4UBN
 
 | | KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 1.85 MGy TEMP 150K | | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 | | Authors: | Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G. | | Deposit date: | 2014-08-13 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
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4UBI
 | | KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 3.70 MGy at 100K | | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 | | Authors: | Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G. | | Deposit date: | 2014-08-13 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
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4UBL
 | | KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 9.26 MGy | | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 | | Authors: | Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G. | | Deposit date: | 2014-08-13 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
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6WTA
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5SZF
 | | 2A10 FAB fragment 2.54 Angstoms | | Descriptor: | 2A10 antibody FAB fragment heavy chain, 2A10 antibody FAB fragment light chain, SULFATE ION | | Authors: | Jackson, C.J, Fisher, C. | | Deposit date: | 2016-08-13 | | Release date: | 2017-07-26 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | T-dependent B cell responses to Plasmodium induce antibodies that form a high-avidity multivalent complex with the circumsporozoite protein.
PLoS Pathog., 13, 2017
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5EHT
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3F7E
 | | MSMEG_3380 F420 Reductase | | Descriptor: | Pyridoxamine 5'-phosphate oxidase-related, FMN-binding | | Authors: | Jackson, C.J. | | Deposit date: | 2008-11-08 | | Release date: | 2009-10-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Identification and characterisation of two novel classes of F420-dependent reductases from Mycobacterium that degrade aflatoxin
To be Published
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2ZOA
 | | Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) COLLECTED AT 1.280 ANGSTROM | | Descriptor: | FE (II) ION, MALONATE ION, Phosphohydrolase | | Authors: | Ollis, D.L, Jackson, C.J, Carr, P.D. | | Deposit date: | 2008-05-07 | | Release date: | 2008-10-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) and characterization of the native Fe2+ metal-ion preference.
Acta Crystallogr.,Sect.F, 64, 2008
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3WML
 | | Structure of phosphotriesterase mutant (S308L/Y309A) from Agrobacterium radiobacter | | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, FE (II) ION, ... | | Authors: | Jackson, C.J, Carr, P.D, Sugrue, E. | | Deposit date: | 2013-11-21 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | A 5000-fold increase in the specificity of a bacterial phosphotriesterase for malathion through combinatorial active site mutagenesis
Plos One, 9, 2014
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2R1L
 | | 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
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2R1N
 | | 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
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2R1P
 | | OpdA from Agrobacterium radiobacter with bound product diethyl thiophosphate from co-crystallisation 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: | 2007-08-23 | | Release date: | 2008-02-12 | | Last modified: | 2024-04-03 | | 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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2R1M
 | | OpdA from Agrobacterium radiobacter with bound product diethyl phosphate from crystal soaking with diethyl 4-methoxyphenyl phosphate (450h)- 2.5 A | | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, ... | | 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 (2.5 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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4GY0
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4GY1
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3A3W
 | | Structure of OpdA mutant (G60A/A80V/S92A/R118Q/K185R/Q206P/D208G/I260T/G273S) with diethyl 4-methoxyphenyl phosphate bound in the active site | | Descriptor: | COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE, Phosphotriesterase | | Authors: | Ollis, D.L, Tawfik, D.S, Schenk, G, Jackson, C.J, Foo, J.L, Tokuriki, N, Afriat, L, Carr, P.D, Kim, H.K. | | Deposit date: | 2009-06-23 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 2009
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3A3X
 | | Structure of OpdA mutant (G60A/A80V/R118Q/K185R/Q206P/D208G/I260T/G273S) | | Descriptor: | COBALT (II) ION, Phosphotriesterase | | Authors: | Ollis, D.L, Tawfik, D.S, Schenk, G, Jackson, C.J, Foo, J.L, Tokuriki, N, Afriat, L, Carr, P.D, Kim, H.K. | | Deposit date: | 2009-06-23 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 2009
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3C86
 | | 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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3A4J
 | | arPTE (K185R/D208G/N265D/T274N) | | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, Phosphotriesterase | | Authors: | Foo, J.L, Jackson, C.J, Carr, P.D, Ollis, D.L. | | Deposit date: | 2009-07-07 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 2009
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6DNJ
 | | Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 28 round 5 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-nitro-1,2-benzoxazole, Kemp eliminase KE07 | | Authors: | Jackson, C.J, Hong, N.-S, Carr, P.D. | | Deposit date: | 2018-06-06 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
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4XAY
 | | Cycles of destabilization and repair underlie evolutionary transitions in enzymes | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R8, ... | | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | | Deposit date: | 2014-12-16 | | Release date: | 2015-12-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
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4XAZ
 | | Cycles of destabilization and repair underlie evolutionary transitions in enzymes | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase variant PTE-R18, ZINC ION | | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | | Deposit date: | 2014-12-16 | | Release date: | 2015-12-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
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4XD4
 | | Phosphotriesterase variant E2b | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R3, ... | | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | | Deposit date: | 2014-12-19 | | Release date: | 2015-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
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4XAG
 | | Cycles of destabilization and repair underlie the evolution of new enzyme function | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R6, ... | | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | | Deposit date: | 2014-12-14 | | Release date: | 2015-12-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
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4XD3
 | | Phosphotriesterase variant E3 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-E1, ... | | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | | Deposit date: | 2014-12-19 | | Release date: | 2015-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
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