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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
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
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
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
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
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
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
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
5N0T
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BU of 5n0t by Molmil
Crystal structure of OphA-DeltaC6 mutant Y76F in complex with SAM
Descriptor: 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 (1.78 Å)
Cite:A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
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
5N4D
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BU of 5n4d by Molmil
Prolyl oligopeptidase B from Galerina marginata bound to 25mer macrocyclization substrate - D661A 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 (1.62 Å)
Cite:Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
5N4F
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BU of 5n4f by Molmil
Prolyl oligopeptidase B from Galerina marginata - apo protein
Descriptor: 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 (2.4 Å)
Cite:Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
5NJO
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BU of 5njo 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
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 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
5NR2
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BU of 5nr2 by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa in complex with azotochelin
Descriptor: 1,2-ETHANEDIOL, Azotochelin, FE (III) ION, ...
Authors:Moynie, L, Naismith, J.H.
Deposit date:2017-04-21
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
5N0R
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BU of 5n0r by Molmil
Crystal structure of OphA-DeltaC6 mutant Y66F in complex with SAM
Descriptor: 1,2-ETHANEDIOL, CHLORIDE 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 (1.61 Å)
Cite:A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
5N4I
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BU of 5n4i by Molmil
Crystal structure of OphA-DeltaC6 mutant W400A in complex with SAM
Descriptor: BICARBONATE ION, GLYCEROL, MALONATE ION, ...
Authors:Song, H, Naismith, J.H.
Deposit date:2017-02-10
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
5NC4
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BU of 5nc4 by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with protochelin from Pseudomonas aeruginosa
Descriptor: FE (III) ION, Ferric enterobactin receptor, ~{N}-[(5~{S})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide
Authors:Moynie, L, Naismith, J.H.
Deposit date:2017-03-03
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
6Q5E
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BU of 6q5e by Molmil
Crystal structure of the ferric enterobactin receptor from Pseudomonas aeruginosa (PfeA) in complex with enterobactin
Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, FE (III) ION, Ferric enterobactin receptor, ...
Authors:Moynie, L, Naismith, J.H.
Deposit date:2018-12-07
Release date:2019-01-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
6QGM
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BU of 6qgm by Molmil
VirX1 apo structure
Descriptor: VirX1
Authors:Gkotsi, D.S, Ludewig, H, Sharma, S.V, Unsworth, W.P, Taylor, R.J.K, McLachlan, M.M.W, Shanahan, S, Naismith, J.H, Goss, R.J.M.
Deposit date:2019-01-11
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A marine viral halogenase that iodinates diverse substrates.
Nat.Chem., 11, 2019
6QZY
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BU of 6qzy by Molmil
full length OphA V406P in complex with SAH
Descriptor: ASN-GLY-PHE-PRO-TRP-MVA-ILE-MVA-VAL-GLY-PRO-ILE-GLY, MAGNESIUM ION, Peptide N-methyltransferase, ...
Authors:Song, H, Naismith, J.H.
Deposit date:2019-03-12
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
6QZZ
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BU of 6qzz by Molmil
full length OphA V404E in complex with SAH
Descriptor: Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Song, H, Naismith, J.H.
Deposit date:2019-03-12
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
6R00
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BU of 6r00 by Molmil
OphA DeltaC6 V404F complex with SAH
Descriptor: PHE-PRO-TRP-MVA-ILE-MVA-PHE-GLY-VAL-ILE-GLY-VAL-ILE-GLY, Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Song, H, Naismith, J.H.
Deposit date:2019-03-12
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020

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