6FU7
 
 | | ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus in complex with PRATP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, ... | | Authors: | Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G. | | Deposit date: | 2018-02-26 | | Release date: | 2018-10-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
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6GI2
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6GI5
 | | Crystal structure of the ferric enterobactin esterase (PfeE) from Pseudomonas aeruginosa in complex with the tris-catechol vector | | Descriptor: | FE (III) ION, Ferric enterobactin esterase, ~{N}-[2-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide | | Authors: | Moynie, L, Naismith, J.H. | | Deposit date: | 2018-05-09 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | A Key Role for the Periplasmic PfeE Esterase in Iron Acquisition via the Siderophore Enterobactin in Pseudomonas aeruginosa.
ACS Chem. Biol., 13, 2018
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6GI1
 | | Crystal structure of the ferric enterobactin esterase (pfeE) mutant(S157A) from Pseudomonas aeruginosa in presence of enterobactin | | Descriptor: | 1,2-ETHANEDIOL, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, FE (III) ION, ... | | Authors: | Moynie, L, Naismith, J.H. | | Deposit date: | 2018-05-09 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | A Key Role for the Periplasmic PfeE Esterase in Iron Acquisition via the Siderophore Enterobactin in Pseudomonas aeruginosa.
ACS Chem. Biol., 13, 2018
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6GEW
 | | OphA Y63F-sinefungin complex | | Descriptor: | OphA, S-ADENOSYL-L-HOMOCYSTEINE, SINEFUNGIN | | Authors: | Song, H, Naismith, J.H. | | Deposit date: | 2018-04-27 | | Release date: | 2018-09-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
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6GI0
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6H7F
 | | Crystal structure of BauA, the Ferric preacinetobactin receptor from Acinetobacter baumannii in complex with Fe3+-Preacinetobactin-acinetobactin | | Descriptor: | (4~{S},5~{R})-2-[2,3-bis(oxidanyl)phenyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-~{N}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, ... | | Authors: | Moynie, L, Naismith, J.H. | | Deposit date: | 2018-07-31 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Preacinetobactin not acinetobactin is essential for iron uptake by the BauA transporter of the pathogenAcinetobacter baumannii.
Elife, 7, 2018
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6H7V
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6HCP
 | | Crystal structure of BauA, the Ferric preacinetobactin receptor from Acinetobacter baumannii | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, BauA, ... | | Authors: | Moynie, L, Naismith, J.H. | | Deposit date: | 2018-08-16 | | Release date: | 2018-10-10 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Preacinetobactin not acinetobactin is essential for iron uptake by the BauA transporter of the pathogenAcinetobacter baumannii.
Elife, 7, 2018
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1I8T
 | | STRUCTURE OF UDP-GALACTOPYRANOSE MUTASE FROM E.COLI | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, UDP-GALACTOPYRANOSE MUTASE | | Authors: | Sanders, D.A.R, Staines, A.G, McMahon, S.A, McNeil, M.R, Whitfield, C, Naismith, J.H. | | Deposit date: | 2001-03-16 | | Release date: | 2001-10-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | UDP-galactopyranose mutase has a novel structure and mechanism.
Nat.Struct.Biol., 8, 2001
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2AQJ
 | | The structure of tryptophan 7-halogenase (PrnA) suggests a mechanism for regioselective chlorination | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, TRYPTOPHAN, ... | | Authors: | Dong, C, Flecks, S, Unversucht, S, Haupt, C, Van Pee, K.-H, Naismith, J.H, Scottish Structural Proteomics Facility (SSPF) | | Deposit date: | 2005-08-18 | | Release date: | 2005-10-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination.
Science, 309, 2005
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2AR8
 | | The structure of tryptophan 7-halogenase (PrnA)suggests a mechanism for regioselective chlorination | | Descriptor: | 7-CHLOROTRYPTOPHAN, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Dong, C, Flecks, S, Unversucht, S, Haupt, C, Van Pee, K.H, Naismith, J.H, Scottish Structural Proteomics Facility (SSPF) | | Deposit date: | 2005-08-19 | | Release date: | 2005-10-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination.
Science, 309, 2005
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2APG
 | | The structure of tryptophan 7-halogenase (PrnA)suggests a mechanism for regioselective chlorination | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Dong, C, Flecks, S, Unversucht, S, Haupt, C, Van Pee, K.H, Naismith, J.H, Scottish Structural Proteomics Facility (SSPF) | | Deposit date: | 2005-08-16 | | Release date: | 2005-10-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination.
Science, 309, 2005
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2ARD
 | | The structure of tryptophan 7-halogenase (PrnA) suggests a mechanism for regioselective chlorination | | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, tryptophan halogenase PrnA | | Authors: | Dong, C, Flecks, S, Unversucht, S, Haupt, C, Van Pee, K.H, Naismith, J.H, Scottish Structural Proteomics Facility (SSPF) | | Deposit date: | 2005-08-19 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination.
Science, 309, 2005
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7Z1B
 | | Nanobody H11-A10 and F2 bound to RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody A10, Nanobody F2, ... | | Authors: | Mikolajek, H, Naismith, J.H. | | Deposit date: | 2022-02-24 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7Z1A
 | | Nanobody H11 and F2 bound to RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 Nanobody, H11 Nanobody, ... | | Authors: | Mikolajek, H, Naismith, J.H. | | Deposit date: | 2022-02-24 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7Z1D
 | | Nanobody H11-H6 bound to RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, H11-H6 nanobody, ... | | Authors: | Mikolajek, H, Naismith, J.H. | | Deposit date: | 2022-02-24 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7Z1E
 | | Nanobody H11-H4 Q98R H100E bound to RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, H11-H4 Q98R H100E, ... | | Authors: | Mikolajek, H, Naismith, J.H. | | Deposit date: | 2022-02-24 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7Z1C
 | | Nanobody H11-B5 and H11-F2 bound to RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Nanobody B5, ... | | Authors: | Mikolajek, H, Naismith, J.H. | | Deposit date: | 2022-02-24 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZB1
 | | S580A with 18mer | | Descriptor: | 1,2-ETHANEDIOL, 18mer, BICARBONATE ION, ... | | Authors: | Song, H, Naismith, J.H. | | Deposit date: | 2022-03-23 | | Release date: | 2022-07-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
Biorxiv, 2022
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7ZB2
 | | apo macrocyclase OphP | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Song, H, Naismith, J.H. | | Deposit date: | 2022-03-23 | | Release date: | 2022-07-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
Biorxiv, 2022
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7ZAZ
 | | macrocyclase OphP with ZPP | | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Song, H, Naismith, J.H. | | Deposit date: | 2022-03-23 | | Release date: | 2022-07-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
Biorxiv, 2022
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7Z9R
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7ZB0
 | | macrocyclase OphP with 15mer | | Descriptor: | 1,2-ETHANEDIOL, 15mer, BICARBONATE ION, ... | | Authors: | Song, H, Naismith, J.H. | | Deposit date: | 2022-03-23 | | Release date: | 2022-07-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
Biorxiv, 2022
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7Z9Q
 | | CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-A10 nanobody complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody H11-A10, ... | | Authors: | Weckener, M, Naismith, J.H. | | Deposit date: | 2022-03-21 | | Release date: | 2022-07-13 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
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