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6XCF
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BU of 6xcf by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with noncovalent inhibitor 59
分子名称: (3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide, Botulinum neurotoxin type A, ZINC ION
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCB
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Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 20
分子名称: Botulinum neurotoxin type A, N-hydroxy-6-sulfanylhexanamide, ZINC ION
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCC
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BU of 6xcc by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 21
分子名称: Botulinum neurotoxin type A, N-hydroxy-5-sulfanylpentanamide, ZINC ION
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCE
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BU of 6xce by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 53
分子名称: (3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide, Botulinum neurotoxin type A
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCD
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BU of 6xcd by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 22
分子名称: Botulinum neurotoxin type A, N-hydroxy-7-sulfanylheptanamide, ZINC ION
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2021-06-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
1LVH
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BU of 1lvh by Molmil
The Structure of Phosphorylated beta-phosphoglucomutase from Lactoccocus lactis to 2.3 angstrom resolution
分子名称: MAGNESIUM ION, beta-phosphoglucomutase
著者Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N.
登録日2002-05-28
公開日2002-08-14
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Caught in the act: the structure of phosphorylated beta-phosphoglucomutase from Lactococcus lactis.
Biochemistry, 41, 2002
6P2D
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BU of 6p2d by Molmil
Structure of mouse ketohexokinase-C in complex with fructose and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Ketohexokinase, beta-D-fructofuranose
著者Gasper, W.C, Allen, K.N, Tolan, D.R.
登録日2019-05-21
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.794 Å)
主引用文献First Crystal Structure of Mouse Ketohexokinase-C (KHK-C) Confirms Structural Similarity to Human KHK-C and Suggests Alternate Confirmation May Be Linked to Catalysis
To be published
1U7O
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BU of 1u7o by Molmil
Magnesium Dependent Phosphatase 1 (MDP-1)
分子名称: ACETATE ION, magnesium-dependent phosphatase-1
著者Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2004-08-04
公開日2004-10-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray crystal structure of the hypothetical phosphotyrosine phosphatase MDP-1 of the haloacid dehalogenase superfamily
Biochemistry, 43, 2004
1U7P
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BU of 1u7p by Molmil
X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily
分子名称: MAGNESIUM ION, TUNGSTATE(VI)ION, magnesium-dependent phosphatase-1
著者Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2004-08-04
公開日2004-10-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily
Biochemistry, 43, 2004
3E84
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Structure-function Analysis of 2-Keto-3-deoxy-D-glycero-D-galacto-nononate-9-phosphate (KDN) Phosphatase Defines a New Clad Within the Type C0 HAD Subfamily
分子名称: 1,2-ETHANEDIOL, Acylneuraminate cytidylyltransferase, DI(HYDROXYETHYL)ETHER, ...
著者Lu, Z, Wang, L, Dunaway-Mariano, D, Allen, K.N.
登録日2008-08-19
公開日2008-11-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Function Analysis of 2-Keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate Phosphatase Defines Specificity Elements in Type C0 Haloalkanoate Dehalogenase Family Members.
J.Biol.Chem., 284, 2009
3E81
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Structure-function Analysis of 2-Keto-3-deoxy-D-glycero-D-galacto-nononate-9-phosphate (KDN) Phosphatase Defines a New Clad Within the Type C0 HAD Subfamily
分子名称: 1,2-ETHANEDIOL, Acylneuraminate cytidylyltransferase, DI(HYDROXYETHYL)ETHER, ...
著者Lu, Z, Wang, L, Dunaway-Mariano, D, Allen, K.N.
登録日2008-08-19
公開日2008-11-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.629 Å)
主引用文献Structure-Function Analysis of 2-Keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate Phosphatase Defines Specificity Elements in Type C0 Haloalkanoate Dehalogenase Family Members.
J.Biol.Chem., 284, 2009
3E8M
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BU of 3e8m by Molmil
Structure-function Analysis of 2-Keto-3-deoxy-D-glycero-D-galacto-nononate-9-phosphate (KDN) Phosphatase Defines a New Clad Within the Type C0 HAD Subfamily
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Acylneuraminate cytidylyltransferase, ...
著者Lu, Z, Wang, L, Dunaway-Mariano, D, Allen, K.N.
登録日2008-08-20
公開日2008-11-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure-Function Analysis of 2-Keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate Phosphatase Defines Specificity Elements in Type C0 Haloalkanoate Dehalogenase Family Members.
J.Biol.Chem., 284, 2009
3LTQ
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BU of 3ltq by Molmil
Structure of Interleukin 1B solved by SAD using an inserted Lanthanide Binding Tag
分子名称: ACETATE ION, Interleukin-1 beta, SULFATE ION, ...
著者Peisach, E, Allen, K.N.
登録日2010-02-16
公開日2011-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Engineering encodable lanthanide-binding tags into loop regions of proteins.
J.Am.Chem.Soc., 133, 2011
2IMA
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BU of 2ima by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by 2,4-dichlorocinnamic hydroxamate
分子名称: (2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, ZINC ION
著者Silvaggi, N.R, Allen, K.N.
登録日2006-10-04
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2OJR
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BU of 2ojr by Molmil
Structure of ubiquitin solved by SAD using the Lanthanide-Binding Tag
分子名称: TERBIUM(III) ION, Ubiquitin
著者Silvaggi, N.R, Allen, K.N.
登録日2007-01-13
公開日2007-06-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Double-Lanthanide-Binding Tags for Macromolecular Crystallographic Structure Determination.
J.Am.Chem.Soc., 129, 2007
4JB3
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BU of 4jb3 by Molmil
Crystal structure of BT_0970, a had family phosphatase from bacteroides thetaiotaomicron VPI-5482, TARGET EFI-501083, with bound sodium and glycerol, closed lid, ordered loop
分子名称: GLYCEROL, Haloacid dehalogenase-like hydrolase, SODIUM ION
著者Vetting, M.W, Toro, R, Bhosle, R, Kumar, P.R, Ghosh, A, Al Obaidi, N.F, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-02-19
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of bt_0970, a had family phosphatase from bacteroides thetaiotaomicron VPI-5482, TARGET EFI-501083, with bound sodium and glycerol, closed lid, ordered loop
To be Published
4JDP
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BU of 4jdp by Molmil
Crystal structure of probable p-nitrophenyl phosphatase (pho2) (target EFI-501307) from Archaeoglobus fulgidus DSM 4304 with Magnesium bound
分子名称: CHLORIDE ION, MAGNESIUM ION, p-nitrophenyl phosphatase (Pho2)
著者Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Allen, K.N, Dunaway-Mariano, D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-02-25
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of probable p-nitrophenyl phosphatase from Archaeoglobus fulgidus.
To be Published
4K4A
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BU of 4k4a by Molmil
X-ray crystal structure of E. coli YdiI complexed with phenacyl-CoA
分子名称: Esterase YdiI, phenacyl coenzyme A
著者Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2013-04-12
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
4K4D
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BU of 4k4d by Molmil
X-ray crystal structure of E. coli YbdB complexed with 2,4-dihydroxyphenacyl-CoA
分子名称: 2,4-dihydroxyphenacyl coenzyme A, ACETATE ION, MALONATE ION, ...
著者Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2013-04-12
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
4K4B
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X-ray crystal structure of E. coli YdiI complexed with undeca-2-one-CoA
分子名称: CHLORIDE ION, Esterase YdiI, undeca-2-one coenzyme A
著者Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2013-04-12
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
4K4C
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BU of 4k4c by Molmil
X-ray crystal structure of E. coli YbdB complexed with phenacyl-CoA
分子名称: Proofreading thioesterase EntH, phenacyl coenzyme A
著者Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2013-04-12
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
4K49
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BU of 4k49 by Molmil
X-ray crystal structure of E. coli YdiI complexed with 2,4-dihydroxyphenacyl CoA
分子名称: 2,4-dihydroxyphenacyl coenzyme A, Esterase YdiI
著者Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2013-04-12
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
4MET
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BU of 4met by Molmil
Assigning the EPR Fine Structure Parameters of the Mn(II) Centers in Bacillus subtilis Oxalate Decarboxylase by Site-Directed Mutagenesis and DFT/MM Calculations
分子名称: COBALT (II) ION, Oxalate decarboxylase OxdC
著者Campomanes, P, Kellett, W.F, Easthon, L.M, Ozarowski, A, Allen, K.N, Angerhofer, A, Rothlisberger, U, Richards, N.G.J.
登録日2013-08-27
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Assigning the EPR Fine Structure Parameters of the Mn(II) Centers in Bacillus subtilis Oxalate Decarboxylase by Site-Directed Mutagenesis and DFT/MM Calculations.
J.Am.Chem.Soc., 136, 2014
4NEM
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BU of 4nem by Molmil
Small molecular fragment bound to crystal contact interface of Interleukin-2
分子名称: 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylic acid, Interleukin-2
著者Jehle, S, Brenke, R, Vajda, S, Allen, K.N, Kozakov, D.
登録日2013-10-29
公開日2014-11-19
実験手法X-RAY DIFFRACTION (1.934 Å)
主引用文献Small molecular fragments bound to binding energy hot-spot in crystal contact interface of Interleukin-2
To be Published
4NEJ
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BU of 4nej by Molmil
Small molecular fragment bound to crystal contact interface of Interleukin-2
分子名称: 5-methylfuran-2-carboxylic acid, Interleukin-2
著者Brenke, R, Jehle, S, Vajda, S, Allen, K.N, Kozakov, D.
登録日2013-10-29
公開日2014-11-19
実験手法X-RAY DIFFRACTION (1.919 Å)
主引用文献Small molecular fragments bound to binding energy hot-spot in crystal contact interface of Interleukin-2
To be Published

220113

件を2024-05-22に公開中

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