7QNR
 
 | | SMYD3 in complex with fragment FL01791 | | Descriptor: | 3-propan-2-yl-1,2,4-thiadiazol-5-amine, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | | Deposit date: | 2021-12-22 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
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7QNU
 | | SMYD3 in complex with fragment FL08619 | | Descriptor: | BENZOYL-FORMIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | | Deposit date: | 2021-12-22 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
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2VL1
 | | Crystal structure of beta-alanine synthase from Saccharomyces kluyveri in complex with a gly-gly peptide | | Descriptor: | BETA-ALANINE SYNTHASE, GLYCINE, ZINC ION | | Authors: | Andersen, B, Lundgren, S, Dobritzsch, D, Piskur, J. | | Deposit date: | 2008-01-07 | | Release date: | 2008-05-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A Recruited Protease is Involved in Catabolism of Pyrimidines.
J.Mol.Biol., 379, 2008
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6YUH
 | | Crystal structure of SMYD3 with diperodon R enantiomer bound to allosteric site | | Descriptor: | Diperodon, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | | Authors: | Cederfelt, D, Talibov, V.O, Dobritzsch, D, Danielson, U.H. | | Deposit date: | 2020-04-27 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase.
Chembiochem, 22, 2021
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1R43
 | | Crystal structure of beta-alanine synthase from Saccharomyces kluyveri (selenomethionine substituted protein) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-AMINO ISOBUTYRATE, ... | | Authors: | Lundgren, S, Gojkovic, Z, Piskur, J, Dobritzsch, D. | | Deposit date: | 2003-10-03 | | Release date: | 2003-11-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Yeast beta-Alanine Synthase Shares a Structural Scaffold and Origin with Dizinc-dependent Exopeptidases
J.Biol.Chem., 278
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1R3N
 | | Crystal structure of beta-alanine synthase from Saccharomyces kluyveri | | Descriptor: | BETA-AMINO ISOBUTYRATE, ZINC ION, beta-alanine synthase | | Authors: | Lundgren, S, Gojkovic, Z, Piskur, J, Dobritzsch, D. | | Deposit date: | 2003-10-02 | | Release date: | 2003-11-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Yeast beta-Alanine Synthase Shares a Structural Scaffold and Origin with Dizinc-dependent Exopeptidases
J.Biol.Chem., 278, 2003
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2V8G
 | | Crystal structure of beta-alanine synthase from Saccharomyces kluyveri in complex with the product beta-alanine | | Descriptor: | BETA-ALANINE, BETA-ALANINE SYNTHASE, BICINE, ... | | Authors: | Lundgren, S, Andersen, B, Piskur, J, Dobritzsch, D. | | Deposit date: | 2007-08-07 | | Release date: | 2007-10-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structures of Yeast -Alanine Synthase Complexes Reveal the Mode of Substrate Binding and Large Scale Domain Closure Movements.
J.Biol.Chem., 282, 2007
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2V8H
 | | Crystal structure of mutant E159A of beta-alanine synthase from Saccharomyces kluyveri in complex with its substrate N-carbamyl-beta- alanine | | Descriptor: | BETA-ALANINE SYNTHASE, BICINE, N-(AMINOCARBONYL)-BETA-ALANINE, ... | | Authors: | Lundgren, S, Andersen, B, Piskur, J, Dobritzsch, D. | | Deposit date: | 2007-08-08 | | Release date: | 2007-10-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Yeast -Alanine Synthase Complexes Reveal the Mode of Substrate Binding and Large Scale Domain Closure Movements.
J.Biol.Chem., 282, 2007
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2V8V
 | | Crystal structure of mutant R322A of beta-alanine synthase from Saccharomyces kluyveri | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-ALANINE SYNTHASE, N-(AMINOCARBONYL)-BETA-ALANINE, ... | | Authors: | Lundgren, S, Andersen, B, Piskur, J, Dobritzsch, D. | | Deposit date: | 2007-08-15 | | Release date: | 2007-10-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of Yeast -Alanine Synthase Complexes Reveal the Mode of Substrate Binding and Large Scale Domain Closure Movements.
J.Biol.Chem., 282, 2007
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2V8D
 | | Crystal structure of mutant E159A of beta-alanine synthase from Saccharomyces kluyveri | | Descriptor: | BETA-ALANINE SYNTHASE, ZINC ION | | Authors: | Lundgren, S, Andersen, B, Piskur, J, Dobritzsch, D. | | Deposit date: | 2007-08-07 | | Release date: | 2007-10-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of Yeast -Alanine Synthase Complexes Reveal the Mode of Substrate Binding and Large Scale Domain Closure Movements.
J.Biol.Chem., 282, 2007
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7BJ1
 | | Crystal structure of SMYD3 with diperodon S enantiomer bound to allosteric site | | Descriptor: | ACETATE ION, Diperodon (S-enantiomer), GLYCEROL, ... | | Authors: | Talibov, V.O, Cederfelt, D, Dobritzsch, D, Danielson, U.H. | | Deposit date: | 2021-01-13 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase
Chembiochem, 22, 2021
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8PT4
 | | beta-Ureidopropionase tetramer | | Descriptor: | Beta-ureidopropionase | | Authors: | Cederfelt, D, Dobritzsch, D. | | Deposit date: | 2023-07-13 | | Release date: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | The Allosteric Regulation of Beta-Ureidopropionase Depends on Fine-Tuned Stability of Active-Site Loops and Subunit Interfaces.
Biomolecules, 13, 2023
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8OWO
 | | SMYD3 in complex with fragment FL01507 | | Descriptor: | 3-oxidanylbenzenecarbonitrile, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | | Deposit date: | 2023-04-28 | | Release date: | 2023-08-30 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening.
Rsc Med Chem, 15, 2024
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8P22
 | | X-ray structure of acetylcholine-binding protein (AChBP) in complex with IOTA376. | | Descriptor: | 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine, Acetylcholine-binding protein, GLYCEROL, ... | | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | | Deposit date: | 2023-05-14 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins
To Be Published
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8P11
 | | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL003044. | | Descriptor: | 4-(4-chlorophenyl)piperidin-4-ol, Acetylcholine-binding protein, CHLORIDE ION, ... | | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | | Deposit date: | 2023-05-11 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins
To Be Published
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8Q1T
 | | X-ray structure of acetylcholine binding protein (AChBP) in complex with IOTA739 | | Descriptor: | 1,10-PHENANTHROLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ... | | Authors: | Cederfelt, D, Lund, B.A, Boronat, P, Hennig, S, Dobritzsch, D, Danielson, U.H. | | Deposit date: | 2023-08-01 | | Release date: | 2024-06-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins
To Be Published
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8BBQ
 | | Determination of the structure of active tyrosinase from bacterium Verrucomicrobium spinosum | | Descriptor: | COPPER (II) ION, Core tyrosinase, GLYCEROL, ... | | Authors: | Fekry, M, Dave, K, Badgujar, D, Aurelius, O, Hamnevik, E, Dobritzsch, D, Danielson, H. | | Deposit date: | 2022-10-14 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | The Crystal Structure of Tyrosinase from Verrucomicrobium spinosum Reveals It to Be an Atypical Bacterial Tyrosinase.
Biomolecules, 13, 2023
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8BBR
 | | Determination of the structure of active tyrosinase from bacterium Verrucomicrobium spinosum | | Descriptor: | COPPER (II) ION, Core tyrosinase, SULFATE ION | | Authors: | Fekry, M, Dave, K, Badgujar, D, Aurelius, O, Hamnevik, E, Dobritzsch, D, Danielson, H. | | Deposit date: | 2022-10-14 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | The Crystal Structure of Tyrosinase from Verrucomicrobium spinosum Reveals It to Be an Atypical Bacterial Tyrosinase.
Biomolecules, 13, 2023
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7NDV
 | | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[4-(trifluoromethyl)phenoxy]piperidine, Acetylcholine-binding protein, ... | | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | | Deposit date: | 2021-02-02 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of fragments inducing conformational effects in dynamic proteins using a second-harmonic generation biosensor
RSC Advances, 11, 2021
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7NDP
 | | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one, ... | | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | | Deposit date: | 2021-02-02 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of fragments inducing conformational effects in dynamic proteins using a second-harmonic generation biosensor.
Rsc Adv, 11, 2021
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7BN2
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7BN3
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7BN1
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4UFP
 | | Laboratory evolved variant R-C1B1D33 of potato epoxide hydrolase StEH1 | | Descriptor: | EPOXIDE HYDROLASE | | Authors: | Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M. | | Deposit date: | 2015-03-17 | | Release date: | 2016-04-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis.
Chembiochem, 17, 2016
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4UHB
 | | Laboratory evolved variant R-C1 of potato epoxide hydrolase StEH1 | | Descriptor: | 1,2-ETHANEDIOL, EPOXIDE HYDROLASE, GLYCEROL | | Authors: | Nilsson, M.T.I, Carlsson, A.J, Dobritzsch, D, Widersten, M. | | Deposit date: | 2015-03-23 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis.
Chembiochem, 17, 2016
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