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5LDT
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BU of 5ldt by Molmil
Crystal Structures of MOMP from Campylobacter jejuni
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CALCIUM ION, MOMP porin
著者Ferrara, L.G.M, Wallat, G.D, Moynie, L, Naismith, J.H.
登録日2016-06-27
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献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
5LQ4
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BU of 5lq4 by Molmil
The Structure of ThcOx, the First Oxidase Protein from the Cyanobactin Pathways
分子名称: CyaGox, FLAVIN MONONUCLEOTIDE
著者Bent, A.F, Wagner, A, Naismith, J.H.
登録日2016-08-16
公開日2016-11-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献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
5LMZ
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BU of 5lmz by Molmil
Fluorinase from Streptomyces sp. MA37
分子名称: 1-DEAZA-ADENOSINE, CHLORIDE ION, Fluorinase, ...
著者Mann, G, O'Hagan, D, Naismith, J.H, Bandaranayaka, N.
登録日2016-08-02
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Identification of fluorinases from Streptomyces sp MA37, Norcardia brasiliensis, and Actinoplanes sp N902-109 by genome mining.
Chembiochem, 15, 2014
5LDV
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BU of 5ldv by Molmil
Crystal Structures of MOMP from Campylobacter jejuni
分子名称: CALCIUM ION, MOMP porin, N-OCTANE, ...
著者Wallat, G.D, Ferrara, L.M.G, Moynie, L, Naismith, J.H.
登録日2016-06-28
公開日2016-10-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
3OHL
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BU of 3ohl by Molmil
catalytic domain of stromelysin-1 in complex with N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide
分子名称: CALCIUM ION, N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide, SULFATE ION, ...
著者Kowatz, T, Naismith, J.H.
登録日2010-08-17
公開日2011-06-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Non-Resonance Raman Difference Spectroscopy as a Tool to Probe Enthalpy-Entropy Compensation and the Interfacial Mobility Model
To be Published
3OHO
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BU of 3oho by Molmil
catalytic domain of stromelysin-1 in complex with N-Hydroxy-2-(4-methylphenylsulfonamido)acetamide
分子名称: CALCIUM ION, N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide, SULFATE ION, ...
著者Kowatz, T, Naismith, J.H.
登録日2010-08-17
公開日2011-06-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Non-Resonance Raman Difference Spectroscopy as a Tool to Probe Enthalpy-Entropy Compensation and the Interfacial Mobility Model
To be Published
5AIT
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BU of 5ait by Molmil
A complex of of RNF4-RING domain, UbeV2, Ubc13-Ub (isopeptide crosslink)
分子名称: E3 UBIQUITIN-PROTEIN LIGASE RNF4, POLYUBIQUITIN-C, UBIQUITIN-CONJUGATING ENZYME E2 N, ...
著者Branigan, E, Naismith, J.H.
登録日2015-02-17
公開日2015-07-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural Basis for the Ring Catalyzed Synthesis of K63 Linked Ubiquitin Chains
Nat.Struct.Mol.Biol., 22, 2015
5AIU
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BU of 5aiu by Molmil
A complex of RNF4-RING domain, Ubc13-Ub (isopeptide crosslink)
分子名称: 1,2-ETHANEDIOL, E3 UBIQUITIN-PROTEIN LIGASE RNF4, POLYUBIQUITIN-C, ...
著者Branigan, E, Naismith, J.H.
登録日2015-02-17
公開日2015-07-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural Basis for the Ring Catalyzed Synthesis of K63 Linked Ubiquitin Chains
Nat.Struct.Mol.Biol., 22, 2015
7NHR
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BU of 7nhr by Molmil
Putative transmembrane protein Wzc K540M C1
分子名称: Putative transmembrane protein Wzc
著者Liu, J.W, Yang, Y, Naismith, J.H.
登録日2021-02-11
公開日2021-08-25
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献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
分子名称: 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
著者Moynie, L, Naismith, J.H.
登録日2021-04-23
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.66 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., 8, 2022
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
分子名称: MAGNESIUM ION, dTDP-glucose oxidoreductase
著者Blankenfeldt, W, Kerr, I.D, Giraud, M.F, McMiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H.
登録日2001-11-07
公開日2002-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Blankenfeldt, W, Kerr, I.D, Giraud, M.F, McMiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H.
登録日2001-11-07
公開日2002-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
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
分子名称: MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
著者Blankenfeldt, W, Kerr, I.D, Giraud, M.F, McMiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H.
登録日2001-11-07
公開日2002-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: (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, ...
著者Moynie, L, Naismith, J.H.
登録日2018-12-07
公開日2019-01-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
分子名称: VirX1
著者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.
登録日2019-01-11
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A marine viral halogenase that iodinates diverse substrates.
Nat.Chem., 11, 2019
6R00
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BU of 6r00 by Molmil
OphA DeltaC6 V404F complex with SAH
分子名称: PHE-PRO-TRP-MVA-ILE-MVA-PHE-GLY-VAL-ILE-GLY-VAL-ILE-GLY, Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Song, H, Naismith, J.H.
登録日2019-03-12
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献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
分子名称: ASN-GLY-PHE-PRO-TRP-MVA-ILE-MVA-VAL-GLY-PRO-ILE-GLY, MAGNESIUM ION, Peptide N-methyltransferase, ...
著者Song, H, Naismith, J.H.
登録日2019-03-12
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献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
分子名称: Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Song, H, Naismith, J.H.
登録日2019-03-12
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
6R1F
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BU of 6r1f by Molmil
Crystal structure of the ferric enterobactin receptor mutant R480A from Pseudomonas aeruginosa (PfeA) in complex with enterobactin
分子名称: FE (III) ION, Ferric enterobactin receptor, N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)
著者Moynie, L, Naismith, J.H.
登録日2019-03-14
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
1N2S
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BU of 1n2s by Molmil
CRYSTAL STRUCTURE OF DTDP-6-DEOXY-L-LYXO-4-HEXULOSE REDUCTASE (RMLD) IN COMPLEX WITH NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
著者Blankenfeldt, W, Kerr, I.D, Giraud, M.F, Mcmiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H.
登録日2002-10-24
公開日2002-11-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Variation on a Theme of SDR. dTDP-6-Deoxy-L- lyxo-4-Hexulose Reductase (RmlD) Shows a New Mg(2+)-Dependent Dimerization Mode
Structure, 10, 2002
1WA3
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BU of 1wa3 by Molmil
Mechanism of the Class I KDPG aldolase
分子名称: 2-KETO-3-DEOXY-6-PHOSPHOGLUCONATE ALDOLASE, PYRUVIC ACID, SULFATE ION
著者Fullerton, S.W.B, Griffiths, J.S, Merkel, A.B, Wymer, N.J, Hutchins, M.J, Fierke, C.A, Toone, E.J, Naismith, J.H.
登録日2004-10-22
公開日2005-01-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanism of the Class I Kdpg Aldolase.
Bioorg.Med.Chem., 14, 2006
1WAU
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BU of 1wau by Molmil
Structure of KDPG Aldolase E45N mutant
分子名称: KHG/KDPG ALDOLASE, SULFATE ION
著者Merkel, A.B, Naismith, J.H.
登録日2004-10-28
公開日2006-01-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanism of the Class I Kdpg Aldolase.
Bioorg.Med.Chem., 14, 2006
1WBH
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BU of 1wbh by Molmil
Crystal structure of the E45N mutant from KDPG aldolase from Escherichia coli
分子名称: KHG/KDPG ALDOLASE, PHOSPHATE ION
著者Fullerton, S.W.B, Merkel, A.B, Naismith, J.H.
登録日2004-11-01
公開日2006-01-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mechanism of the Class I Kdpg Aldolase.
Bioorg.Med.Chem., 14, 2006
1WAM
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BU of 1wam by Molmil
Structure of UDP-galactopyranose mutase from Klebsiella Pneumoniae with FADH-
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, UDP-GALACTOPYRANOSE MUTASE
著者Beis, K, Srikannathasan, V, Naismith, J.H.
登録日2004-10-27
公開日2006-05-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal Structures of Mycobacteria Tuberculosis and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the Oxidised State and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the (Active) Reduced State.
J.Mol.Biol., 348, 2005
7Z1D
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BU of 7z1d by Molmil
Nanobody H11-H6 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, H11-H6 nanobody, ...
著者Mikolajek, H, Naismith, J.H.
登録日2022-02-24
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 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

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