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6FU7
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BU of 6fu7 by Molmil
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
6GI2
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BU of 6gi2 by Molmil
Crystal structure of the ferric enterobactin esterase (pfeE) mutant(S157A) from Pseudomonas aeruginosa in complex with Tris-catechol vector
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, Ferric enterobactin esterase, ...
Authors:Moynie, L, Naismith, J.H.
Deposit date:2018-05-09
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.49 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
6GI5
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BU of 6gi5 by Molmil
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:2018-10-03
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
6GI1
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BU of 6gi1 by Molmil
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:2018-10-03
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
5LQ4
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BU of 5lq4 by Molmil
The Structure of ThcOx, the First Oxidase Protein from the Cyanobactin Pathways
Descriptor: CyaGox, FLAVIN MONONUCLEOTIDE
Authors:Bent, A.F, Wagner, A, Naismith, J.H.
Deposit date:2016-08-16
Release date:2016-11-09
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of the cyanobactin oxidase ThcOx from Cyanothece sp. PCC 7425, the first structure to be solved at Diamond Light Source beamline I23 by means of S-SAD.
Acta Crystallogr D Struct Biol, 72, 2016
5M9B
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BU of 5m9b by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, Ferric enterobactin receptor
Authors:Moynie, L, Naismith, J.H.
Deposit date:2016-11-01
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
5M8H
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BU of 5m8h by Molmil
ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, ...
Authors:Alphey, M.S, Ge, Y, Naismith, J.H, da Silva, R.G.
Deposit date:2016-10-28
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Kinetics and Structure of a Cold-Adapted Hetero-Octameric ATP Phosphoribosyltransferase.
Biochemistry, 56, 2017
5LDV
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BU of 5ldv by Molmil
Crystal Structures of MOMP from Campylobacter jejuni
Descriptor: CALCIUM ION, MOMP porin, N-OCTANE, ...
Authors:Wallat, G.D, Ferrara, L.M.G, Moynie, L, Naismith, J.H.
Deposit date:2016-06-28
Release date:2016-10-26
Last modified:2016-11-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:MOMP from Campylobacter jejuni Is a Trimer of 18-Stranded beta-Barrel Monomers with a Ca(2+) Ion Bound at the Constriction Zone.
J.Mol.Biol., 428, 2016
5N0V
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BU of 5n0v by Molmil
Crystal structure of OphA-DeltaC6 mutant Y76F in complex with SAH
Descriptor: Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Song, H, Naismith, J.H.
Deposit date:2017-02-03
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
5MZS
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BU of 5mzs by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) mutant (R480A_Q482A) from Pseudomonas aeruginosa
Descriptor: Ferric enterobactin receptor
Authors:Moynie, L, Naismith, J.H.
Deposit date:2017-02-01
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
5N4B
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BU of 5n4b by Molmil
Prolyl oligopeptidase B from Galerina marginata bound to 25mer macrocyclization substrate - S577A mutant
Descriptor: Alpha-amanitin proprotein, Prolyl oligopeptidase
Authors:Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H.
Deposit date:2017-02-10
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
5NJN
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BU of 5njn by Molmil
Roll out the beta-barrel: structure and mechanism of Pac13, a unique nucleoside dehydratase
Descriptor: Putative cupin_2 domain-containing isomerase
Authors:Michailidou, F, Bent, A.F, Naismith, J.H, Goss, R.J.M.
Deposit date:2017-03-29
Release date:2018-03-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LDT
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BU of 5ldt by Molmil
Crystal Structures of MOMP from Campylobacter jejuni
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CALCIUM ION, MOMP porin
Authors:Ferrara, L.G.M, Wallat, G.D, Moynie, L, Naismith, J.H.
Deposit date:2016-06-27
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:MOMP from Campylobacter jejuni Is a Trimer of 18-Stranded beta-Barrel Monomers with a Ca(2+) Ion Bound at the Constriction Zone.
J.Mol.Biol., 428, 2016
5LMZ
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BU of 5lmz by Molmil
Fluorinase from Streptomyces sp. MA37
Descriptor: 1-DEAZA-ADENOSINE, CHLORIDE ION, Fluorinase, ...
Authors:Mann, G, O'Hagan, D, Naismith, J.H, Bandaranayaka, N.
Deposit date:2016-08-02
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Identification of fluorinases from Streptomyces sp MA37, Norcardia brasiliensis, and Actinoplanes sp N902-109 by genome mining.
Chembiochem, 15, 2014
5NC3
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BU of 5nc3 by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa in complex with the tris-catechol vector
Descriptor: FE (III) ION, Ferric enterobactin receptor, ~{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:2017-03-03
Release date:2018-03-21
Last modified:2022-08-17
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Hijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa.
Acs Infect Dis., 2022
5N4E
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BU of 5n4e by Molmil
Prolyl oligopeptidase B from Galerina marginata bound to 35mer hydrolysis and macrocyclization substrate - H698A mutant
Descriptor: Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase
Authors:Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H.
Deposit date:2017-02-10
Release date:2017-11-01
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
5N0W
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BU of 5n0w by Molmil
Crystal structure of OphA-DeltaC6 mutant R72A in complex with SAM
Descriptor: GLYCEROL, Peptide N-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Song, H, Naismith, J.H.
Deposit date:2017-02-03
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
5NEC
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BU of 5nec by Molmil
Crystal structure of the siderophore receptor PiuD from Pseudomonas aeruginosa
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, TonB-dependent siderophore receptor
Authors:Moynie, L, Naismith, J.H.
Deposit date:2017-03-10
Release date:2018-02-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:TonB-Dependent Receptor Repertoire of Pseudomonas aeruginosa for Uptake of Siderophore-Drug Conjugates.
Antimicrob. Agents Chemother., 62, 2018
5NC8
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BU of 5nc8 by Molmil
Shewanella denitrificans Kef CTD in AMP bound form
Descriptor: ADENOSINE MONOPHOSPHATE, Potassium efflux system protein
Authors:Pliotas, C, Naismith, J.H.
Deposit date:2017-03-03
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Adenosine Monophosphate Binding Stabilizes the KTN Domain of the Shewanella denitrificans Kef Potassium Efflux System.
Biochemistry, 56, 2017
5N0N
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BU of 5n0n by Molmil
Crystal structure of OphA-DeltaC6 mutant Y63F in complex with SAM
Descriptor: MAGNESIUM ION, Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Song, H, Naismith, J.H.
Deposit date:2017-02-03
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
5N0U
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BU of 5n0u by Molmil
Crystal structure of OphA-DeltaC6 mutant R72A in complex with SAH
Descriptor: MAGNESIUM ION, Peptide N-Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Song, H, Naismith, J.H.
Deposit date:2017-02-03
Release date:2018-02-14
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
5N0X
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BU of 5n0x by Molmil
Crystal structure of OphA-DeltaC6 in complex with SAM
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Peptide N-Methyltransferase, ...
Authors:Song, H, Naismith, J.H.
Deposit date:2017-02-03
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
5N4C
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BU of 5n4c by Molmil
Prolyl oligopeptidase B from Galerina marginata bound to 35mer hydrolysis and macrocyclization substrate - S577A mutant
Descriptor: Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase
Authors:Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H.
Deposit date:2017-02-10
Release date:2017-11-01
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
5N0S
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BU of 5n0s by Molmil
Crystal structure of OphA-DeltaC6 mutant Y98A in complex with SAM
Descriptor: MALONATE ION, Peptide N-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Song, H, Naismith, J.H.
Deposit date:2017-02-03
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
6Z43
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BU of 6z43 by Molmil
Cryo-EM Structure of SARS-CoV-2 Spike : H11-D4 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, ...
Authors:Ruza, R.R, Duyvesteyn, H.M.E, Shah, P, Carrique, L, Ren, J, Malinauskas, T, Zhou, D, Stuart, D.I, Naismith, J.H.
Deposit date:2020-05-22
Release date:2020-06-03
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for a potent neutralising single-domain antibody that blocks SARS-CoV-2 binding to its receptor ACE2
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