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8OYU
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BU of 8oyu by Molmil
Stabilised BA.1 SARS-CoV-2 spike with H6 nanobodies in '2 up 1 down' RBD conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H6 nanobody, ...
Authors:Weckener, M, Naismith, J.H, Owens, R.J.
Deposit date:2023-05-05
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Trimeric nanobodies potently neutralize Omicron variants of SARS-CoV-2
To Be Published
1KC1
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BU of 1kc1 by Molmil
Crystal structure of dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) in complex with NADPH
Descriptor: MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Blankenfeldt, W, Kerr, I.D, Giraud, M.F, McMiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H.
Deposit date:2001-11-07
Release date:2002-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Variation on a theme of SDR. dTDP-6-deoxy-L- lyxo-4-hexulose reductase (RmlD) shows a new Mg2+-dependent dimerization mode.
Structure, 10, 2002
1KBZ
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BU of 1kbz by Molmil
Crystal Structure of apo-dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) from Salmonella enterica serovar Typhimurium
Descriptor: MAGNESIUM ION, dTDP-glucose oxidoreductase
Authors:Blankenfeldt, W, Kerr, I.D, Giraud, M.F, McMiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H.
Deposit date:2001-11-07
Release date:2002-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Variation on a theme of SDR. dTDP-6-deoxy-L- lyxo-4-hexulose reductase (RmlD) shows a new Mg2+-dependent dimerization mode.
Structure, 10, 2002
1KC3
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BU of 1kc3 by Molmil
Crystal structure of dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) in complex with NADPH and dTDP-L-rhamnose
Descriptor: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Blankenfeldt, W, Kerr, I.D, Giraud, M.F, McMiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H.
Deposit date:2001-11-07
Release date:2002-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Variation on a theme of SDR. dTDP-6-deoxy-L- lyxo-4-hexulose reductase (RmlD) shows a new Mg2+-dependent dimerization mode.
Structure, 10, 2002
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
1BXH
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BU of 1bxh by Molmil
CONCANAVALIN A COMPLEXED TO METHYL ALPHA1-2 MANNOBIOSIDE
Descriptor: CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ...
Authors:Moothoo, D.N, Canaan, B, Field, R.A, Naismith, J.H.
Deposit date:1998-10-02
Release date:1998-10-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Man alpha1-2 Man alpha-OMe-concanavalin A complex reveals a balance of forces involved in carbohydrate recognition.
Glycobiology, 9, 1999
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
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
7NHR
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BU of 7nhr by Molmil
Putative transmembrane protein Wzc K540M C1
Descriptor: Putative transmembrane protein Wzc
Authors:Liu, J.W, Yang, Y, Naismith, J.H.
Deposit date:2021-02-11
Release date:2021-08-25
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:The molecular basis of regulation of bacterial capsule assembly by Wzc.
Nat Commun, 12, 2021
7OBW
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BU of 7obw by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa in complex with TCV-L6
Descriptor: FE (III) ION, Ferric enterobactin receptor, [4-[[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{S})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate
Authors:Moynie, L, Naismith, J.H.
Deposit date:2021-04-23
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Hijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa .
Acs Infect Dis., 8, 2022
1O7I
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BU of 1o7i by Molmil
Crystal structure of a single stranded DNA binding protein
Descriptor: SINGLE STRANDED DNA BINDING PROTEIN, SULFATE ION
Authors:Kerr, I.D, Naismith, J.H.
Deposit date:2002-11-05
Release date:2003-06-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Insights into ssDNA recognition by the OB fold from a structural and thermodynamic study of Sulfolobus SSB protein.
EMBO J., 22, 2003
1OI6
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BU of 1oi6 by Molmil
Structure determination of the TMP-complex of EvaD
Descriptor: GLYCEROL, PCZA361.16, THYMIDINE-5'-PHOSPHATE
Authors:Merkel, A.B, Naismith, J.H.
Deposit date:2003-06-09
Release date:2004-06-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Position of a Key Tyrosine in Dtdp-4-Keto-6-Deoxy-D-Glucose-5-Epimerase (Evad) Alters the Substrate Profile for This Rmlc-Like Enzyme
J.Biol.Chem., 279, 2004
6FCA
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BU of 6fca by Molmil
Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with PRPP
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ATP phosphoribosyltransferase
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2017-12-20
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
6FCC
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BU of 6fcc by Molmil
Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT)
Descriptor: ATP phosphoribosyltransferase, L(+)-TARTARIC ACID
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2017-12-20
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
6FCW
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BU of 6fcw by Molmil
Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with PRATP
Descriptor: ATP phosphoribosyltransferase, MAGNESIUM ION, PHOSPHORIBOSYL ATP
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2017-12-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
6FCT
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BU of 6fct by Molmil
Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with PRPP and ATP
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ...
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2017-12-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
6FCY
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BU of 6fcy by Molmil
Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with PRPP and ADP
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-DIPHOSPHATE, ATP phosphoribosyltransferase, ...
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2017-12-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
6FD9
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BU of 6fd9 by Molmil
Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, ATP phosphoribosyltransferase
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2017-12-22
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
1RTV
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BU of 1rtv by Molmil
RmlC (dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase) crystal structure from Pseudomonas aeruginosa, apo structure
Descriptor: S,R MESO-TARTARIC ACID, dTDP-4-dehydrorhamnose 3,5-epimerase
Authors:Dong, C.J, Naismith, J.H.
Deposit date:2003-12-10
Release date:2004-03-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:RmlC (dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase) crystal structure from Pseudomonas aeruginosa, apo structure
TO BE PUBLISHED
6FU2
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BU of 6fu2 by Molmil
ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus in complex with PRPP and ATP
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, ...
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 (2.71 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
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: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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