7OMD
 
 | | Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant RLuc8-D162A | | Descriptor: | 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one, CHLORIDE ION, Coelenterazine h 2-monooxygenase, ... | | Authors: | Schenkmayerova, A, Janin, Y.L, Marek, M. | | Deposit date: | 2021-05-21 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
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7OMR
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6YN2
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6XT8
 | | Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-2 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Markova, K, Damborsky, J, Marek, M. | | Deposit date: | 2020-01-15 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers
Acs Catalysis, 11, 2021
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6XTC
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6GX3
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 1 | | Descriptor: | 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-06-26 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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6G75
 | | Crystal structure of the common ancestor of haloalkane dehalogenases and Renilla luciferase (AncHLD-RLuc) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Common ancestor of haloalkane dehalogenase and Renilla luciferase (AncHLD-RLuc), ... | | Authors: | Chaloupkova, R, Waterman, J, Marek, M, Damborsky, J. | | Deposit date: | 2018-04-04 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.391 Å) | | Cite: | Light-Emitting Dehalogenases: Reconstruction of Multifunctional Biocatalysts
Acs Catalysis, 2019
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6SP5
 | | Structure of hyperstable haloalkane dehalogenase variant DhaA115 | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Haloalkane dehalogenase, ... | | Authors: | Chmelova, K, Markova, K, Damborsky, J, Marek, M. | | Deposit date: | 2019-08-30 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst.
Chem Sci, 11, 2020
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6SP8
 | | Structure of hyperstable haloalkane dehalogenase variant DhaA115 prepared by the 'soak-and-freeze' method under 150 bar of krypton pressure | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Haloalkane dehalogenase, ... | | Authors: | Chmelova, K, Markova, K, Damborsky, J, Marek, M. | | Deposit date: | 2019-08-31 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst.
Chem Sci, 11, 2020
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7OME
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6Y9E
 | | Crystal structure of putative ancestral haloalkane dehalogenase AncHLD2 (node 2) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Chaloupkova, R, Damborsky, J, Marek, M. | | Deposit date: | 2020-03-09 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of hyperstable ancestral haloalkane dehalogenases show restricted conformational dynamics.
Comput Struct Biotechnol J, 18, 2020
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6Y9G
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6Y9F
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6GXU
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 3 | | Descriptor: | (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-06-27 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.917 Å) | | Cite: | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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6GXW
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 4 | | Descriptor: | (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-06-27 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.071 Å) | | Cite: | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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6GXA
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 2 | | Descriptor: | (~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-06-27 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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4CAY
 | | Crystal structure of a human Anp32e-H2A.Z-H2B complex | | Descriptor: | ACIDIC LEUCINE-RICH NUCLEAR PHOSPHOPROTEIN 32 FAMILY MEMBER E, HISTONE H2A.Z, HISTONE H2B TYPE 1-J | | Authors: | Obri, A, Ouararhni, K, Papin, C, Diebold, M.-L, Padmanabhan, K, Marek, M, Stoll, I, Roy, L, Reilly, P.T, Mak, T.W, Dimitrov, S, Romier, C, Hamiche, A. | | Deposit date: | 2013-10-09 | | Release date: | 2014-01-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Anp32E is a Histone Chaperone that Removes H2A.Z from Chromatin
Nature, 648, 2014
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6XY9
 | | Crystal structure of haloalkane dehalogenase DbeA-M1 loop variant from Bradyrhizobium elkanii | | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase | | Authors: | Prudnikova, T, Rezacova, P, Kuta Smatanova, I, Chaloupkova, R, Damborsky, J. | | Deposit date: | 2020-01-29 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and catalytic effects of surface loop-helix transplantation within haloalkane dehalogenase family.
Comput Struct Biotechnol J, 18, 2020
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5W5K
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with KV70 | | Descriptor: | 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium, Histone deacetylase 6, POTASSIUM ION, ... | | Authors: | Porter, N.J, Christianson, D.W. | | Deposit date: | 2017-06-15 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Synthesis and Biological Investigation of Phenothiazine-Based Benzhydroxamic Acids as Selective Histone Deacetylase 6 Inhibitors.
J.Med.Chem., 62, 2019
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7NZ9
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7NZ8
 | | Crystal structure of mouse ADAT2/ADAT3 tRNA deamination complex 2 | | Descriptor: | Probable inactive tRNA-specific adenosine deaminase-like protein 3, ZINC ION, tRNA-specific adenosine deaminase 2 | | Authors: | Ramos Morales, E, Romier, C. | | Deposit date: | 2021-03-23 | | Release date: | 2021-05-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | The structure of the mouse ADAT2/ADAT3 complex reveals the molecular basis for mammalian tRNA wobble adenosine-to-inosine deamination.
Nucleic Acids Res., 49, 2021
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7NZ7
 | | Crystal structure of mouse ADAT2/ADAT3 tRNA deamination complex 1 | | Descriptor: | Probable inactive tRNA-specific adenosine deaminase-like protein 3, ZINC ION, tRNA-specific adenosine deaminase 2 | | Authors: | Ramos Morales, E, Romier, C. | | Deposit date: | 2021-03-23 | | Release date: | 2021-05-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | The structure of the mouse ADAT2/ADAT3 complex reveals the molecular basis for mammalian tRNA wobble adenosine-to-inosine deamination.
Nucleic Acids Res., 49, 2021
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