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PDB: 186 results
5D2Y
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BU of 5d2y by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 7 Round 5
Descriptor: De novo designed kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 7 Round 5
To Be Published
5D2X
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BU of 5d2x by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 6 Round5
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, De novo desinged kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 Wild Type
To Be Published
5D2W
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BU of 5d2w by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 5 Wild Type
Descriptor: 5-nitro-2-oxidanyl-benzenecarbonitrile, De novo designed kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:evolutionary changes in Kemp Eliminase KE07 - Crystal 5 Wild Type
To Be Published
5D38
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BU of 5d38 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 17 round 7-2
Descriptor: De novo kemp eliminase KE07 round 7-2
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.427 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 17 round 7-2
To Be Published
5D32
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BU of 5d32 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 11 round 6
Descriptor: De novo kemp eliminase KE07 round 6
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 11 round 6
To Be Published
5D2T
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BU of 5d2t by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 3 Wild Type
Descriptor: 5-nitro-2-oxidanyl-benzenecarbonitrile, De novo designed kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 Wild Type
To Be Published
5D37
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BU of 5d37 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 16 round 7
Descriptor: De novo kemp eliminase KE07 round 7
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 16 round 7
To Be Published
5EHT
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BU of 5eht by Molmil
Indirect contributions of mutations underlie optimization of new enzyme function
Descriptor: GLYCEROL, N-acyl homoserine lactonase, ZINC ION
Authors:Jackson, C.J, Hong, N.-S.
Deposit date:2015-10-28
Release date:2016-09-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Conformational Tinkering Drives Evolution of a Promiscuous Activity through Indirect Mutational Effects.
Biochemistry, 55, 2016
5D30
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BU of 5d30 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 9 Round 5
Descriptor: De novo kemp eliminase KE07 round 5
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 9 Round 5
To Be Published
5D2V
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BU of 5d2v by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 4 Wild Type
Descriptor: De novo designed kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 Wild Type
To Be Published
5D33
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BU of 5d33 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 12 round 7
Descriptor: de novo kemp eliminase KE07 round 7
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 12 round 7
To Be Published
4E3T
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BU of 4e3t by Molmil
Round 18 Arylesterase Variant of Phosphotriesterase with Bound Transition State Analog
Descriptor: Phosphotriesterase, ZINC ION, hexyl(naphthalen-2-yloxy)phosphinic acid
Authors:Tokuriki, N, Jackson, C.J, Tawfik, D.S.
Deposit date:2012-03-10
Release date:2013-01-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme
Nat Commun, 3, 2012
2R1L
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BU of 2r1l by Molmil
OpdA from Agrobacterium radiobacter with bound diethyl thiophosphate from crystal soaking with the compound- 1.95 A
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, FE (II) ION, ...
Authors:Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G.
Deposit date:2007-08-23
Release date:2008-02-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase
J.Mol.Biol., 375, 2008
2R1N
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BU of 2r1n by Molmil
OpdA from Agrobacterium radiobacter with bound slow substrate diethyl 4-methoxyphenyl phosphate (20h)- 1.7 A
Descriptor: COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE, FE (II) ION, ...
Authors:Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G.
Deposit date:2007-08-23
Release date:2008-02-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase
J.Mol.Biol., 375, 2008
5JAB
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BU of 5jab by Molmil
Structure of the biliverdin reductase Rv2074 from Mycobacterium tuberculosis in complex with F420
Descriptor: Biliverdin reductase Rv2074, CHLORIDE ION, COENZYME F420-3
Authors:Ahmed, F.H, Carr, P.D, Jackson, C.J.
Deposit date:2016-04-12
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Rv2074 is a novel F420 H2 -dependent biliverdin reductase in Mycobacterium tuberculosis.
Protein Sci., 25, 2016
5IVH
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BU of 5ivh by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: apo-enzyme ensemble refinement
Descriptor: Carboxylic ester hydrolase
Authors:Correy, G.J, Jackson, C.J.
Deposit date:2016-03-20
Release date:2016-06-22
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
7R6O
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BU of 7r6o by Molmil
Pyrrolysyl-tRNA synthetase from methanogenic archaeon ISO4-G1 (G1PylRS)
Descriptor: 1,2-ETHANEDIOL, Pyrrolysyl-tRNA synthetase PylS, SULFATE ION
Authors:Frkic, R.L, Huber, T, Jackson, C.J.
Deposit date:2021-06-23
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Genetic Encoding of Cyanopyridylalanine for In-Cell Protein Macrocyclization by the Nitrile-Aminothiol Click Reaction.
Angew.Chem.Int.Ed.Engl., 61, 2022
7RNW
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BU of 7rnw by Molmil
SARS-CoV-2 Main Protease in complex with a cyclic peptide inhibitor
Descriptor: 3C-like proteinase, ACE-DTY-LEU-GLN-TYR-ALA-VAL-LEU-ARG-HIS-LYS-ARG-ARG-GLU-SEC
Authors:Frkic, R.L, Jackson, C.J.
Deposit date:2021-07-30
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Antiviral cyclic peptides targeting the main protease of SARS-CoV-2.
Chem Sci, 13, 2022
5IVD
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BU of 5ivd by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: apo-enzyme qFit multi-conformer model
Descriptor: Carboxylic ester hydrolase
Authors:Correy, G.J, Jackson, C.J.
Deposit date:2016-03-20
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
7N3J
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BU of 7n3j by Molmil
E. coli peptidyl-prolyl cis-trans isomerase, mutant Phe27CF3-Tyr/Phe98CF3-Tyr
Descriptor: Peptidyl-prolyl cis-trans isomerase B
Authors:Frkic, R.L, Otting, G, Jackson, C.J.
Deposit date:2021-06-01
Release date:2021-09-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Through-Space Scalar 19 F- 19 F Couplings between Fluorinated Noncanonical Amino Acids for the Detection of Specific Contacts in Proteins.
J.Am.Chem.Soc., 143, 2021
9C5D
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BU of 9c5d by Molmil
E. coli peptidyl-prolyl cis-trans isomerase containing (2S,3S)-4-Fluorovaline
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ACETATE ION, ...
Authors:Frkic, R.L, Jackson, C.J.
Deposit date:2024-06-06
Release date:2024-10-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:1.3 angstrom Crystal Structure of E. coli Peptidyl-Prolyl Isomerase B with Uniform Substitution of Valine by (2 S ,3 S )-4-Fluorovaline Reveals Structure Conservation and Multiple Staggered Rotamers of CH 2 F Groups.
Biochemistry, 63, 2024
7RG8
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BU of 7rg8 by Molmil
Crystal Structure of a Stable Heparanase Mutant
Descriptor: ACETATE ION, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit, ...
Authors:Whitefield, C, Hong, N.S, Jackson, C.J.
Deposit date:2021-07-14
Release date:2022-03-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Computational design and experimental characterisation of a stable human heparanase variant.
Rsc Chem Biol, 3, 2022
6FD8
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BU of 6fd8 by Molmil
Gamma-s crystallin dimer
Descriptor: Beta-crystallin S
Authors:Mabbitt, P.D, Thorn, D.C, Jackson, C.J, Carver, J.A.
Deposit date:2017-12-22
Release date:2018-12-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structure and Stability of the Disulfide-Linked gamma S-Crystallin Dimer Provide Insight into Oxidation Products Associated with Lens Cataract Formation.
J. Mol. Biol., 431, 2019
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
3C86
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BU of 3c86 by Molmil
OpdA from agrobacterium radiobacter with bound product diethyl thiophosphate from crystal soaking with tetraethyl dithiopyrophosphate- 1.8 A
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, FE (II) ION, ...
Authors:Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G.
Deposit date:2008-02-10
Release date:2008-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase
J.Mol.Biol., 375, 2008

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數據於2024-11-06公開中

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