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PDB: 203 results

4UAM
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BU of 4uam by Molmil
1.8 Angstrom crystal structure of IMP-1 metallo-beta-lactamase with a mixed iron-zinc center in the active site
Descriptor: CITRATE ANION, FE (III) ION, IMP-1 metallo-beta-lactamase, ...
Authors:Carruthers, T.J, Carr, P.D, Jackson, C.J, Otting, G.
Deposit date:2014-08-11
Release date:2014-09-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Iron(III) Located in the Dinuclear Metallo-beta-Lactamase IMP-1 by Pseudocontact Shifts.
Angew.Chem.Int.Ed.Engl., 53, 2014
7LL3
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BU of 7ll3 by Molmil
S-adenosylmethionine synthetase co-crystallized with UppNHp
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine, ...
Authors:Tan, L.L, Jackson, C.J.
Deposit date:2021-02-03
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
7LOW
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BU of 7low by Molmil
S-adenosylmethionine synthetase
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Tan, L.L, Jackson, C.J.
Deposit date:2021-02-10
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
7LOZ
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BU of 7loz by Molmil
S-adenosylmethionine synthetase
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Tan, L.L, Jackson, C.J.
Deposit date:2021-02-11
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
7LNN
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BU of 7lnn by Molmil
E. coli S-adenosyl methionine transferase co-crystallized with guanosine-5'-imidotriphosphate
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Tan, L.L, Jackson, C.J.
Deposit date:2021-02-08
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
5BNC
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BU of 5bnc by Molmil
Structure of heme binding protein MSMEG_6519 from Mycobacterium smegmatis
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, NICKEL (II) ION, ...
Authors:Ahmed, F.H, Carr, P.D, Jackson, C.J.
Deposit date:2015-05-26
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Sequence-Structure-Function Classification of a Catalytically Diverse Oxidoreductase Superfamily in Mycobacteria.
J.Mol.Biol., 427, 2015
5IVK
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BU of 5ivk by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: phosphorylated-enzyme ensemble refinement
Descriptor: Carboxylic ester hydrolase, DIETHYL HYDROGEN PHOSPHATE
Authors:Correy, G.J, Jackson, C.J.
Deposit date:2016-03-21
Release date:2016-06-22
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
4WGX
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BU of 4wgx by Molmil
Crystal Structure of Molinate Hydrolase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, COBALT (II) ION, Molinate hydrolase
Authors:Sugrue, E, Carr, P.D, Fraser, N.J, Hopkins, D.H, Jackson, C.J.
Deposit date:2014-09-19
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Evolutionary Expansion of the Amidohydrolase Superfamily in Bacteria in Response to the Synthetic Compounds Molinate and Diuron.
Appl.Environ.Microbiol., 81, 2015
6C2C
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BU of 6c2c by Molmil
The molecular basis for the functional evolution of an organophosphate hydrolysing enzyme
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ZINC ION, ...
Authors:Hong, N.-S, Jackson, C.J, Carr, P.D, Tokuriki, N, Baier, F, Yang, G.
Deposit date:2018-01-08
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.597 Å)
Cite:Higher-order epistasis shapes the fitness landscape of a xenobiotic-degrading enzyme.
Nat.Chem.Biol., 15, 2019
5HMF
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BU of 5hmf by Molmil
Crystal structure of triazine hydrolase variant (P214T/Y215H/E241Q)
Descriptor: Triazine hydrolase, ZINC ION
Authors:Sugrue, E, Carr, P.D, Jackson, C.J.
Deposit date:2016-01-16
Release date:2016-11-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Active Site Desolvation and Thermostability Trade-Offs in the Evolution of Catalytically Diverse Triazine Hydrolases.
Biochemistry, 55, 2016
5HMD
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BU of 5hmd by Molmil
Crystal structure of triazine hydrolase variant (Y215H/E241Q)
Descriptor: Triazine hydrolase, ZINC ION
Authors:Sugrue, E, Carr, P.D, Jackson, C.J.
Deposit date:2016-01-16
Release date:2016-11-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Active Site Desolvation and Thermostability Trade-Offs in the Evolution of Catalytically Diverse Triazine Hydrolases.
Biochemistry, 55, 2016
4YBN
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BU of 4ybn by Molmil
Structure of the FAD and Heme binding protein msmeg_4975 from Mycobacterium smegmatis
Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-nucleotide-binding protein, ...
Authors:Ahmed, F.H, Carr, P.D, Jackson, C.J.
Deposit date:2015-02-18
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sequence-Structure-Function Classification of a Catalytically Diverse Oxidoreductase Superfamily in Mycobacteria.
J.Mol.Biol., 427, 2015
5HME
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BU of 5hme by Molmil
Crystal structure of Triazine Hydrolase variant (P214T/Y215H)
Descriptor: Triazine hydrolase, ZINC ION
Authors:Sugrue, E, Carr, P.D, Jackson, C.J.
Deposit date:2016-01-16
Release date:2016-11-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Active Site Desolvation and Thermostability Trade-Offs in the Evolution of Catalytically Diverse Triazine Hydrolases.
Biochemistry, 55, 2016
7K7U
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BU of 7k7u by Molmil
BetaB2-crystallin
Descriptor: Beta-crystallin B2
Authors:Tan, L.L, Jackson, C.J.
Deposit date:2020-09-24
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:BetaB2-crystallin
To Be Published
5W1U
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BU of 5w1u by Molmil
Culex quinquefasciatus carboxylesterase B2
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carboxylic ester hydrolase, MALONATE ION
Authors:Hopkins, D.H, Jackson, C.J.
Deposit date:2017-06-04
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of an Insecticide Sequestering Carboxylesterase from the Disease Vector Culex quinquefasciatus: What Makes an Enzyme a Good Insecticide Sponge?
Biochemistry, 56, 2017
5W7H
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BU of 5w7h by Molmil
Supercharged arPTE variant R5
Descriptor: Phosphotriesterase, ZINC ION
Authors:Campbell, E, Grant, J, Wang, Y, Sandhu, M, Williams, R.J, Nisbet, D.R, Perriman, A, Lupton, D, Jackson, C.J.
Deposit date:2017-06-19
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Hydrogel-Immobilized Supercharged Proteins
Adv Biosyst, 2018
5C8V
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BU of 5c8v by Molmil
Lucilia cuprina alpha esterase 7: Gly137Asp
Descriptor: Carboxylic ester hydrolase
Authors:Correy, G.J, Mabbitt, P.D, Jackson, C.J.
Deposit date:2015-06-26
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Conformational Disorganization within the Active Site of a Recently Evolved Organophosphate Hydrolase Limits Its Catalytic Efficiency.
Biochemistry, 55, 2016
5CH3
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BU of 5ch3 by Molmil
E3 alpha-esterase-7 carboxylesterase
Descriptor: Carboxylic ester hydrolase
Authors:Correy, G, Mabbitt, P, Jackson, C.J.
Deposit date:2015-07-10
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
7KW3
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BU of 7kw3 by Molmil
Non Ribosomal PCP domain
Descriptor: PCP domain, SULFATE ION
Authors:Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J.
Deposit date:2020-11-29
Release date:2021-03-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity.
Nat Commun, 12, 2021
5THM
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BU of 5thm by Molmil
Esterase-6 from Drosophila melanogaster
Descriptor: Esterase-6, N,N-dimethylboranamine
Authors:Fraser, N.J, Jackson, C.J.
Deposit date:2016-09-29
Release date:2017-03-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Molecular basis for the behavioral effects of the odorant degrading enzyme Esterase 6 in Drosophila.
Sci Rep, 7, 2017
5EH9
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BU of 5eh9 by Molmil
Indirect contributions of mutations underlie optimization of new enzyme function
Descriptor: 2-HYDROXYETHYL DISULFIDE, GLYCEROL, N-acyl homoserine lactonase AiiA, ...
Authors:Hong, N.-S, Jackson, C.J, Tokuriki, N, Yang, G, Baier, F.
Deposit date:2015-10-28
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Conformational Tinkering Drives Evolution of a Promiscuous Activity through Indirect Mutational Effects.
Biochemistry, 55, 2016
5DQ6
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BU of 5dq6 by Molmil
Mus musculus A20 OTU domain
Descriptor: Tumor necrosis factor alpha-induced protein 3
Authors:Mabbitt, P.D, Jackson, C.J.
Deposit date:2015-09-14
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mus musculus A20 OTU domain
To Be Published
5TYP
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BU of 5typ by Molmil
alpha-esterase-7 in complex with (3-bromo-4-methylphenyl)boronic acid
Descriptor: (3-bromo-4-methylphenyl)boronic acid, Carboxylic ester hydrolase
Authors:Correy, G.J, Jackson, C.J.
Deposit date:2016-11-21
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Overcoming insecticide resistance through computational inhibitor design.
Proc.Natl.Acad.Sci.USA, 116, 2019
5TYK
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BU of 5tyk by Molmil
alpha-esterase-7 in complex with 3-chloro-4-[(2-fluorophenyl)methoxy]phenylborinic acid
Descriptor: Carboxylic ester hydrolase, {3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid
Authors:Correy, G.J, Jackson, C.J.
Deposit date:2016-11-21
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Overcoming insecticide resistance through computational inhibitor design.
Proc.Natl.Acad.Sci.USA, 116, 2019
5TUJ
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BU of 5tuj by Molmil
Ancestral Cationic Amino Acid Solute Binding Protein (AncCDT-1)
Descriptor: Ancestral protein CDT-Anc1
Authors:Kaczmarski, J.A, Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:2016-11-06
Release date:2017-12-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.352 Å)
Cite:Evolution of cyclohexadienyl dehydratase from an ancestral solute-binding protein.
Nat. Chem. Biol., 14, 2018

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