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4OFZ
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BU of 4ofz by Molmil
Structure of unliganded trehalose-6-phosphate phosphatase from Brugia malayi
分子名称: MAGNESIUM ION, Trehalose-phosphatase
著者Farelli, J.D, Allen, K.N, Carlow, C.K.S, Dunaway-Mariano, D.
登録日2014-01-15
公開日2014-07-16
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the Trehalose-6-phosphate Phosphatase from Brugia malayi Reveals Key Design Principles for Anthelmintic Drugs.
Plos Pathog., 10, 2014
4QD9
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BU of 4qd9 by Molmil
Crystal structure of Thioesterase PA1618 from Pseudomonas aeruginosa in complex with benzoyl-dO-CoA
分子名称: Thioesterase PA1618, benzoyl-oxydephosphocoenzyme A
著者Ji, T, Allen, K.N, Dunaway-Mariano, D.
登録日2014-05-13
公開日2015-05-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.767 Å)
主引用文献Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
1RDF
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BU of 1rdf by Molmil
G50P mutant of phosphonoacetaldehyde hydrolase in complex with substrate analogue vinyl sulfonate
分子名称: ETHANESULFONIC ACID, MAGNESIUM ION, phosphonoacetaldehyde hydrolase
著者Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N.
登録日2003-11-05
公開日2004-08-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Analysis of the substrate specificity loop of the HAD superfamily cap domain
Biochemistry, 43, 2004
1RQN
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BU of 1rqn by Molmil
Phosphonoacetaldehyde hydrolase complexed with magnesium
分子名称: MAGNESIUM ION, Phosphonoacetaldehyde Hydrolase
著者Morais, M.C, Zhang, G, Zhang, W, Olsen, D.B, Dunaway-Mariano, D, Allen, K.N.
登録日2003-12-05
公開日2004-04-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray crystallographic and site-directed mutagenesis analysis of the mechanism of Schiff-base formation in phosphonoacetaldehyde hydrolase catalysis
J.Biol.Chem., 279, 2004
4QDA
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BU of 4qda by Molmil
Crystal structure of mutant Thioesterase PA1618 (E64A) from Pseudomonas aeruginosa
分子名称: Thioesterase PA1618
著者Ji, T, Allen, K.N, Dunaway-Mariano, D.
登録日2014-05-13
公開日2015-05-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
1SWV
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BU of 1swv by Molmil
Crystal structure of the D12A mutant of phosphonoacetaldehyde hydrolase complexed with magnesium
分子名称: MAGNESIUM ION, phosphonoacetaldehyde hydrolase
著者Zhang, G, Morais, M.C, Dai, J, Zhang, W, Dunaway-Mariano, D, Allen, K.N.
登録日2004-03-30
公開日2004-10-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Investigation of metal ion binding in phosphonoacetaldehyde hydrolase identifies sequence markers for metal-activated enzymes of the HAD enzyme superfamily
Biochemistry, 43, 2004
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
4QD7
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BU of 4qd7 by Molmil
Crystal structure of Thioesterase PA1618 from Pseudomonas aeruginosa
分子名称: Thioesterase PA1618
著者Ji, T, Allen, K.N, Dunaway-Mariano, D.
登録日2014-05-13
公開日2015-05-13
実験手法X-RAY DIFFRACTION (1.765 Å)
主引用文献Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
4QD8
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BU of 4qd8 by Molmil
Crystal structure of Thioesterase PA1618 from Pseudomonas aeruginosa in complex with phenacyl-CoA
分子名称: Thioesterase PA1618, phenacyl coenzyme A
著者Ji, T, Allen, K.N, Dunaway-Mariano, D.
登録日2014-05-13
公開日2015-05-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.616 Å)
主引用文献Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
4QDB
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BU of 4qdb by Molmil
Crystal structure of mutant Thioesterase PA1618 (Q49A) from Pseudomonas aeruginosa
分子名称: Thioesterase PA1618
著者Ji, T, Allen, K.N, Dunaway-Mariano, D.
登録日2014-05-13
公開日2015-05-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.023 Å)
主引用文献Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
1SN9
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BU of 1sn9 by Molmil
An Oligomeric Domain-Swapped Beta-Beta-Alpha Mini-Protein
分子名称: tetrameric beta-beta-alpha mini-protein
著者Ali, M.H, Peisach, E, Allen, K.N, Imperiali, B.
登録日2004-03-10
公開日2004-08-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献X-ray structure analysis of a designed oligomeric miniprotein reveals a discrete quaternary architecture
Proc.Natl.Acad.Sci.USA, 101, 2004
1SNA
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BU of 1sna by Molmil
An Oligomeric Domain-Swapped Beta-Beta-Alpha Mini-Protein
分子名称: ISOPROPYL ALCOHOL, tetrameric beta-beta-alpha mini-protein
著者Ali, M.H, Peisach, E, Allen, K.N, Imperiali, B.
登録日2004-03-10
公開日2004-08-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献X-ray structure analysis of a designed oligomeric miniprotein reveals a discrete quaternary architecture.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1SNE
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BU of 1sne by Molmil
An Oligomeric Domain-Swapped Beta-Beta-Alpha Mini-Protein
分子名称: ISOPROPYL ALCOHOL, tetrameric beta-beta-alpha mini-protein
著者Ali, M.H, Peisach, E, Allen, K.N, Imperiali, B.
登録日2004-03-10
公開日2004-08-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献X-ray structure analysis of a designed oligomeric miniprotein reveals a discrete quaternary architecture.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1TJB
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BU of 1tjb by Molmil
Crystal Structure of a High Affinity Lanthanide-Binding Peptide (LBT)
分子名称: CHLORIDE ION, Lanthanide-Binding Peptide, TERBIUM(III) ION
著者Nitz, M, Sherawat, M, Franz, K.J, Peisach, E, Allen, K.N, Imperiali, B.
登録日2004-06-03
公開日2004-08-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Origin of the High Affinity of a Chemically Evolved Lanthanide-Binding Peptide
Angew.Chem.Int.Ed.Engl., 43, 2004
1SWW
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BU of 1sww by Molmil
Crystal structure of the phosphonoacetaldehyde hydrolase D12A mutant complexed with magnesium and substrate phosphonoacetaldehyde
分子名称: MAGNESIUM ION, PHOSPHONOACETALDEHYDE, phosphonoacetaldehyde hydrolase
著者Zhang, G, Morais, M.C, Dai, J, Zhang, W, Dunaway-Mariano, D, Allen, K.N.
登録日2004-03-30
公開日2004-10-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Investigation of metal ion binding in phosphonoacetaldehyde hydrolase identifies sequence markers for metal-activated enzymes of the HAD enzyme superfamily
Biochemistry, 43, 2004
1VRP
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BU of 1vrp by Molmil
The 2.1 Structure of T. californica Creatine Kinase Complexed with the Transition-State Analogue Complex, ADP-Mg 2+ /NO3-/Creatine
分子名称: (DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, Creatine Kinase, ...
著者Lahiri, S.D, Wang, P.F, Babbitt, P.C, McLeish, M.J, Kenyon, G.L, Allen, K.N.
登録日2005-04-25
公開日2005-05-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The 2.1 A Structure of Torpedo californica Creatine Kinase Complexed with the ADP-Mg(2+)-NO3(-)-Creatine Transition-State Analogue Complex
Biochemistry, 41, 2002
3L8E
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BU of 3l8e by Molmil
Crystal Structure of apo form of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli
分子名称: ACETIC ACID, D,D-heptose 1,7-bisphosphate phosphatase, ZINC ION
著者Nguyen, H, Peisach, E, Allen, K.N.
登録日2009-12-31
公開日2010-02-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) .
Biochemistry, 49, 2010
3L8F
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BU of 3l8f by Molmil
Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli complexed with magnesium and phosphate
分子名称: D,D-heptose 1,7-bisphosphate phosphatase, MAGNESIUM ION, PHOSPHATE ION, ...
著者Nguyen, H, Peisach, E, Allen, K.N.
登録日2009-12-31
公開日2010-02-02
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) .
Biochemistry, 49, 2010
3L8G
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BU of 3l8g by Molmil
Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli complexed with D-glycero-D-manno-heptose 1 ,7-bisphosphate
分子名称: 1,7-di-O-phosphono-L-glycero-beta-D-manno-heptopyranose, D,D-heptose 1,7-bisphosphate phosphatase, MAGNESIUM ION, ...
著者Nguyen, H, Peisach, E, Allen, K.N.
登録日2009-12-31
公開日2010-02-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) .
Biochemistry, 49, 2010
3L8H
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BU of 3l8h by Molmil
Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from B. bronchiseptica complexed with magnesium and phosphate
分子名称: FORMIC ACID, MAGNESIUM ION, PHOSPHATE ION, ...
著者Nguyen, H, Peisach, E, Allen, K.N.
登録日2009-12-31
公開日2010-02-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) .
Biochemistry, 49, 2010
5TTJ
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BU of 5ttj by Molmil
Crystal Structure of Nicotine Oxidoreductase from Pseudomonas putida
分子名称: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Tararina, M.A, Janda, K.D, Allen, K.N.
登録日2016-11-03
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Analysis Provides Mechanistic Insight into Nicotine Oxidoreductase from Pseudomonas putida.
Biochemistry, 55, 2016
5TTK
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BU of 5ttk by Molmil
Crystal Structure of Selenomethionine-incorporated Nicotine Oxidoreductase from Pseudomonas putida
分子名称: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Tararina, M.A, Janda, K.D, Allen, K.N.
登録日2016-11-03
公開日2017-01-25
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural Analysis Provides Mechanistic Insight into Nicotine Oxidoreductase from Pseudomonas putida.
Biochemistry, 55, 2016
5VGV
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BU of 5vgv by Molmil
Structure of the C. botulinum neurotoxin serotype A with Cu bound
分子名称: ACETATE ION, Botulinum neurotoxin type A, COPPER (II) ION
著者Carolan, J.P, Allen, K.N.
登録日2017-04-11
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Metal Ions Effectively Ablate the Action of Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
5VGX
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Structure of the C. botulinum neurotoxin serotype A with Hg bound
分子名称: ACETATE ION, Botulinum neurotoxin type A, MERCURY (II) ION
著者Carolan, J.P, Allen, K.N.
登録日2017-04-11
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Metal Ions Effectively Ablate the Action of Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
5WIY
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BU of 5wiy by Molmil
Kelch domain of human Keap1 bound to small molecule inhibitor fragment: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione
分子名称: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, Kelch-like ECH-associated protein 1, SULFATE ION
著者Carolan, J.P, Lynch, A.J, Allen, K.N.
登録日2017-07-20
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020

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