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4AGZ
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BU of 4agz by Molmil
CRYSTAL STRUCTURE OF THE DB 985-D(CGCGAATTCGCG)2 COMPLEX AT 1.25 A RESOLUTION.
分子名称: 2-(4'-CARBAMIMIDOYL-2'-HYDROXYBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*GP)-3', MAGNESIUM ION
著者Munnur, D.G, Mitchell, E.P, Forsyth, V.T, Teixeira, S.C.M, Neidle, S.
登録日2012-02-02
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A Detailed Study of Water Network in the Minor Groove of D(Cgcgaattcgcg)2 and D(Cgcaaatttgcg)2 in Presence of Linear Groove Binders
To be Published
4AR6
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BU of 4ar6 by Molmil
X-ray crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin at 295 K (in quartz capillary) to 0.92 Angstroms resolution.
分子名称: FE (III) ION, RUBREDOXIN
著者Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
登録日2012-04-20
公開日2012-12-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.92 Å)
主引用文献Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation Equilibria and Hydronium Ions in Redox Changes
Angew.Chem.Int.Ed.Engl., 52, 2013
4AR4
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BU of 4ar4 by Molmil
Neutron crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin to 1.38 Angstrom resolution.
分子名称: FE (III) ION, Rubredoxin, deuterium(1+), ...
著者Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
登録日2012-04-20
公開日2013-01-16
最終更新日2024-06-19
実験手法NEUTRON DIFFRACTION (1.381 Å)
主引用文献Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation State Equilibria in Redox Changes.
Angew.Chem.Int.Ed.Engl., 52, 2013
4AR3
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BU of 4ar3 by Molmil
Near-atomic resolution neutron crystallography on the oxidised form perdeuterated Pyrococcus furiosus rubredoxin.
分子名称: FE (III) ION, Rubredoxin, deuterium(1+), ...
著者Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
登録日2012-04-20
公開日2013-01-16
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (1.05 Å)
主引用文献Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation State Equilibria in Redox Changes.
Angew.Chem.Int.Ed.Engl., 52, 2013
4AR5
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BU of 4ar5 by Molmil
X-ray crystallographic structure of the oxidised form perdeuterated Pyrococcus furiosus rubredoxin in D2O at 295K (in quartz capillary) to 1.00 Angstrom resolution.
分子名称: FE (III) ION, RUBREDOXIN
著者Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
登録日2012-04-20
公開日2012-12-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation Equilibria and Hydronium Ions in Redox Changes
Angew.Chem.Int.Ed.Engl., 52, 2013
4CE8
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BU of 4ce8 by Molmil
Perdeuterated Pseudomonas aeruginosa Lectin II complex with hydrogenated L-Fucose and Calcium
分子名称: CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, SULFATE ION, ...
著者Cuypers, M.G, Mitchell, E.P, Mossou, E, Pokorna, M, Wimmerova, M, Imberty, A, Moulin, M, Haertlein, M, Forsyth, V.T.
登録日2013-11-10
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L Fucose and Calcium
To be Published
5CM1
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BU of 5cm1 by Molmil
X-ray structure of perdeuterated TTR mutant - T119M at 1.22A
分子名称: Transthyretin
著者Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
登録日2015-07-16
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献X-ray structure of perdeuterated TTR mutant - T119M at 1.22A
To Be Published
5CLX
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BU of 5clx by Molmil
X-ray structure of perdeuterated TTR mutant - S52P at 1.28A resolution
分子名称: GLYCEROL, Transthyretin
著者Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
登録日2015-07-16
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献X-ray structure of perdeuterated TTR mutant - S52P at 1.28A resolution
To Be Published
5CLY
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BU of 5cly by Molmil
X-ray structure of TTR mutant - S52P at 1.23A resolution
分子名称: GLYCEROL, Transthyretin
著者Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
登録日2015-07-16
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献X-ray structure of TTR mutant - S52P at 1.23A resolution
To Be Published
5CLZ
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BU of 5clz by Molmil
X-ray structure of TTR mutant - T119M at 1.22A resolution
分子名称: Transthyretin
著者Yee, A.W, Moulin, M, Mossou, E, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T.
登録日2015-07-16
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献X-ray structure of TTR mutant - T119M at 1.22A resolution
To Be Published
5CN3
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BU of 5cn3 by Molmil
X-ray structure of wild-type TTR at 1.30A resolution
分子名称: Transthyretin
著者Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
登録日2015-07-17
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Impact of Deuteration on the Assembly Kinetics of Transthyretin Monitored by Native Mass Spectrometry and Implications for Amyloidoses.
Angew.Chem.Int.Ed.Engl., 55, 2016
5CNH
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BU of 5cnh by Molmil
X-ray structure of perdeuterated wild-type TTR at 1.42A resolution
分子名称: Transthyretin
著者Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
登録日2015-07-17
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Impact of Deuteration on the Assembly Kinetics of Transthyretin Monitored by Native Mass Spectrometry and Implications for Amyloidoses.
Angew.Chem.Int.Ed.Engl., 55, 2016
7PRG
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BU of 7prg by Molmil
Joint X-ray/neutron room temperature structure of perdeuterated LecB lectin in complex with perdeuterated fucose
分子名称: CALCIUM ION, Fucose-binding lectin, SULFATE ION, ...
著者Gajdos, L, Blakeley, M.P, Haertlein, M, Forsyth, T.V, Devos, J.M, Imberty, A.
登録日2021-09-21
公開日2022-01-12
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
主引用文献Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding.
Nat Commun, 13, 2022
7PSY
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BU of 7psy by Molmil
X-ray crystal structure of perdeuterated LecB lectin in complex with perdeuterated fucose
分子名称: CALCIUM ION, Fucose-binding lectin, SULFATE ION, ...
著者Gajdos, L, Blakeley, M.P, Haertlein, M, Forsyth, T.V, Devos, J.M, Imberty, A.
登録日2021-09-24
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding.
Nat Commun, 13, 2022
3QYS
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BU of 3qys by Molmil
Room Temperature X-ray Structure of D-Xylose Isomerase in complex with 0.6Ni2+ cation bound in M2 metal binding site at pH=5.8
分子名称: NICKEL (II) ION, Xylose isomerase
著者Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日2011-03-03
公開日2011-08-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of the Elusive Hydronium Ion Exchanging Roles with a Proton in an Enzyme at Lower pH Values.
Angew.Chem.Int.Ed.Engl., 50, 2011
3QZA
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BU of 3qza by Molmil
Joint neutron and X-ray structure of apo-D-Xylose Isomerase at pH=5.9
分子名称: Xylose isomerase, deuterium(1+)
著者Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日2011-03-04
公開日2011-08-17
最終更新日2023-09-13
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献Identification of the Elusive Hydronium Ion Exchanging Roles with a Proton in an Enzyme at Lower pH Values.
Angew.Chem.Int.Ed.Engl., 50, 2011
7BCW
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BU of 7bcw by Molmil
Structure of MsbA in Salipro with ADP vanadate
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent lipid A-core flippase, ...
著者Traore, D.A.K, Tidow, H.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of MsbA in saposin-lipid nanoparticles (Salipro) provides insights into nucleotide coordination.
Febs J., 289, 2022
4DUO
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BU of 4duo by Molmil
Room-temperature X-ray structure of D-Xylose Isomerase in complex with 2Mg2+ ions and xylitol at pH 7.7
分子名称: MAGNESIUM ION, Xylitol, Xylose isomerase
著者Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日2012-02-22
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of D-xylose isomerase by polyols: atomic details by joint X-ray/neutron crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
4DVO
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BU of 4dvo by Molmil
Room-temperature joint X-ray/neutron structure of D-xylose isomerase in complex with 2Ni2+ and per-deuterated D-sorbitol at pH 5.9
分子名称: NICKEL (II) ION, Xylose isomerase, sorbitol
著者Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日2012-02-23
公開日2012-08-29
最終更新日2024-02-28
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献Inhibition of D-xylose isomerase by polyols: atomic details by joint X-ray/neutron crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
7A8Y
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BU of 7a8y by Molmil
X-ray crystal structure of Aspartate alpha-decarboxylase in complex with D-Serine
分子名称: 1,2-ETHANEDIOL, Aspartate 1-decarboxylase, D-SERINE, ...
著者Yorke, B.A, Raskar, T.
登録日2020-08-31
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and diffusive dynamics of aspartate alpha-decarboxylase (ADC) liganded with D-serine in aqueous solution.
Phys Chem Chem Phys, 2022
8EYS
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BU of 8eys by Molmil
X-ray crystal structure of salmonella typhimurium Tryptophan synthase internal aldimine at pH 5.0
分子名称: Tryptophan synthase alpha chain, Tryptophan synthase beta chain
著者Drago, V.N, Kovalevsky, A.Y, Mueser, T.C.
登録日2022-10-28
公開日2024-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase.
Cell Rep Phys Sci, 5, 2024
8EZC
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BU of 8ezc by Molmil
X-ray crystal structure of salmonella typhimurium Tryptophan synthase internal aldimine
分子名称: SODIUM ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain
著者Drago, V.N, Mueser, T.C.
登録日2022-10-31
公開日2024-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase.
Cell Rep Phys Sci, 5, 2024
3KBS
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BU of 3kbs by Molmil
Room Temperature X-ray structure of D-Xylose Isomerase in complex with 2Cd(2+) co-factors
分子名称: CADMIUM ION, Xylose isomerase
著者Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日2009-10-20
公開日2010-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBV
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BU of 3kbv by Molmil
Room temperature structure of D-Xylose Isomerase in complex with 2Ni(2+) co-factors
分子名称: NICKEL (II) ION, Xylose isomerase
著者Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日2009-10-20
公開日2010-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBW
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BU of 3kbw by Molmil
Room temperature X-ray mixed-metal structure of D-Xylose Isomerase in complex with Ni(2+) and Mg(2+) co-factors
分子名称: MAGNESIUM ION, NICKEL (II) ION, Xylose isomerase
著者Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日2009-10-20
公開日2010-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010

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