8Q1T
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![BU of 8q1t by Molmil](/molmil-images/mine/8q1t) | X-ray structure of acetylcholine binding protein (AChBP) in complex with IOTA739 | 分子名称: | 1,10-PHENANTHROLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ... | 著者 | Cederfelt, D, Lund, B.A, Boronat, P, Hennig, S, Dobritzsch, D, Danielson, U.H. | 登録日 | 2023-08-01 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | 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. | 分子名称: | 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine, Acetylcholine-binding protein, GLYCEROL, ... | 著者 | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | 登録日 | 2023-05-14 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | 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
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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. | 分子名称: | 4-(4-chlorophenyl)piperidin-4-ol, Acetylcholine-binding protein, CHLORIDE ION, ... | 著者 | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | 登録日 | 2023-05-11 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 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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8OWO
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![BU of 8owo by Molmil](/molmil-images/mine/8owo) | SMYD3 in complex with fragment FL01507 | 分子名称: | 3-oxidanylbenzenecarbonitrile, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | 著者 | Lund, B.A, Cederfelt, D, Dobritzsch, D. | 登録日 | 2023-04-28 | 公開日 | 2023-08-30 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening. Rsc Med Chem, 15, 2024
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7NDV
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![BU of 7ndv by Molmil](/molmil-images/mine/7ndv) | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[4-(trifluoromethyl)phenoxy]piperidine, Acetylcholine-binding protein, ... | 著者 | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | 登録日 | 2021-02-02 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of fragments inducing conformational effects in dynamic proteins using a second-harmonic generation biosensor RSC Advances, 11, 2021
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7NDP
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![BU of 7ndp by Molmil](/molmil-images/mine/7ndp) | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856. | 分子名称: | 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, ... | 著者 | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | 登録日 | 2021-02-02 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 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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![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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7QLB
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![BU of 7qlb by Molmil](/molmil-images/mine/7qlb) | SMYD3 in complex with fragment FL06268 | 分子名称: | 1-methylimidazole-4-sulfonamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | 著者 | Lund, B.A, Cederfelt, D, Dobritzsch, D. | 登録日 | 2021-12-20 | 公開日 | 2023-03-29 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 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 | 分子名称: | BENZOYL-FORMIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | 著者 | Lund, B.A, Cederfelt, D, Dobritzsch, D. | 登録日 | 2021-12-22 | 公開日 | 2023-04-05 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | 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 | 分子名称: | 3-propan-2-yl-1,2,4-thiadiazol-5-amine, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | 著者 | Lund, B.A, Cederfelt, D, Dobritzsch, D. | 登録日 | 2021-12-22 | 公開日 | 2023-04-05 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
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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. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-azanyl-1-phenyl-piperidine-4-carboxylic acid, Acetylcholine-binding protein | 著者 | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | 登録日 | 2023-05-12 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 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. | 分子名称: | 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ... | 著者 | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | 登録日 | 2023-05-11 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 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
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![BU of 8bbq by Molmil](/molmil-images/mine/8bbq) | Determination of the structure of active tyrosinase from bacterium Verrucomicrobium spinosum | 分子名称: | COPPER (II) ION, Core tyrosinase, GLYCEROL, ... | 著者 | Fekry, M, Dave, K, Badgujar, D, Aurelius, O, Hamnevik, E, Dobritzsch, D, Danielson, H. | 登録日 | 2022-10-14 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | 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 | 分子名称: | COPPER (II) ION, Core tyrosinase, SULFATE ION | 著者 | Fekry, M, Dave, K, Badgujar, D, Aurelius, O, Hamnevik, E, Dobritzsch, D, Danielson, H. | 登録日 | 2022-10-14 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | The Crystal Structure of Tyrosinase from Verrucomicrobium spinosum Reveals It to Be an Atypical Bacterial Tyrosinase. Biomolecules, 13, 2023
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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 | 分子名称: | EPOXIDE HYDROLASE | 著者 | Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M. | 登録日 | 2015-03-17 | 公開日 | 2016-04-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | 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 | 分子名称: | 1,2-ETHANEDIOL, EPOXIDE HYDROLASE, GLYCEROL | 著者 | Nilsson, M.T.I, Carlsson, A.J, Dobritzsch, D, Widersten, M. | 登録日 | 2015-03-23 | 公開日 | 2016-04-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 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 | 分子名称: | 1,4-DIETHYLENE DIOXIDE, EPOXIDE HYDROLASE | 著者 | Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M. | 登録日 | 2015-03-17 | 公開日 | 2016-04-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 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 | 分子名称: | EPOXIDE HYDROLASE | 著者 | Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M. | 登録日 | 2015-03-17 | 公開日 | 2016-04-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis. Chembiochem, 17, 2016
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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 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | 著者 | Ge, C, Dobritzsch, D, Holmdahl, R. | 登録日 | 2021-03-24 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 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 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Collagen alpha-1(II) chain, GLYCEROL, ... | 著者 | Ge, C, Dobritzsch, D, Holmdahl, R. | 登録日 | 2021-03-24 | 公開日 | 2022-06-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | 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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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 | 分子名称: | J1 EPITOPE, M2139 FAB FRAGMENT HEAVY CHAIN, M2139 FAB FRAGMENT LIGHT CHAIN | 著者 | Raposo, B, Dobritzsch, D, Ge, C, Ekman, D, Lindh, I, Foerster, M, Uysal, H, Schneider, G, Holmdahl, R. | 登録日 | 2013-04-26 | 公開日 | 2014-02-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Epitope-Specific Antibody Response is Controlled by Immunoglobulin Vh Polymorphisms. J.Exp.Med., 211, 2014
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1ZPD
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![BU of 1zpd by Molmil](/molmil-images/mine/1zpd) | PYRUVATE DECARBOXYLASE FROM ZYMOMONAS MOBILIS | 分子名称: | CITRIC ACID, MAGNESIUM ION, MONO-{4-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-AMINO]-2-HYDROXY-3-MERCAPTO-PENT-3-ENYL-PHOSPHONO} ESTER, ... | 著者 | Lu, G, Dobritzsch, D, Schneider, G. | 登録日 | 1998-04-17 | 公開日 | 1999-02-02 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | 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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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 | 分子名称: | BETA-ALANINE SYNTHASE, GLYCINE, ZINC ION | 著者 | Andersen, B, Lundgren, S, Dobritzsch, D, Piskur, J. | 登録日 | 2008-01-07 | 公開日 | 2008-05-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | A Recruited Protease is Involved in Catabolism of Pyrimidines. J.Mol.Biol., 379, 2008
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