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4QD9
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BU of 4qd9 by Molmil
Crystal structure of Thioesterase PA1618 from Pseudomonas aeruginosa in complex with benzoyl-dO-CoA
Descriptor: Thioesterase PA1618, benzoyl-oxydephosphocoenzyme A
Authors:Ji, T, Allen, K.N, Dunaway-Mariano, D.
Deposit date:2014-05-13
Release date:2015-05-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.767 Å)
Cite:Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
4QDA
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BU of 4qda by Molmil
Crystal structure of mutant Thioesterase PA1618 (E64A) from Pseudomonas aeruginosa
Descriptor: Thioesterase PA1618
Authors:Ji, T, Allen, K.N, Dunaway-Mariano, D.
Deposit date:2014-05-13
Release date:2015-05-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.299 Å)
Cite: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
Descriptor: Thioesterase PA1618
Authors:Ji, T, Allen, K.N, Dunaway-Mariano, D.
Deposit date:2014-05-13
Release date:2015-05-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.023 Å)
Cite:Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
4QD7
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BU of 4qd7 by Molmil
Crystal structure of Thioesterase PA1618 from Pseudomonas aeruginosa
Descriptor: Thioesterase PA1618
Authors:Ji, T, Allen, K.N, Dunaway-Mariano, D.
Deposit date:2014-05-13
Release date:2015-05-13
Method:X-RAY DIFFRACTION (1.765 Å)
Cite: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
Descriptor: Thioesterase PA1618, phenacyl coenzyme A
Authors:Ji, T, Allen, K.N, Dunaway-Mariano, D.
Deposit date:2014-05-13
Release date:2015-05-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.616 Å)
Cite:Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
1U7O
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BU of 1u7o by Molmil
Magnesium Dependent Phosphatase 1 (MDP-1)
Descriptor: ACETATE ION, magnesium-dependent phosphatase-1
Authors:Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2004-08-04
Release date:2004-10-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: MAGNESIUM ION, TUNGSTATE(VI)ION, magnesium-dependent phosphatase-1
Authors:Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2004-08-04
Release date:2004-10-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily
Biochemistry, 43, 2004
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
Descriptor: ACETIC ACID, D,D-heptose 1,7-bisphosphate phosphatase, ZINC ION
Authors:Nguyen, H, Peisach, E, Allen, K.N.
Deposit date:2009-12-31
Release date:2010-02-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.64 Å)
Cite: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
Descriptor: D,D-heptose 1,7-bisphosphate phosphatase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Nguyen, H, Peisach, E, Allen, K.N.
Deposit date:2009-12-31
Release date:2010-02-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite: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
Descriptor: 1,7-di-O-phosphono-L-glycero-beta-D-manno-heptopyranose, D,D-heptose 1,7-bisphosphate phosphatase, MAGNESIUM ION, ...
Authors:Nguyen, H, Peisach, E, Allen, K.N.
Deposit date:2009-12-31
Release date:2010-02-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.18 Å)
Cite: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
Descriptor: FORMIC ACID, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Nguyen, H, Peisach, E, Allen, K.N.
Deposit date:2009-12-31
Release date:2010-02-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) .
Biochemistry, 49, 2010
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
6XCB
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BU of 6xcb by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 20
Descriptor: Botulinum neurotoxin type A, N-hydroxy-6-sulfanylhexanamide, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite: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
Descriptor: Botulinum neurotoxin type A, N-hydroxy-5-sulfanylpentanamide, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: (3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide, Botulinum neurotoxin type A
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
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
Descriptor: (3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide, Botulinum neurotoxin type A, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite: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
Descriptor: Botulinum neurotoxin type A, N-hydroxy-7-sulfanylheptanamide, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6CFS
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BU of 6cfs by Molmil
Structure of Human alpha-Phosphomannomutase 1 containing mutation M186Q
Descriptor: MAGNESIUM ION, Phosphomannomutase 1
Authors:Ji, T, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2018-02-17
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018
6CFV
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BU of 6cfv by Molmil
Structure of Human alpha-Phosphomannomutase 1 in complex with Inosine Monophosphate
Descriptor: INOSINIC ACID, MAGNESIUM ION, Phosphomannomutase 1
Authors:Ji, T, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2018-02-17
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.918 Å)
Cite:Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018
6CFT
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BU of 6cft by Molmil
Structure of Human alpha-Phosphomannomutase 1 containing mutations R180T and R183I
Descriptor: MAGNESIUM ION, Phosphomannomutase 1
Authors:Ji, T, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2018-02-17
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018
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
6CFR
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BU of 6cfr by Molmil
Structure of Human alpha-Phosphomannomutase 1 containing mutation R183I
Descriptor: MAGNESIUM ION, Phosphomannomutase 1
Authors:Ji, T, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2018-02-17
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018
6CFU
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Structure of Human alpha-Phosphomannomutase 1 containing mutations R180K and R183K
Descriptor: MAGNESIUM ION, Phosphomannomutase 1
Authors:Ji, T, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2018-02-17
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.244 Å)
Cite:Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018
3E81
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BU of 3e81 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
Descriptor: 1,2-ETHANEDIOL, Acylneuraminate cytidylyltransferase, DI(HYDROXYETHYL)ETHER, ...
Authors:Lu, Z, Wang, L, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2008-08-19
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.629 Å)
Cite: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

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PDB entries from 2024-09-18

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