8OWO
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![BU of 8owo by Molmil](/molmil-images/mine/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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8P11
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![BU of 8p11 by Molmil](/molmil-images/mine/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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8P22
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![BU of 8p22 by Molmil](/molmil-images/mine/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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7BJ1
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![BU of 7bj1 by Molmil](/molmil-images/mine/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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8P1F
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![BU of 8p1f by Molmil](/molmil-images/mine/8p1f) | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001909. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-azanyl-1-phenyl-piperidine-4-carboxylic acid, 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: | 2023-05-12 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 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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8P1E
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![BU of 8p1e by Molmil](/molmil-images/mine/8p1e) | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001613. | Descriptor: | 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 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: | 2023-05-11 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 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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7QLB
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![BU of 7qlb by Molmil](/molmil-images/mine/7qlb) | SMYD3 in complex with fragment FL06268 | Descriptor: | 1-methylimidazole-4-sulfonamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2021-12-20 | Release date: | 2023-03-29 | Last modified: | 2024-04-24 | 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, 2024
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7QNU
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![BU of 7qnu by Molmil](/molmil-images/mine/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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7QNR
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![BU of 7qnr by Molmil](/molmil-images/mine/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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7BN2
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![BU of 7bn2 by Molmil](/molmil-images/mine/7bn2) | |
7BN3
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![BU of 7bn3 by Molmil](/molmil-images/mine/7bn3) | |
7BN1
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![BU of 7bn1 by Molmil](/molmil-images/mine/7bn1) | |
7NZF
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![BU of 7nzf by Molmil](/molmil-images/mine/7nzf) | Crystal structure of HLA-DR4 in complex with a mutated human collagen type II peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | Authors: | Ge, C, Dobritzsch, D, Holmdahl, R. | Deposit date: | 2021-03-24 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor. Ann Rheum Dis, 81, 2022
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7NZE
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![BU of 7nze by Molmil](/molmil-images/mine/7nze) | Crystal structure of HLA-DR4 in complex with a human collagen type II peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Collagen alpha-1(II) chain, GLYCEROL, ... | Authors: | Ge, C, Dobritzsch, D, Holmdahl, R. | Deposit date: | 2021-03-24 | Release date: | 2022-06-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor. Ann Rheum Dis, 81, 2022
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4UFP
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![BU of 4ufp by Molmil](/molmil-images/mine/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
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![BU of 4uhb by Molmil](/molmil-images/mine/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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4UFN
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![BU of 4ufn by Molmil](/molmil-images/mine/4ufn) | Laboratory evolved variant R-C1B1 of potato epoxide hydrolase StEH1 | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 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 Å) | Cite: | Conformational Diversity and Enantioconvergence in Potato Epoxide Hydrolase 1. Org.Biomol.Chem., 14, 2016
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4UFO
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![BU of 4ufo by Molmil](/molmil-images/mine/4ufo) | Laboratory evolved variant R-C1B1D33E6 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 (2.02 Å) | Cite: | Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis. Chembiochem, 17, 2016
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2VL1
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![BU of 2vl1 by Molmil](/molmil-images/mine/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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1ZPD
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![BU of 1zpd by Molmil](/molmil-images/mine/1zpd) | PYRUVATE DECARBOXYLASE FROM ZYMOMONAS MOBILIS | Descriptor: | CITRIC ACID, MAGNESIUM ION, MONO-{4-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-AMINO]-2-HYDROXY-3-MERCAPTO-PENT-3-ENYL-PHOSPHONO} ESTER, ... | Authors: | Lu, G, Dobritzsch, D, Schneider, G. | Deposit date: | 1998-04-17 | Release date: | 1999-02-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | High resolution crystal structure of pyruvate decarboxylase from Zymomonas mobilis. Implications for substrate activation in pyruvate decarboxylases. J.Biol.Chem., 273, 1998
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4BKL
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![BU of 4bkl by Molmil](/molmil-images/mine/4bkl) | Crystal structure of the arthritogenic antibody M2139 (Fab fragment) in complex with the triple-helical J1 peptide | Descriptor: | J1 EPITOPE, M2139 FAB FRAGMENT HEAVY CHAIN, M2139 FAB FRAGMENT LIGHT CHAIN | Authors: | Raposo, B, Dobritzsch, D, Ge, C, Ekman, D, Lindh, I, Foerster, M, Uysal, H, Schneider, G, Holmdahl, R. | Deposit date: | 2013-04-26 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Epitope-Specific Antibody Response is Controlled by Immunoglobulin Vh Polymorphisms. J.Exp.Med., 211, 2014
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7ZX4
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![BU of 7zx4 by Molmil](/molmil-images/mine/7zx4) | Clathrin N-terminal domain in complex with a HURP phospho-peptide | Descriptor: | CHLORIDE ION, Clathrin heavy chain 1, Disks large-associated protein 5, ... | Authors: | Kliche, J, Badgujar, D, Dobritzsch, D, Ivarsson, Y. | Deposit date: | 2022-05-20 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Large-scale phosphomimetic screening identifies phospho-modulated motif-based protein interactions. Mol.Syst.Biol., 19, 2023
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8BBQ
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![BU of 8bbq by Molmil](/molmil-images/mine/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
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![BU of 8bbr by Molmil](/molmil-images/mine/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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2V8G
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![BU of 2v8g by Molmil](/molmil-images/mine/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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