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7Z7X
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BU of 7z7x by Molmil
CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-H6 nanobody complex
分子名称: 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-H6, ...
著者Weckener, M, Naismith, J.H.
登録日2022-03-16
公開日2022-07-13
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z86
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BU of 7z86 by Molmil
CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-H4 Q98R H100E nanobody complex in 1Up2Down conformation
分子名称: 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-H4 Q98R H100E, ...
著者Weckener, M, Naismith, J.H.
登録日2022-03-16
公開日2022-07-13
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z6V
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BU of 7z6v by Molmil
CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11 nanobody complex
分子名称: 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, ...
著者Weckener, M, Naismith, J.H, Vogirala, V.K.
登録日2022-03-14
公開日2022-07-13
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
6TSC
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BU of 6tsc by Molmil
OphMA I407P complex with SAH
分子名称: GLY-PHE-PRO-TRP-MVA-ILE-MVA-VAL-GLY-VAL-PRO-GLY, Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Song, H, Naismith, J.H.
登録日2019-12-20
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
1KCZ
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BU of 1kcz by Molmil
Crystal Structure of beta-methylaspartase from Clostridium tetanomorphum. Mg-complex.
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, beta-methylaspartase
著者Asuncion, M, Blankenfeldt, W, Barlow, J.N, Gani, D, Naismith, J.H.
登録日2001-11-12
公開日2001-12-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of 3-methylaspartase from Clostridium tetanomorphum functions via the common enolase chemical step.
J.Biol.Chem., 277, 2002
1KD0
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BU of 1kd0 by Molmil
Crystal Structure of beta-methylaspartase from Clostridium tetanomorphum. Apo-structure.
分子名称: 1,2-ETHANEDIOL, beta-methylaspartase
著者Asuncion, M, Blankenfeldt, W, Barlow, J.N, Gani, D, Naismith, J.H.
登録日2001-11-12
公開日2001-12-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of 3-methylaspartase from Clostridium tetanomorphum functions via the common enolase chemical step.
J.Biol.Chem., 277, 2002
1O7I
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BU of 1o7i by Molmil
Crystal structure of a single stranded DNA binding protein
分子名称: SINGLE STRANDED DNA BINDING PROTEIN, SULFATE ION
著者Kerr, I.D, Naismith, J.H.
登録日2002-11-05
公開日2003-06-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Insights into ssDNA recognition by the OB fold from a structural and thermodynamic study of Sulfolobus SSB protein.
EMBO J., 22, 2003
1OFN
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BU of 1ofn by Molmil
Purification, crystallisation and preliminary structural studies of dTDP-4-keto-6-deoxy-glucose-5-epimerase (EvaD) from Amycolatopsis orientalis; the fourth enzyme in the dTDP-L-epivancosamine biosynthetic pathway.
分子名称: GLYCEROL, PCZA361.16
著者Merkel, A.B, Naismith, J.H.
登録日2003-04-17
公開日2004-04-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Purification, Crystallization and Preliminary Structural Studies of Dtdp-4-Keto-6-Deoxy-Glucose-5-Epimerase (Evad) from Amycolatopsis Orientalis, the Fourth Enzyme in the Dtdp-L-Epivancosamine Biosynthetic Pathway.
Acta Crystallogr.,Sect.D, 58, 2002
1PM7
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BU of 1pm7 by Molmil
RmlC (dTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE)STRUCTURE FROM MYCOBACTERIUM TUBERCULOSIS AND INHIBITOR DESIGN. THE APO STRUCTURE.
分子名称: ACETATE ION, GLYCEROL, RFBC
著者Dong, C, Naismith, J.H, TB Structural Genomics Consortium (TBSGC)
登録日2003-06-10
公開日2003-12-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel inhibitors of an emerging target in Mycobacterium tuberculosis; substituted thiazolidinones as inhibitors of dTDP-rhamnose synthesis.
Bioorg.Med.Chem.Lett., 13, 2003
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
分子名称: S,R MESO-TARTARIC ACID, dTDP-4-dehydrorhamnose 3,5-epimerase
著者Dong, C.J, Naismith, J.H.
登録日2003-12-10
公開日2004-03-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献RmlC (dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase) crystal structure from Pseudomonas aeruginosa, apo structure
TO BE PUBLISHED
7BKA
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BU of 7bka by Molmil
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with DDD01870824
分子名称: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, 4-ethylbenzenesulfonamide, DIMETHYL SULFOXIDE
著者Moynie, L, Naismith, J.H.
登録日2021-01-15
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structures of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa
To Be Published
7BHJ
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BU of 7bhj by Molmil
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with DDD00084774
分子名称: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, ~{N}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{H}-1,2,4-triazol-3-amine
著者Moynie, L, Naismith, J.H.
登録日2021-01-11
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA)from Pseudomonas aeruginosa in complex with DDD00084774
To Be Published
6Z43
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BU of 6z43 by Molmil
Cryo-EM Structure of SARS-CoV-2 Spike : H11-D4 Nanobody Complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody, ...
著者Ruza, R.R, Duyvesteyn, H.M.E, Shah, P, Carrique, L, Ren, J, Malinauskas, T, Zhou, D, Stuart, D.I, Naismith, J.H.
登録日2020-05-22
公開日2020-06-03
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for a potent neutralising single-domain antibody that blocks SARS-CoV-2 binding to its receptor ACE2
To Be Published
2IYC
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BU of 2iyc by Molmil
SENP1 native structure
分子名称: SENTRIN-SPECIFIC PROTEASE 1
著者Dong, C, Naismith, J.H.
登録日2006-07-14
公開日2006-08-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Senp1 Native Structure
To be Published
2IYD
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BU of 2iyd by Molmil
SENP1 covalent complex with SUMO-2
分子名称: SENTRIN-SPECIFIC PROTEASE 1, SMALL UBIQUITIN-RELATED MODIFIER 2
著者Dong, C, Naismith, J.H.
登録日2006-07-14
公開日2006-08-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Senp1 Native Structure
To be Published
2JKC
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BU of 2jkc by Molmil
Crystal Structure of E346D of Tryptophan 7-Halogenase (PrnA)
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase PrnA, ...
著者Zhu, X, Naismith, J.H.
登録日2008-08-26
公開日2008-09-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献New insights into the mechanism of enzymatic chlorination of tryptophan.
Angew. Chem. Int. Ed. Engl., 47, 2008
6FU2
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BU of 6fu2 by Molmil
ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus in complex with PRPP and ATP
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
登録日2018-02-26
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献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
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, ...
著者Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
登録日2018-02-26
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, FE (III) ION, Ferric enterobactin esterase, ...
著者Moynie, L, Naismith, J.H.
登録日2018-05-09
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献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
分子名称: 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
著者Moynie, L, Naismith, J.H.
登録日2018-05-09
公開日2018-06-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, FE (III) ION, ...
著者Moynie, L, Naismith, J.H.
登録日2018-05-09
公開日2018-06-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献A Key Role for the Periplasmic PfeE Esterase in Iron Acquisition via the Siderophore Enterobactin in Pseudomonas aeruginosa.
ACS Chem. Biol., 13, 2018
6GEW
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BU of 6gew by Molmil
OphA Y63F-sinefungin complex
分子名称: OphA, S-ADENOSYL-L-HOMOCYSTEINE, SINEFUNGIN
著者Song, H, Naismith, J.H.
登録日2018-04-27
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
6GI0
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BU of 6gi0 by Molmil
Crystal structure of the ferric enterobactin esterase (PfeE) from Pseudomonas aeruginosa
分子名称: Ferric enterobactin esterase, NITRATE ION
著者Moynie, L, Naismith, J.H.
登録日2018-05-09
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Key Role for the Periplasmic PfeE Esterase in Iron Acquisition via the Siderophore Enterobactin in Pseudomonas aeruginosa.
ACS Chem. Biol., 13, 2018
6H7F
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BU of 6h7f by Molmil
Crystal structure of BauA, the Ferric preacinetobactin receptor from Acinetobacter baumannii in complex with Fe3+-Preacinetobactin-acinetobactin
分子名称: (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, ...
著者Moynie, L, Naismith, J.H.
登録日2018-07-31
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Preacinetobactin not acinetobactin is essential for iron uptake by the BauA transporter of the pathogenAcinetobacter baumannii.
Elife, 7, 2018
6H7V
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BU of 6h7v by Molmil
Crystal structure of BauA, the Ferric preacinetobactin receptor from Acinetobacter baumannii
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, Ligand-gated channel protein
著者Moynie, L, Naismith, J.H.
登録日2018-07-31
公開日2018-10-10
最終更新日2019-01-16
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Preacinetobactin not acinetobactin is essential for iron uptake by the BauA transporter of the pathogenAcinetobacter baumannii.
Elife, 7, 2018

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