6YNJ
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![BU of 6ynj by Molmil](/molmil-images/mine/6ynj) | Crystal structure of YTHDC1 with compound DHU_DC1_046 | 分子名称: | (2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine, SULFATE ION, YTHDC1 | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | 登録日 | 2020-04-13 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6SES
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![BU of 6ses by Molmil](/molmil-images/mine/6ses) | Tubulin-B2 complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Guo, B, Rodriguez-Gabin, A, Prota, A.E, Muehlethaler, T, Zhang, N, Ye, K, Steinmetz, M.O, Band Horwitz, S, Smith III, A.B, McDaid, H.M. | 登録日 | 2019-07-30 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Refinement of the Tubulin Ligand (+)-Discodermolide to Attenuate Chemotherapy-Mediated Senescence. Mol.Pharmacol., 98, 2020
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5MNE
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6YQ6
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![BU of 6yq6 by Molmil](/molmil-images/mine/6yq6) | Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Monooxygenase, ... | 著者 | Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P. | 登録日 | 2020-04-16 | 公開日 | 2020-09-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway. Acs Chem.Biol., 15, 2020
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7T27
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![BU of 7t27 by Molmil](/molmil-images/mine/7t27) | Structure of phage FBB1 anti-CBASS nuclease Acb1-3'3'-cGAMP complex in post reaction state | 分子名称: | Acb1, SULFATE ION, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphinic acid | 著者 | Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J. | 登録日 | 2021-12-03 | 公開日 | 2022-04-20 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity. Nature, 605, 2022
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5MO2
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![BU of 5mo2 by Molmil](/molmil-images/mine/5mo2) | Neutron structure of cationic trypsin in complex with N-amidinopiperidine | 分子名称: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | 著者 | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | 登録日 | 2016-12-13 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | NEUTRON DIFFRACTION (1.5 Å) | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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6V14
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![BU of 6v14 by Molmil](/molmil-images/mine/6v14) | Crystal structure of the bromodomain of human BRD9 bound to TP472 | 分子名称: | 1,2-ETHANEDIOL, 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide, Bromodomain-containing protein 9 | 著者 | Karim, M.R, Chan, A, Schonbrunn, E. | 登録日 | 2019-11-19 | 公開日 | 2020-03-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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5JY0
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![BU of 5jy0 by Molmil](/molmil-images/mine/5jy0) | Crystal structure of Porphyromonas endodontalis DPP11 in complex with substrate | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Asp/Glu-specific dipeptidyl-peptidase, LEU-ASP-VAL | 著者 | Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A. | 登録日 | 2016-05-13 | 公開日 | 2017-06-14 | 最終更新日 | 2017-06-21 | 実験手法 | X-RAY DIFFRACTION (2.599 Å) | 主引用文献 | Bacterial protease uses distinct thermodynamic signatures for substrate recognition. Sci Rep, 7, 2017
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5JS5
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![BU of 5js5 by Molmil](/molmil-images/mine/5js5) | Nitric oxide complex of the L16F mutant of cytochrome c prime from Alcaligenes xylosoxidans | 分子名称: | ASCORBIC ACID, Cytochrome c', HEME C, ... | 著者 | Kekilli, D, Strange, R.W, Hough, M.A. | 登録日 | 2016-05-07 | 公開日 | 2017-03-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design. Chem Sci, 8, 2017
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6F32
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![BU of 6f32 by Molmil](/molmil-images/mine/6f32) | Crystal structure of a dual function amine oxidase/cyclase in complex with substrate analogues | 分子名称: | (2~{R},3~{R})-2,3-bis(oxidanyl)-~{N},~{N}'-dipropyl-butanediamide, ACETATE ION, Amine oxidase LkcE, ... | 著者 | Dorival, J, Risser, F, Jacob, C, Collin, S, Drager, G, Kirschning, A, Paris, C, Chagot, B, Gruez, A, Weissman, K.J. | 登録日 | 2017-11-27 | 公開日 | 2018-09-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Insights into a dual function amide oxidase/macrocyclase from lankacidin biosynthesis. Nat Commun, 9, 2018
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5MQZ
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![BU of 5mqz by Molmil](/molmil-images/mine/5mqz) | Archaeal branched-chain amino acid aminotransferase from Archaeoglobus fulgidus; holoform | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | James, P, Isupov, M.N, Sayer, C, Littlechild, J.A, Sutter, J.M, Schmidt, M, Schoenheit, P. | 登録日 | 2016-12-21 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Thermostable Branched-Chain Amino Acid Transaminases From the Archaea Geoglobus acetivorans and Archaeoglobus fulgidus : Biochemical and Structural Characterization. Front Bioeng Biotechnol, 7, 2019
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6SRJ
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6SRQ
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7AT6
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![BU of 7at6 by Molmil](/molmil-images/mine/7at6) | Structure of thaumatin collected by femtosecond serial crystallography on a COC membrane | 分子名称: | L(+)-TARTARIC ACID, R-1,2-PROPANEDIOL, SODIUM ION, ... | 著者 | Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Wang, M, Pedrini, B. | 登録日 | 2020-10-29 | 公開日 | 2021-11-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL To Be Published
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5JU7
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![BU of 5ju7 by Molmil](/molmil-images/mine/5ju7) | DNA BINDING DOMAIN OF E.COLI CADC | 分子名称: | Transcriptional activator CadC, ZINC ION | 著者 | Janowski, R, Schlundt, A, Sattler, M, Niessing, D. | 登録日 | 2016-05-10 | 公開日 | 2017-04-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structure-function analysis of the DNA-binding domain of a transmembrane transcriptional activator. Sci Rep, 7, 2017
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5JUA
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7T38
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7TBE
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![BU of 7tbe by Molmil](/molmil-images/mine/7tbe) | Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM4 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide, Plasmepsin X, ... | 著者 | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | 登録日 | 2021-12-21 | 公開日 | 2022-05-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | 主引用文献 | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax. Structure, 30, 2022
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6SA9
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6F4D
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5K3G
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![BU of 5k3g by Molmil](/molmil-images/mine/5k3g) | Crystals structure of Acyl-CoA oxidase-1 in Caenorhabditis elegans, Apo form-I | 分子名称: | Acyl-coenzyme A oxidase | 著者 | Zhang, X, Li, K, Jones, R.A, Bruner, S.D, Butcher, R.A. | 登録日 | 2016-05-19 | 公開日 | 2016-08-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.859 Å) | 主引用文献 | Structural characterization of acyl-CoA oxidases reveals a direct link between pheromone biosynthesis and metabolic state in Caenorhabditis elegans. Proc.Natl.Acad.Sci.USA, 113, 2016
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6VA5
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![BU of 6va5 by Molmil](/molmil-images/mine/6va5) | Tudor Domain of Tumor suppressor p53BP1 with MFP-4184 | 分子名称: | 2-(4-methylpiperazin-1-yl)aniline, GLYCEROL, SULFATE ION, ... | 著者 | Zeng, H, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2019-12-16 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Tudor Domain of Tumor suppressor p53BP1 with MFP-4184 to be published
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6P3V
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![BU of 6p3v by Molmil](/molmil-images/mine/6p3v) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT416 | 分子名称: | DIMETHYL SULFOXIDE, N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine, N-acetyltransferase Eis, ... | 著者 | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2019-05-24 | 公開日 | 2019-09-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis. Acs Infect Dis., 5, 2019
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7T37
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![BU of 7t37 by Molmil](/molmil-images/mine/7t37) | Activated state of 2-APB and CBD-bound wildtype rat TRPV2 in nanodiscs | 分子名称: | 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2, cannabidiol | 著者 | Pumroy, R.A, Protopopova, A.D, Gallo, P.N, Moiseenkova-Bell, V.Y. | 登録日 | 2021-12-07 | 公開日 | 2022-05-04 | 最終更新日 | 2024-02-28 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Structural insights into TRPV2 activation by small molecules. Nat Commun, 13, 2022
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8BZL
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![BU of 8bzl by Molmil](/molmil-images/mine/8bzl) | Human 20S Proteasome in complex with peptide activator peptide BLM42 | 分子名称: | ARG-SER-TYR-TYR-SER, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Henneberg, F, Chari, A, Jankowska, E, Witkowska, J. | 登録日 | 2022-12-15 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Peptidic, Blm10-based activators of human 20S proteasome in vitro and in cellulo enhance degradation of proteins connected with neurodegeneration. To Be Published
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