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6SSD
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BU of 6ssd by Molmil
Transaminase with PLP bound
分子名称: ForI-PLP, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Naismith, J.H, Gao, S.
登録日2019-09-06
公開日2020-01-15
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis.
Chem.Commun.(Camb.), 55, 2019
6TM4
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BU of 6tm4 by Molmil
NatL2 in complex with two molecules of salicylic acid
分子名称: 2-HYDROXYBENZOIC ACID, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Naismith, J.H, Song, H.
登録日2019-12-03
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
1QGL
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BU of 1qgl by Molmil
Room temperature structure of concanavalin A complexed to bivalent ligand
分子名称: 1,3-DI(N-PROPYLOXY-A-MANNOPYRANOSYL)-CARBOMYL 5-METHYAZIDO-BENZENE, CALCIUM ION, MANGANESE (II) ION, ...
著者Naismith, J.H.
登録日1999-04-30
公開日1999-05-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献On the Meaning of Affinity: Cluster Glycoside Effects and Concanavalin A
J.Am.Chem.Soc., 121, 1999
6YQQ
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BU of 6yqq by Molmil
ForT-PRPP complex
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, CHLORIDE ION, ForT-PRPP complex, ...
著者Naismith, J.H, Gao, S.
登録日2020-04-18
公開日2020-05-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Uncovering the chemistry of C-C bond formation in C-nucleoside biosynthesis: crystal structure of a C-glycoside synthase/PRPP complex.
Chem.Commun.(Camb.), 56, 2020
6Y47
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BU of 6y47 by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV-L5
分子名称: 1,2-ETHANEDIOL, FE (III) ION, Ferric enterobactin receptor, ...
著者Naismith, J.H, Moynie, L.M.
登録日2020-02-19
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Hijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa.
Acs Infect Dis., 2022
6Z3C
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BU of 6z3c by Molmil
High resolution structure of RgNanOx
分子名称: CITRATE ANION, Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Naismith, J.H, Lee, M.O.
登録日2020-05-19
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Uncovering a novel molecular mechanism for scavenging sialic acids in bacteria.
J.Biol.Chem., 295, 2020
7BK9
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BU of 7bk9 by Molmil
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with DDD00078426
分子名称: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, 5-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-2-furoic acid
著者Moynie, L, Naismith, J.H, Robinson, D.A.
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 (1.94 Å)
主引用文献Crystal structures of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa
To Be Published
7BIS
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BU of 7bis by Molmil
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA)from Pseudomonas aeruginosa in complex with DDD00082063
分子名称: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, 5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid
著者Moynie, L, Naismith, J.H.
登録日2021-01-13
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA)from Pseudomonas aeruginosa in complex with DDD00082063
To Be Published
6Z33
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BU of 6z33 by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV
分子名称: 1,2-ETHANEDIOL, FE (III) ION, Ferric enterobactin receptor, ...
著者Naismith, J.H, Moynie, L.M.
登録日2020-05-19
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.711 Å)
主引用文献Hijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa.
Acs Infect Dis., 2022
6Z3B
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BU of 6z3b by Molmil
Low resolution structure of RgNanOx
分子名称: CITRIC ACID, Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Naismith, J.H, Lee, M.
登録日2020-05-19
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Uncovering a novel molecular mechanism for scavenging sialic acids in bacteria.
J.Biol.Chem., 295, 2020
6Z2N
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BU of 6z2n by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV-L6
分子名称: 1,2-ETHANEDIOL, BCV-L6, FE (III) ION, ...
著者Naismith, J.H, Moynie, L.M.
登録日2020-05-18
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.029 Å)
主引用文献Hijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa.
Acs Infect Dis., 2022
6YY5
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BU of 6yy5 by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with TCV_L5
分子名称: FE (III) ION, Ferric enterobactin receptor, ~{N}-[2-[[(2~{S})-3-[[(2~{S})-3-[[1-[2-[2-[2-[4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide
著者Naismith, J.H, Moynie, L.M.
登録日2020-05-04
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.717 Å)
主引用文献Hijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa.
Acs Infect Dis., 2022
6ZHD
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BU of 6zhd by Molmil
H11-H4 bound to Spike
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, ...
著者Clare, D.K, Naismith, J.H, Weckener, M, Vogirala, V.K.
登録日2020-06-22
公開日2020-07-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献H11-H4 bound to Spike
To Be Published
6ZH9
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BU of 6zh9 by Molmil
Ternary complex CR3022 H11-H4 and RBD (SARS-CoV-2)
分子名称: CR3022 Light chain, CR3022 heavy, Nanobody H11-H4, ...
著者Naismith, J.H, Mikolajek, H, Le Bas, A.
登録日2020-06-21
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Neutralizing nanobodies bind SARS-CoV-2 spike RBD and block interaction with ACE2.
Nat.Struct.Mol.Biol., 27, 2020
1FQ0
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BU of 1fq0 by Molmil
KDPG ALDOLASE FROM ESCHERICHIA COLI
分子名称: CITRIC ACID, KDPG ALDOLASE
著者Naismith, J.H.
登録日2000-09-01
公開日2000-10-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Directed evolution of a new catalytic site in 2-keto-3-deoxy-6-phosphogluconate aldolase from Escherichia coli.
Structure, 9, 2001
1FWR
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BU of 1fwr by Molmil
CRYSTAL STRUCTURE OF KDPG ALDOLASE DOUBLE MUTANT K133Q/T161K
分子名称: CITRIC ACID, KDPG ALDOLASE
著者Naismith, J.H, Buchanan, L.V.
登録日2000-09-24
公開日2000-10-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Directed evolution of a new catalytic site in 2-keto-3-deoxy-6-phosphogluconate aldolase from Escherichia coli.
Structure, 9, 2001
5H8C
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BU of 5h8c by Molmil
Truncated XPD
分子名称: IRON/SULFUR CLUSTER, XPD/Rad3 related DNA helicase
著者Naismith, J.H, Constantinescu, D.
登録日2015-12-23
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Mechanism of DNA loading by the DNA repair helicase XPD.
Nucleic Acids Res., 44, 2016
5H8W
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BU of 5h8w by Molmil
XPD mechanism
分子名称: ATP-dependent DNA helicase Ta0057, DNA (5'-D(P*TP*AP*CP*GP*A)-3'), IRON/SULFUR CLUSTER, ...
著者Naismith, J.H, Constantinescu, D.
登録日2015-12-24
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of DNA loading by the DNA repair helicase XPD.
Nucleic Acids Res., 44, 2016
2XUV
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BU of 2xuv by Molmil
The structure of HdeB
分子名称: HDEB, SULFATE ION
著者Naismith, J.H, Wang, W.
登録日2010-10-21
公開日2011-08-24
最終更新日2012-01-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Salt Bridges Regulate Both Dimer Formation and Monomeric Flexibility in Hdeb and May Have a Role in Periplasmic Chaperone Function.
J.Mol.Biol., 415, 2012
2V7I
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BU of 2v7i by Molmil
PrnB native
分子名称: PRNB, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Naismith, J.H.
登録日2007-07-30
公開日2007-08-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily
Biochemistry, 46, 2007
2VL7
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BU of 2vl7 by Molmil
Structure of S. tokodaii Xpd4
分子名称: PHOSPHATE ION, XPD
著者Naismith, J.H, Johnson, K.A, Oke, M, McMahon, S.A, Liu, L, White, M.F, Zawadski, M, Carter, L.G.
登録日2008-01-08
公開日2008-05-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of the DNA Repair Helicase Xpd.
Cell(Cambridge,Mass.), 133, 2008
2VG0
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BU of 2vg0 by Molmil
Rv1086 citronellyl pyrophosphate complex
分子名称: GERANYL DIPHOSPHATE, GLYCEROL, SHORT-CHAIN Z-ISOPRENYL DIPHOSPHATE SYNTHETASE
著者Naismith, J.H, Wang, W, Dong, C.
登録日2007-11-07
公開日2007-11-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structural basis of chain length control in Rv1086.
J. Mol. Biol., 381, 2008
2V81
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BU of 2v81 by Molmil
Native KDPGal structure
分子名称: 2-DEHYDRO-3-DEOXY-6-PHOSPHOGALACTONATE ALDOLASE
著者Naismith, J.H.
登録日2007-08-02
公開日2007-08-14
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Characterization and crystal structure of Escherichia coli KDPGal aldolase.
Bioorg. Med. Chem., 16, 2008
2VG2
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BU of 2vg2 by Molmil
Rv2361 with IPP
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, DIPHOSPHATE, ...
著者Naismith, J.H, Wang, W, Dong, C.
登録日2007-11-07
公開日2007-11-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The structural basis of chain length control in Rv1086.
J. Mol. Biol., 381, 2008
2VG3
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Rv2361 with citronellyl pyrophosphate
分子名称: CHLORIDE ION, GERANYL DIPHOSPHATE, GLYCEROL, ...
著者Naismith, J.H, Wang, W, Dong, C.
登録日2007-11-08
公開日2008-05-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structural basis of chain length control in Rv1086.
J. Mol. Biol., 381, 2008

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