5fbb by Molmil
S1 nuclease from Aspergillus oryzae in complex with phosphate and adenosine 5'-monophosphate
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
Authors:Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
7QU5
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BU of 7qu5 by Molmil
X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa
Descriptor: DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Stegmann, D, Steuber, J, Fritz, G.
Deposit date:2022-01-17
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78, 2022
7QTY
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BU of 7qty by Molmil
X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae
Descriptor: 1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Stegmann, D, Steuber, J, Fritz, G.
Deposit date:2022-01-17
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78, 2022
7QU3
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BU of 7qu3 by Molmil
X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa
Descriptor: 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Stegmann, D, Steuber, J, Fritz, G.
Deposit date:2022-01-17
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78, 2022

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