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4K4B
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BU of 4k4b by Molmil
X-ray crystal structure of E. coli YdiI complexed with undeca-2-one-CoA
Descriptor: CHLORIDE ION, Esterase YdiI, undeca-2-one coenzyme A
Authors:Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2013-04-12
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
3LTQ
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BU of 3ltq by Molmil
Structure of Interleukin 1B solved by SAD using an inserted Lanthanide Binding Tag
Descriptor: ACETATE ION, Interleukin-1 beta, SULFATE ION, ...
Authors:Peisach, E, Allen, K.N.
Deposit date:2010-02-16
Release date:2011-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Engineering encodable lanthanide-binding tags into loop regions of proteins.
J.Am.Chem.Soc., 133, 2011
1SNA
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BU of 1sna by Molmil
An Oligomeric Domain-Swapped Beta-Beta-Alpha Mini-Protein
Descriptor: ISOPROPYL ALCOHOL, tetrameric beta-beta-alpha mini-protein
Authors:Ali, M.H, Peisach, E, Allen, K.N, Imperiali, B.
Deposit date:2004-03-10
Release date:2004-08-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: ISOPROPYL ALCOHOL, tetrameric beta-beta-alpha mini-protein
Authors:Ali, M.H, Peisach, E, Allen, K.N, Imperiali, B.
Deposit date:2004-03-10
Release date:2004-08-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray structure analysis of a designed oligomeric miniprotein reveals a discrete quaternary architecture.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1SWV
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BU of 1swv by Molmil
Crystal structure of the D12A mutant of phosphonoacetaldehyde hydrolase complexed with magnesium
Descriptor: MAGNESIUM ION, phosphonoacetaldehyde hydrolase
Authors:Zhang, G, Morais, M.C, Dai, J, Zhang, W, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2004-03-30
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Investigation of metal ion binding in phosphonoacetaldehyde hydrolase identifies sequence markers for metal-activated enzymes of the HAD enzyme superfamily
Biochemistry, 43, 2004
1TJB
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BU of 1tjb by Molmil
Crystal Structure of a High Affinity Lanthanide-Binding Peptide (LBT)
Descriptor: CHLORIDE ION, Lanthanide-Binding Peptide, TERBIUM(III) ION
Authors:Nitz, M, Sherawat, M, Franz, K.J, Peisach, E, Allen, K.N, Imperiali, B.
Deposit date:2004-06-03
Release date:2004-08-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: MAGNESIUM ION, PHOSPHONOACETALDEHYDE, phosphonoacetaldehyde hydrolase
Authors:Zhang, G, Morais, M.C, Dai, J, Zhang, W, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2004-03-30
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: (DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, Creatine Kinase, ...
Authors:Lahiri, S.D, Wang, P.F, Babbitt, P.C, McLeish, M.J, Kenyon, G.L, Allen, K.N.
Deposit date:2005-04-25
Release date:2005-05-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
1XDM
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BU of 1xdm by Molmil
Structure of human aldolase B associated with hereditary fructose intolerance (A149P), at 291K
Descriptor: Fructose-bisphosphate aldolase B, SULFATE ION
Authors:Malay, A.D, Allen, K.N, Tolan, D.R.
Deposit date:2004-09-07
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the thermolabile mutant aldolase B, A149P: molecular basis of hereditary fructose intolerance.
J.Mol.Biol., 347, 2005
1XDL
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BU of 1xdl by Molmil
Structure of human aldolase B associated with hereditary fructose intolerance (A149P), at 277K
Descriptor: Fructose-bisphosphate aldolase B, SULFATE ION
Authors:Malay, A.D, Allen, K.N, Tolan, D.R.
Deposit date:2004-09-07
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the thermolabile mutant aldolase B, A149P: molecular basis of hereditary fructose intolerance.
J.Mol.Biol., 347, 2005
1XFB
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BU of 1xfb by Molmil
Human Brain Fructose 1,6-(bis)phosphate Aldolase (C isozyme)
Descriptor: Aldolase C
Authors:Arakaki, T.L, Pezza, J.A, Cronin, M.A, Hopkins, C.E, Zimmer, D.B, Tolan, D.R, Allen, K.N.
Deposit date:2004-09-14
Release date:2005-02-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of human brain fructose 1,6-(bis)phosphate aldolase: linking isozyme structure with function
Protein Sci., 13, 2004
1XOF
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BU of 1xof by Molmil
Heterooligomeric Beta Beta Alpha Miniprotein
Descriptor: BBAhetT1
Authors:Ali, M.H, Taylor, C.M, Grigoryan, G, Allen, K.N, Imperiali, B, Keating, A.E.
Deposit date:2004-10-06
Release date:2005-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design of a Heterospecific, Tetrameric, 21-Residue Miniprotein with Mixed alpha/beta Structure.
Structure, 13, 2005
1O03
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BU of 1o03 by Molmil
Structure of Pentavalent Phosphorous Intermediate of an Enzyme Catalyzed Phosphoryl transfer Reaction observed on cocrystallization with Glucose 6-phosphate
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, beta-phosphoglucomutase
Authors:Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2003-02-20
Release date:2003-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The pentacovalent phosphorus intermediate of a phosphoryl transfer reaction.
Science, 299, 2003
1O08
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BU of 1o08 by Molmil
Structure of Pentavalent Phosphorous Intermediate of an Enzyme Catalyzed Phosphoryl transfer Reaction observed on cocrystallization with Glucose 1-phosphate
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, beta-phosphoglucomutase
Authors:Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2003-02-20
Release date:2003-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The pentacovalent phosphorus intermediate of a phosphoryl transfer reaction.
Science, 299, 2003
1RQL
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BU of 1rql by Molmil
Crystal Structure of Phosponoacetaldehyde Hydrolase Complexed with Magnesium and the Inhibitor Vinyl Sulfonate
Descriptor: MAGNESIUM ION, Phosphonoacetaldehyde Hydrolase, VINYLSULPHONIC ACID
Authors:Morais, M.C, Zhang, G, Zhang, W, Olsen, D.B, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2003-12-05
Release date:2004-04-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray crystallographic and site-directed mutagenesis analysis of the mechanism of Schiff-base formation in phosphonoacetaldehyde hydrolase catalysis
J.Biol.Chem., 279, 2004
1RDF
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BU of 1rdf by Molmil
G50P mutant of phosphonoacetaldehyde hydrolase in complex with substrate analogue vinyl sulfonate
Descriptor: ETHANESULFONIC ACID, MAGNESIUM ION, phosphonoacetaldehyde hydrolase
Authors:Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2003-11-05
Release date:2004-08-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: MAGNESIUM ION, Phosphonoacetaldehyde Hydrolase
Authors:Morais, M.C, Zhang, G, Zhang, W, Olsen, D.B, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2003-12-05
Release date:2004-04-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray crystallographic and site-directed mutagenesis analysis of the mechanism of Schiff-base formation in phosphonoacetaldehyde hydrolase catalysis
J.Biol.Chem., 279, 2004
1SN9
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BU of 1sn9 by Molmil
An Oligomeric Domain-Swapped Beta-Beta-Alpha Mini-Protein
Descriptor: tetrameric beta-beta-alpha mini-protein
Authors:Ali, M.H, Peisach, E, Allen, K.N, Imperiali, B.
Deposit date:2004-03-10
Release date:2004-08-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:X-ray structure analysis of a designed oligomeric miniprotein reveals a discrete quaternary architecture
Proc.Natl.Acad.Sci.USA, 101, 2004
5TTJ
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BU of 5ttj by Molmil
Crystal Structure of Nicotine Oxidoreductase from Pseudomonas putida
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tararina, M.A, Janda, K.D, Allen, K.N.
Deposit date:2016-11-03
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tararina, M.A, Janda, K.D, Allen, K.N.
Deposit date:2016-11-03
Release date:2017-01-25
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Analysis Provides Mechanistic Insight into Nicotine Oxidoreductase from Pseudomonas putida.
Biochemistry, 55, 2016
5VGX
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BU of 5vgx by Molmil
Structure of the C. botulinum neurotoxin serotype A with Hg bound
Descriptor: ACETATE ION, Botulinum neurotoxin type A, MERCURY (II) ION
Authors:Carolan, J.P, Allen, K.N.
Deposit date:2017-04-11
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Metal Ions Effectively Ablate the Action of Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
5VGV
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BU of 5vgv by Molmil
Structure of the C. botulinum neurotoxin serotype A with Cu bound
Descriptor: ACETATE ION, Botulinum neurotoxin type A, COPPER (II) ION
Authors:Carolan, J.P, Allen, K.N.
Deposit date:2017-04-11
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Metal Ions Effectively Ablate the Action of Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
5WHL
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BU of 5whl by Molmil
Kelch domain of human Keap1 bound to inhibitory small molecule fragment: hydroxyphenyl propionic acid
Descriptor: HYDROXYPHENYL PROPIONIC ACID, Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Carolan, J.P, Lynch, A.J, Allen, K.N.
Deposit date:2017-07-17
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
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
Descriptor: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Carolan, J.P, Lynch, A.J, Allen, K.N.
Deposit date:2017-07-20
Release date:2018-09-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.23 Å)
Cite: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
5WH9
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BU of 5wh9 by Molmil
Structure of BH1999 gentisyl-coenzyme A thioesterase
Descriptor: 4-hydroxybenzoyl-CoA thioesterase
Authors:Finci, L.I, Allen, K.N.
Deposit date:2017-07-16
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of BH1999 gentisyl-coenzyme A thioesterase
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