5AJ9
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![BU of 5aj9 by Molmil](/molmil-images/mine/5aj9) | G7 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ARYLSULFATASE, CALCIUM ION, ... | Authors: | Miton, C.M, Fischer, G, Jonas, S, Mohammed, M.F, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | Deposit date: | 2015-02-20 | Release date: | 2016-03-16 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8BE1
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![BU of 8be1 by Molmil](/molmil-images/mine/8be1) | SARS-CoV-2 RBD in complex with a Fab fragment of a neutralising antibody mRBD2 | Descriptor: | Antibody heavy chain, Antibody light chain, SULFATE ION, ... | Authors: | Lulla, A, Brear, P, Fischer, K, Hollfelder, F, Hyvonen, M. | Deposit date: | 2022-10-21 | Release date: | 2023-01-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Microfluidics-enabled fluorescence-activated cell sorting of single pathogen-specific antibody secreting cells for the rapid discovery of monoclonal antibodies Biorxiv, 2023
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6HQU
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![BU of 6hqu by Molmil](/molmil-images/mine/6hqu) | Humanised RadA mutant HumRadA22 in complex with a recombined BRC repeat 8-2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Breast cancer type 2 susceptibility, DNA repair and recombination protein RadA, ... | Authors: | Pantelejevs, T, Lindenburg, L, Hyvonen, M, Hollfelder, F. | Deposit date: | 2018-09-25 | Release date: | 2019-10-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Improved RAD51 binders through motif shuffling based on the modularity of BRC repeats. Proc.Natl.Acad.Sci.USA, 118, 2021
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4UPH
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![BU of 4uph by Molmil](/molmil-images/mine/4uph) | Crystal Structure of Phosphonate Monoester Hydrolase of Agrobacterium radiobacter | Descriptor: | CHLORIDE ION, MAGNESIUM ION, SULFATASE (SULFURIC ESTER HYDROLASE) PROTEIN | Authors: | Fischer, G, Loo, B.v, Hyvonen, M, Hollfelder, F. | Deposit date: | 2014-06-17 | Release date: | 2015-07-01 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Balancing Specificity and Promiscuity in Enzyme Evolution: Multidimensional Activity Transitions in the Alkaline Phosphatase Superfamily. J.Am.Chem.Soc., 141, 2019
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4UPL
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![BU of 4upl by Molmil](/molmil-images/mine/4upl) | Dimeric sulfatase SpAS2 from Silicibacter pomeroyi | Descriptor: | SULFATASE FAMILY PROTEIN, ZINC ION | Authors: | Jonas, S, van Loo, B, Hollfelder, F, Hyvonen, M. | Deposit date: | 2014-06-17 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.805 Å) | Cite: | Balancing Specificity and Promiscuity in Enzyme Evolution: Multidimensional Activity Transitions in the Alkaline Phosphatase Superfamily. J.Am.Chem.Soc., 141, 2019
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4UPI
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![BU of 4upi by Molmil](/molmil-images/mine/4upi) | Dimeric sulfatase SpAS1 from Silicibacter pomeroyi | Descriptor: | SULFATASE FAMILY PROTEIN, ZINC ION | Authors: | Jonas, S, van Loo, B, Hollfelder, F, Hyvonen, M. | Deposit date: | 2014-06-17 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Balancing Specificity and Promiscuity in Enzyme Evolution: Multidimensional Activity Transitions in the Alkaline Phosphatase Superfamily. J.Am.Chem.Soc., 141, 2019
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4UPK
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![BU of 4upk by Molmil](/molmil-images/mine/4upk) | |
6FNY
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![BU of 6fny by Molmil](/molmil-images/mine/6fny) | CRYSTAL STRUCTURE OF A CHOLINE SULFATASE FROM SINORHIZOBIUM MELLILOTI | Descriptor: | CALCIUM ION, Choline-sulfatase | Authors: | Valkov, E, Van Loo, B, Hollfelder, F, Hyvonen, M. | Deposit date: | 2018-02-05 | Release date: | 2018-02-28 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural and Mechanistic Analysis of the Choline Sulfatase from Sinorhizobium melliloti: A Class I Sulfatase Specific for an Alkyl Sulfate Ester. J. Mol. Biol., 430, 2018
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6YV5
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![BU of 6yv5 by Molmil](/molmil-images/mine/6yv5) | Crystal Structure of Serine protease SplB N3Q/S154R from Staphylococcus aureus | Descriptor: | SODIUM ION, Serine protease | Authors: | Rangel Pereira, M.R, Brear, P, Knyphausen, P, Jermutus, L, Hollfelder, F. | Deposit date: | 2020-04-27 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Structure of Serine protease SplB N3Q/S154R from Staphylococcus aureus To Be Published
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6YV6
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![BU of 6yv6 by Molmil](/molmil-images/mine/6yv6) | Crystal Structure of Serine protease SplB N2K/N3Q/S154R from Staphylococcus aureus | Descriptor: | DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, Serine protease | Authors: | Rangel Pereira, M.R, Brear, P, Knyphausen, P, Jermutus, L, Hollfelder, F. | Deposit date: | 2020-04-27 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Crystal Structure of Serine protease SplB N2K/N3Q/S154R from Staphylococcus aureus to be published
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4CXU
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![BU of 4cxu by Molmil](/molmil-images/mine/4cxu) | G4 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with 3-Br-Phenolphenylphosphonate | Descriptor: | 3-bromophenyl hydrogen (S)-phenylphosphonate, ARYLSULFATASE, CALCIUM ION | Authors: | Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | Deposit date: | 2014-04-08 | Release date: | 2015-04-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4CXS
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![BU of 4cxs by Molmil](/molmil-images/mine/4cxs) | G4 mutant of PAS, arylsulfatase from Pseudomonas aeruginosa, in complex with Phenylphosphonic acid | Descriptor: | ARYLSULFATASE, CALCIUM ION, SULFATE ION, ... | Authors: | Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | Deposit date: | 2014-04-08 | Release date: | 2015-05-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4CYR
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![BU of 4cyr by Molmil](/molmil-images/mine/4cyr) | G4 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa | Descriptor: | ARYLSULFATASE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | Deposit date: | 2014-04-14 | Release date: | 2015-04-29 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4CXK
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![BU of 4cxk by Molmil](/molmil-images/mine/4cxk) | G9 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa | Descriptor: | ARYLSULFATASE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | Deposit date: | 2014-04-07 | Release date: | 2015-04-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2W8S
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![BU of 2w8s by Molmil](/molmil-images/mine/2w8s) | CRYSTAL STRUCTURE OF A catalytically promiscuous PHOSPHONATE MONOESTER HYDROLASE FROM Burkholderia caryophylli | Descriptor: | FE (III) ION, GLYCEROL, PHOSPHONATE MONOESTER HYDROLASE, ... | Authors: | Jonas, S, van Loo, B, Hyvonen, M, Hollfelder, F. | Deposit date: | 2009-01-19 | Release date: | 2010-02-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An Efficient, Multiply Promiscuous Hydrolase in the Alkaline Phosphatase Superfamily. Proc.Natl.Acad.Sci.USA, 107, 2010
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4CYS
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![BU of 4cys by Molmil](/molmil-images/mine/4cys) | G6 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with Phenylphosphonic acid | Descriptor: | AMMONIUM ION, ARYLSULFATASE, CALCIUM ION, ... | Authors: | Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | Deposit date: | 2014-04-14 | Release date: | 2015-04-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7QEA
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![BU of 7qea by Molmil](/molmil-images/mine/7qea) | Crystal structure of fluorescein-di-Beta-D-glucuronide bound to a mutant of SN243 (D415A) | Descriptor: | (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid, ACETATE ION, SN243, ... | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | Deposit date: | 2021-12-01 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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7QEE
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![BU of 7qee by Molmil](/molmil-images/mine/7qee) | SN243 mutant D415N bound to para-nitrophenyl-Beta-D-glucuronide | Descriptor: | 4-nitrophenyl beta-D-glucopyranosiduronic acid, SN243, SULFATE ION, ... | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | Deposit date: | 2021-12-02 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.374 Å) | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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7QG4
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![BU of 7qg4 by Molmil](/molmil-images/mine/7qg4) | Apo crystal structure of a mutant of SN243 (D415N) | Descriptor: | SN243, SULFATE ION, ZINC ION | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | Deposit date: | 2021-12-07 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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7QEF
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![BU of 7qef by Molmil](/molmil-images/mine/7qef) | Crystal structure of para-nitrophenyl-Beta-D-glucuronide bound to a mutant of SN243 (D415A) | Descriptor: | 4-nitrophenyl beta-D-glucopyranosiduronic acid, ACETATE ION, SN243, ... | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | Deposit date: | 2021-12-02 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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7QE1
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![BU of 7qe1 by Molmil](/molmil-images/mine/7qe1) | Crystal structure of apo SN243 | Descriptor: | SN243, ZINC ION | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | Deposit date: | 2021-12-01 | Release date: | 2022-10-12 | Last modified: | 2023-03-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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7QE2
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![BU of 7qe2 by Molmil](/molmil-images/mine/7qe2) | Crystal structure of D-glucuronic acid bound to SN243 | Descriptor: | ACETATE ION, SN243, SULFATE ION, ... | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | Deposit date: | 2021-12-01 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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4ZI5
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![BU of 4zi5 by Molmil](/molmil-images/mine/4zi5) | Crystal Structure of Dienelactone Hydrolase-like Promiscuous Phospotriesterase P91 from Metagenomic Libraries | Descriptor: | CHLORIDE ION, MAGNESIUM ION, P91 | Authors: | Colin, P.-Y, Fischer, G, Hyvonen, M, Hollfelder, F. | Deposit date: | 2015-04-27 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Ultrahigh-throughput discovery of promiscuous enzymes by picodroplet functional metagenomics. Nat Commun, 6, 2015
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2VQR
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![BU of 2vqr by Molmil](/molmil-images/mine/2vqr) | Crystal structure of a phosphonate monoester hydrolase from rhizobium leguminosarum: a new member of the alkaline phosphatase superfamily | Descriptor: | ACETATE ION, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Jonas, S, Hyvonen, M, Hollfelder, F. | Deposit date: | 2008-03-18 | Release date: | 2008-09-30 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | A New Member of the Alkaline Phosphatase Superfamily with a Formylglycine Nucleophile: Structural and Kinetic Characterisation of a Phosphonate Monoester Hydrolase/Phosphodiesterase from Rhizobium Leguminosarum. J.Mol.Biol., 384, 2008
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4PCP
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![BU of 4pcp by Molmil](/molmil-images/mine/4pcp) | Crystal structure of Phosphotriesterase variant R0 | Descriptor: | CACODYLATE ION, Phosphotriesterase variant PTE-R0, ZINC ION | Authors: | Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J. | Deposit date: | 2014-04-16 | Release date: | 2015-05-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | The role of protein dynamics in the evolution of new enzyme function. Nat. Chem. Biol., 12, 2016
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