5WKR
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![BU of 5wkr by Molmil](/molmil-images/mine/5wkr) | Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancCC) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Engineered Chalcone Isomerase ancCC, ... | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | Deposit date: | 2017-07-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
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5WL4
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![BU of 5wl4 by Molmil](/molmil-images/mine/5wl4) | Crystal structure of chalcone isomerase engineered from ancestral inference (ancR3) | Descriptor: | Engineered Chalcone Isomerase ancR3, FORMIC ACID | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | Deposit date: | 2017-07-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
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6CML
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![BU of 6cml by Molmil](/molmil-images/mine/6cml) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 2093) | Descriptor: | 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2H-imidazol-2-one, GLYCEROL, METHIONINE, ... | Authors: | Barros-Alvarez, X, Hol, W.G.J. | Deposit date: | 2018-03-05 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against Trypanosoma brucei Rsc Med Chem, 11, 2020
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5V49
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![BU of 5v49 by Molmil](/molmil-images/mine/5v49) | |
5WL6
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![BU of 5wl6 by Molmil](/molmil-images/mine/5wl6) | Crystal structure of chalcone isomerase engineered from ancestral inference (AncR7) | Descriptor: | CHLORIDE ION, Engineered Chalcone Isomerase AncR7 | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | Deposit date: | 2017-07-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
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5WL3
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![BU of 5wl3 by Molmil](/molmil-images/mine/5wl3) | Crystal structure of chalcone isomerase engineered from ancestral inference (ancR2) | Descriptor: | CHLORIDE ION, Engineered Chalcone Isomerase ancR2 | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | Deposit date: | 2017-07-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
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5WKS
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![BU of 5wks by Molmil](/molmil-images/mine/5wks) | Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancR1) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Engineered Chalcone Isomerase ancR1, FORMIC ACID, ... | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | Deposit date: | 2017-07-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
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5WL5
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![BU of 5wl5 by Molmil](/molmil-images/mine/5wl5) | Crystal structure of chalcone isomerase engineered from ancestral inference (ancR5) | Descriptor: | CHLORIDE ION, Engineered Chalcone Isomerase ancR5, SULFATE ION | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | Deposit date: | 2017-07-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.513 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
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5WL7
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![BU of 5wl7 by Molmil](/molmil-images/mine/5wl7) | Crystal structure of chalcone isomerase engineered from ancestral inference (ancCHI*) | Descriptor: | CHLORIDE ION, Engineered Chalcone Isomerase ancCHI* | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | Deposit date: | 2017-07-25 | Release date: | 2018-05-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
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7S4F
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![BU of 7s4f by Molmil](/molmil-images/mine/7s4f) | Protein Tyrosine Phosphatase 1B - F182Q mutant bound with Hepes | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ... | Authors: | Brandao, T.A.S, Hengge, A.C, Johnson, S.J. | Deposit date: | 2021-09-08 | Release date: | 2022-09-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases. Chem Sci, 13, 2022
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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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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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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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7L0I
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![BU of 7l0i by Molmil](/molmil-images/mine/7l0i) | Ligand-free YopH G352T | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Protein-tyrosine-phosphatase | Authors: | Shen, R.D, Hengge, A.C, Johnson, S.J. | Deposit date: | 2020-12-11 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases. Jacs Au, 1, 2021
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7L0C
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![BU of 7l0c by Molmil](/molmil-images/mine/7l0c) | Ligand-free PTP1B T177G | Descriptor: | Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Shen, R.D, Hengge, A.C, Johnson, S.J. | Deposit date: | 2020-12-11 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases. Jacs Au, 1, 2021
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7L0M
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![BU of 7l0m by Molmil](/molmil-images/mine/7l0m) | Vanadate-bound YopH G352T | Descriptor: | Protein-tyrosine-phosphatase, VANADATE ION | Authors: | Shen, R.D, Hengge, A.C, Johnson, S.J. | Deposit date: | 2020-12-11 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases. Jacs Au, 1, 2021
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7L0H
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![BU of 7l0h by Molmil](/molmil-images/mine/7l0h) | Vanadate-bound PTP1B T177G | Descriptor: | Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | Authors: | Shen, R.D, Hengge, A.C, Johnson, S.J. | Deposit date: | 2020-12-11 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases. Jacs Au, 1, 2021
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3DWR
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![BU of 3dwr by Molmil](/molmil-images/mine/3dwr) | |
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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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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3DWS
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![BU of 3dws by Molmil](/molmil-images/mine/3dws) | |
1JDJ
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![BU of 1jdj by Molmil](/molmil-images/mine/1jdj) | CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH 2-FLUORO-6-CHLOROPURINE | Descriptor: | 6-CHLORO-2-FLUOROPURINE, GLYCEROL-3-PHOSPHATE DEHYDROGENASE, PENTADECANE | Authors: | Suresh, S, Wisedchaisri, G, Kennedy, K.J, Verlinde, C.L.M.J, Gelb, M.H, Hol, W.G.J. | Deposit date: | 2001-06-14 | Release date: | 2002-06-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anomalous differences of light elements in determining precise binding modes of ligands to glycerol-3-phosphate dehydrogenase. Chem.Biol., 9, 2002
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