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3Q4W
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BU of 3q4w by Molmil
The structure of archaeal inorganic pyrophosphatase in complex with substrate
分子名称: BROMIDE ION, CALCIUM ION, PYROPHOSPHATE 2-, ...
著者Hughes, R.C, Meehan, E.J, Coates, L, Ng, J.D.
登録日2010-12-24
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.441 Å)
主引用文献Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
4BD1
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BU of 4bd1 by Molmil
Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB)
分子名称: BENZO[B]THIOPHENE-2-BORONIC ACID, TOHO-1 BETA-LACTAMASE
著者Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L.
登録日2012-10-04
公開日2013-01-16
最終更新日2017-03-22
実験手法NEUTRON DIFFRACTION (2.002 Å)
主引用文献Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction.
J.Biol.Chem., 288, 2013
5ZII
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BU of 5zii by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II (Y88F)Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Zhang, X, Wan, Q.
登録日2018-03-15
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures of Endo-beta-1,4-xylanase II
to be published
5HNR
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BU of 5hnr by Molmil
The X-ray structure of octameric human native 5-aminolaevulinic acid dehydratase.
分子名称: DELTA-AMINO VALERIC ACID, Delta-aminolevulinic acid dehydratase, SULFATE ION, ...
著者Mills-Davies, N.L, Thompson, D, Shoolingin-Jordan, P.M, Erskine, P.T, Cooper, J.B.
登録日2016-01-18
公開日2016-01-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Structural studies of substrate and product complexes of 5-aminolaevulinic acid dehydratase from humans, Escherichia coli and the hyperthermophile Pyrobaculum calidifontis.
Acta Crystallogr D Struct Biol, 73, 2017
6EXY
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BU of 6exy by Molmil
Neutron crystal structure of perdeuterated galectin-3C in complex with glycerol
分子名称: GLYCEROL, Galectin-3
著者Manzoni, F, Schrader, T.E, Ostermann, A, Oksanen, E, Logan, D.T.
登録日2017-11-10
公開日2018-09-12
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION
主引用文献Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
J. Med. Chem., 61, 2018
6F2Q
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BU of 6f2q by Molmil
Neutron crystal structure of perdeuterated galectin-3C in the ligand-free form
分子名称: Galectin-3
著者Manzoni, F, Blakeley, M.P, Oksanen, E, Logan, D.T.
登録日2017-11-27
公開日2018-05-02
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.03 Å), X-RAY DIFFRACTION
主引用文献Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
J. Med. Chem., 61, 2018
8VJ0
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BU of 8vj0 by Molmil
Neutron Structure of Oxidized Trp161Phe MnSOD
分子名称: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
著者Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
登録日2024-01-05
公開日2024-07-31
最終更新日2024-10-16
実験手法NEUTRON DIFFRACTION (2.3 Å)
主引用文献Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
8VJ8
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BU of 8vj8 by Molmil
X-ray Counterpart to Neutron Structure of Reduced Trp161Phe MnSOD
分子名称: MANGANESE (II) ION, PHOSPHATE ION, POTASSIUM ION, ...
著者Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
登録日2024-01-05
公開日2024-07-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
8VJ4
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BU of 8vj4 by Molmil
X-ray Counterpart to the Neutron Structure of Peroxide-Soaked Trp161Phe MnSOD
分子名称: HYDROGEN PEROXIDE, MANGANESE (II) ION, Superoxide dismutase [Mn], ...
著者Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
登録日2024-01-05
公開日2024-07-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
8VJ5
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BU of 8vj5 by Molmil
Peroxide-Soaked MnSOD
分子名称: HYDROGEN PEROXIDE, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
登録日2024-01-05
公開日2024-07-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
6K9R
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BU of 6k9r by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Li, C, Wan, Q.
登録日2019-06-17
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
5NKV
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BU of 5nkv by Molmil
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 at pH 9.0 and 293 K.
分子名称: CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ...
著者Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
登録日2017-04-03
公開日2018-01-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
5NKU
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BU of 5nku by Molmil
Joint neutron/X-ray structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425
分子名称: CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ...
著者Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
登録日2017-04-03
公開日2018-02-28
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
5ZO0
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BU of 5zo0 by Molmil
Neutron structure of xylanase at pD5.4
分子名称: Endo-1,4-beta-xylanase 2
著者Wan, Q, Li, Z.H.
登録日2018-04-12
公開日2019-05-15
最終更新日2023-11-22
実験手法NEUTRON DIFFRACTION (1.648 Å)
主引用文献Neutron structure of xylanase at pD5.4
To be published
5ZKZ
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BU of 5zkz by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II(Y77F) Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION, ...
著者Zhang, X, Wan, Q.
登録日2018-03-26
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures of Endo-beta-1,4-xylanase II
to be published
5ZIW
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BU of 5ziw by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase(Y77F)
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION
著者Zhang, X, Wan, Q.
登録日2018-03-17
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures of Endo-beta-1,4-xylanase II
to be published
6UFE
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BU of 6ufe by Molmil
The structure of a potassium selective ion channel at atomic resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Transporter
著者Langan, P.S, Vandavasi, V.G, Sullivan, B, Afonine, P.V, Weiss, K.L.
登録日2019-09-24
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The structure of a potassium-selective ion channel reveals a hydrophobic gate regulating ion permeation.
Iucrj, 7, 2020
6U58
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BU of 6u58 by Molmil
Toho1 Beta Lactamase Glu166Gln Mutant
分子名称: Beta-lactamase, SULFATE ION
著者Langan, P.S, Sullivan, B, Weiss, K.L.
登録日2019-08-27
公開日2020-02-19
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
主引用文献Probing the Role of the Conserved Residue Glu166 in a Class A Beta-Lactamase Using Neutron and X-ray Protein Crystallography
Acta Crystallogr.,Sect.D, 76, 2020
5MAU
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BU of 5mau by Molmil
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 (pH 6.5)
分子名称: Chlorite dismutase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
登録日2016-11-04
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
6AQ6
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BU of 6aq6 by Molmil
X-ray crystal structure of Erythrina crista-galli lectin in complex with N-acetyllactosamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Gerlits, O, Woods, R.J.
登録日2017-08-18
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Defining the Specificity of Carbohydrate-Protein Interactions by Quantifying Functional Group Contributions.
J Chem Inf Model, 58, 2018
2GUB
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BU of 2gub by Molmil
Crystal Structure of Metal Free D-Xylose Isomerase.
分子名称: Xylose isomerase
著者Carrell, H.L, Katz, A.K, Glusker, J.P.
登録日2006-04-29
公開日2006-05-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Locating active-site hydrogen atoms in D-xylose isomerase: Time-of-flight neutron diffraction.
Proc.Natl.Acad.Sci.Usa, 103, 2006
5LZL
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BU of 5lzl by Molmil
Pyrobaculum calidifontis 5-aminolaevulinic acid dehydratase
分子名称: Delta-aminolevulinic acid dehydratase, ZINC ION
著者Azim, N, Erskine, P.T, Guo, J, Cooper, J.B.
登録日2016-09-30
公開日2016-10-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.47 Å)
主引用文献Structural studies of substrate and product complexes of 5-aminolaevulinic acid dehydratase from humans, Escherichia coli and the hyperthermophile Pyrobaculum calidifontis.
Acta Crystallogr D Struct Biol, 73, 2017
5K8Z
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BU of 5k8z by Molmil
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 (pH 8.5)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Chlorite dismutase, ...
著者Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
登録日2016-05-31
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
5MHB
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BU of 5mhb by Molmil
Product-Complex of E.coli 5-Amino Laevulinic Acid Dehydratase
分子名称: 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID, Delta-aminolevulinic acid dehydratase, GLYCEROL, ...
著者Norton, E, Erskine, P.T, Shoolingin-Jordan, P.M, Cooper, J.B.
登録日2016-11-23
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural studies of substrate and product complexes of 5-aminolaevulinic acid dehydratase from humans, Escherichia coli and the hyperthermophile Pyrobaculum calidifontis.
Acta Crystallogr D Struct Biol, 73, 2017
5K90
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Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 in complex with isothiocyanate
分子名称: Chlorite dismutase, GLYCEROL, MAGNESIUM ION, ...
著者Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
登録日2016-05-31
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017

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