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4K4A
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BU of 4k4a by Molmil
X-ray crystal structure of E. coli YdiI complexed with phenacyl-CoA
Descriptor: Esterase YdiI, phenacyl 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 (1.89 Å)
Cite: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
Descriptor: 2,4-dihydroxyphenacyl coenzyme A, ACETATE ION, MALONATE ION, ...
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 (2.17 Å)
Cite:Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
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
4K4C
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BU of 4k4c by Molmil
X-ray crystal structure of E. coli YbdB complexed with phenacyl-CoA
Descriptor: Proofreading thioesterase EntH, phenacyl 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 (1.85 Å)
Cite: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
Descriptor: 2,4-dihydroxyphenacyl coenzyme A, Esterase YdiI
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 (1.89 Å)
Cite: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
Descriptor: COBALT (II) ION, Oxalate decarboxylase OxdC
Authors:Campomanes, P, Kellett, W.F, Easthon, L.M, Ozarowski, A, Allen, K.N, Angerhofer, A, Rothlisberger, U, Richards, N.G.J.
Deposit date:2013-08-27
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.095 Å)
Cite: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
2ILP
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BU of 2ilp by Molmil
Clostridium botulinum Serotype A Light Chain inhibited by 4-chlorocinnamic hydroxamate
Descriptor: (2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, PHOSPHATE ION, ...
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-03
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2IMB
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BU of 2imb by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by L-arginine hydroxamate
Descriptor: Botulinum neurotoxin A light-chain, N-HYDROXY-L-ARGININAMIDE, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-04
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2IMC
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BU of 2imc by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain, Residues 1-424
Descriptor: Botulinum neurotoxin A light-chain, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-04
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2IMA
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BU of 2ima by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by 2,4-dichlorocinnamic hydroxamate
Descriptor: (2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-04
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2YBD
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BU of 2ybd by Molmil
Crystal structure of probable had family hydrolase from pseudomonas fluorescens pf-5 with bound phosphate
Descriptor: HYDROLASE, HALOACID DEHALOGENASE-LIKE FAMILY, MAGNESIUM ION, ...
Authors:Vetting, M.W, Patskovsky, Y, Toro, R, Freeman, J, Miller, S, Sauder, J.M, Burley, S.K, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C.
Deposit date:2011-03-03
Release date:2011-03-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Crystal Structure of Probable Had Family Hydrolase from Pseudomonas Fluorescens Pf-5 with Bound Phosphate
To be Published
3BH2
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BU of 3bh2 by Molmil
Structural Studies of Acetoacetate Decarboxylase
Descriptor: Acetoacetate decarboxylase
Authors:Ho, M, Allen, K.N.
Deposit date:2007-11-27
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The origin of the electrostatic perturbation in acetoacetate decarboxylase.
Nature, 459, 2009
3BGT
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BU of 3bgt by Molmil
Structural Studies of Acetoacetate Decarboxylase
Descriptor: Probable acetoacetate decarboxylase
Authors:Ho, M, Allen, K.N.
Deposit date:2007-11-27
Release date:2008-12-23
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The origin of the electrostatic perturbation in acetoacetate decarboxylase.
Nature, 459, 2009
3BH3
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BU of 3bh3 by Molmil
Crystal structure of acetoacetate decarboxylase from Chromobacterium violaceum in complex with acetyl acetone Schiff base intermediate
Descriptor: Acetoacetate decarboxylase, pentan-2-one
Authors:Ho, M, Allen, K.N.
Deposit date:2007-11-27
Release date:2008-12-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The origin of the electrostatic perturbation in acetoacetate decarboxylase.
Nature, 459, 2009
3BOK
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BU of 3bok by Molmil
Structure of the C. botulinum neurotoxin serotype A apo-enzyme
Descriptor: Neurotoxin A
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2007-12-17
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Catalytic features of the botulinum neurotoxin A light chain revealed by high resolution structure of an inhibitory peptide complex.
Biochemistry, 47, 2008
3BV4
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BU of 3bv4 by Molmil
Crystal structure of a rabbit muscle fructose-1,6-bisphosphate aldolase A dimer variant
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase A, SULFATE ION
Authors:Sherawat, M, Tolan, D.R, Allen, K.N.
Deposit date:2008-01-04
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a rabbit muscle fructose-1,6-bisphosphate aldolase A dimer variant.
Acta Crystallogr.,Sect.D, 64, 2008
3BON
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BU of 3bon by Molmil
Structure of the C. botulinum neurotoxin serotype A with Zn2+ cofactor bound
Descriptor: Neurotoxin A, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2007-12-17
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Catalytic features of the botulinum neurotoxin A light chain revealed by high resolution structure of an inhibitory peptide complex.
Biochemistry, 47, 2008
3BOO
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BU of 3boo by Molmil
Structure of the C. botulinum neurotoxin serotype A with an inhibitory peptide bound
Descriptor: N-Ac-CRATKML inhibitory peptide, Neurotoxin A, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2007-12-17
Release date:2008-05-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Catalytic features of the botulinum neurotoxin A light chain revealed by high resolution structure of an inhibitory peptide complex.
Biochemistry, 47, 2008
2OJR
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BU of 2ojr by Molmil
Structure of ubiquitin solved by SAD using the Lanthanide-Binding Tag
Descriptor: TERBIUM(III) ION, Ubiquitin
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2007-01-13
Release date:2007-06-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Double-Lanthanide-Binding Tags for Macromolecular Crystallographic Structure Determination.
J.Am.Chem.Soc., 129, 2007
2RB5
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BU of 2rb5 by Molmil
X-ray Crystallographic Structures Show Conservation of a Trigonal-Bipyramidal Intermediate in a Phosphoryl-transfer Superfamily.
Descriptor: MAGNESIUM ION, Putative uncharacterized protein, trioxido(oxo)tungsten
Authors:Lu, Z, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2007-09-18
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:The catalytic scaffold of the haloalkanoic acid dehalogenase enzyme superfamily acts as a mold for the trigonal bipyramidal transition state.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2RAV
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BU of 2rav by Molmil
X-ray Crystallographic Structures Show Conservation of a Trigonal-Bipyramidal Intermediate in a Phosphoryl-transfer Superfamily.
Descriptor: MAGNESIUM ION, Putative uncharacterized protein, trioxido(oxo)tungsten
Authors:Lu, Z, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2007-09-17
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:The catalytic scaffold of the haloalkanoic acid dehalogenase enzyme superfamily acts as a mold for the trigonal bipyramidal transition state.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2RAR
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BU of 2rar by Molmil
X-ray Crystallographic Structures Show Conservation of a Trigonal-Bipyramidal Intermediate in a Phosphoryl-transfer Superfamily.
Descriptor: MAGNESIUM ION, Putative uncharacterized protein, oxido(dioxo)vanadium
Authors:Lu, Z, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2007-09-17
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The catalytic scaffold of the haloalkanoic acid dehalogenase enzyme superfamily acts as a mold for the trigonal bipyramidal transition state.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2RBK
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BU of 2rbk by Molmil
X-ray Crystallographic Structures Show Conservation of a Trigonal-Bipyramidal Intermediate in a Phosphoryl-transfer Superfamily.
Descriptor: MAGNESIUM ION, Putative uncharacterized protein, oxido(dioxo)vanadium
Authors:Lu, Z, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2007-09-19
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1 Å)
Cite:The catalytic scaffold of the haloalkanoic acid dehalogenase enzyme superfamily acts as a mold for the trigonal bipyramidal transition state.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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

219869

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