6ELB
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![BU of 6elb by Molmil](/molmil-images/mine/6elb) | Tryptophan Repressor TrpR from E.coli variant M42F T44L T81M N87G S88Y with Indole-3-acetic acid as ligand | 分子名称: | 1H-INDOL-3-YLACETIC ACID, Trp operon repressor | 著者 | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | 登録日 | 2017-09-28 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.437 Å) | 主引用文献 | A biosensor for the direct visualization of auxin Nature, 2021
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6A23
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![BU of 6a23 by Molmil](/molmil-images/mine/6a23) | Mandelate oxidase mutant-Y128F with the N5-benzyl-FMN adduct | 分子名称: | 1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol, 4-hydroxymandelate oxidase, BENZOYL-FORMIC ACID, ... | 著者 | Li, T.L, Lin, K.H. | 登録日 | 2018-06-08 | 公開日 | 2019-06-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level. Acta Crystallogr D Struct Biol, 75, 2019
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6EQU
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![BU of 6equ by Molmil](/molmil-images/mine/6equ) | X-Ray crystal structure of the human carbonic anhydrase II adduct with a membrane-impermeant inhibitor | 分子名称: | 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Alterio, V, De Simone, G, Esposito, D. | 登録日 | 2017-10-15 | 公開日 | 2017-12-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of the human carbonic anhydrase II adduct with 1-(4-sulfamoylphenyl-ethyl)-2,4,6-triphenylpyridinium perchlorate, a membrane-impermeant, isoform selective inhibitor. J Enzyme Inhib Med Chem, 33, 2018
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8GOF
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![BU of 8gof by Molmil](/molmil-images/mine/8gof) | Structure of hSLC19A1+PMX | 分子名称: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, Reduced folate transporter | 著者 | Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P. | 登録日 | 2022-08-24 | 公開日 | 2022-10-05 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Recognition of cyclic dinucleotides and folates by human SLC19A1. Nature, 612, 2022
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8GOE
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![BU of 8goe by Molmil](/molmil-images/mine/8goe) | Structure of hSLC19A1+5-MTHF | 分子名称: | N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, Reduced folate transporter | 著者 | Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P. | 登録日 | 2022-08-24 | 公開日 | 2022-10-05 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Recognition of cyclic dinucleotides and folates by human SLC19A1. Nature, 612, 2022
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1VJ1
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6ZK1
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![BU of 6zk1 by Molmil](/molmil-images/mine/6zk1) | Plant nucleoside hydrolase - ZmNRh2b enzyme | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | 著者 | Morera, S, Vigouroux, A, Kopecny, D. | 登録日 | 2020-06-29 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization. Plant J., 2023
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6ZK2
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![BU of 6zk2 by Molmil](/molmil-images/mine/6zk2) | Plant nucleoside hydrolase - ZmNRh2b in complex with forodesine | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, ... | 著者 | Morera, S, Vigouroux, A, Kopecny, D. | 登録日 | 2020-06-29 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization. Plant J., 2023
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6ZK3
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![BU of 6zk3 by Molmil](/molmil-images/mine/6zk3) | Plant nucleoside hydrolase - ZmNRh2b in complex with ribose | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Morera, S, Vigouroux, A, Kopecny, D. | 登録日 | 2020-06-29 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization. Plant J., 2023
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6ZK4
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![BU of 6zk4 by Molmil](/molmil-images/mine/6zk4) | Plant nucleoside hydrolase - ZmNRh2b with a bound adenine | 分子名称: | 1,2-ETHANEDIOL, ADENINE, CALCIUM ION, ... | 著者 | Morera, S, Vigouroux, A, Kopecny, D. | 登録日 | 2020-06-29 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization. Plant J., 2023
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6ZK5
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![BU of 6zk5 by Molmil](/molmil-images/mine/6zk5) | Plant nucleoside hydrolase - ZmNRh3 enzyme in complex with forodesine | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, ... | 著者 | Morera, S, Vigouroux, A, Kopecny, D. | 登録日 | 2020-06-29 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization. Plant J., 2023
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6CFC
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8GT6
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![BU of 8gt6 by Molmil](/molmil-images/mine/8gt6) | human STING With agonist HB3089 | 分子名称: | 1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide, Stimulator of interferon genes protein | 著者 | Wang, Z, Yu, X. | 登録日 | 2022-09-07 | 公開日 | 2022-12-28 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | 主引用文献 | Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation. Cell Discov, 8, 2022
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8GSZ
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![BU of 8gsz by Molmil](/molmil-images/mine/8gsz) | Structure of STING SAVI-related mutant V147L | 分子名称: | Stimulator of interferon genes protein | 著者 | Wang, Z, Yu, X. | 登録日 | 2022-09-07 | 公開日 | 2022-12-28 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.65 Å) | 主引用文献 | Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation. Cell Discov, 8, 2022
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6RCB
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6RCM
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![BU of 6rcm by Molmil](/molmil-images/mine/6rcm) | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 3 | 分子名称: | (~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | 著者 | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | 登録日 | 2019-04-11 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020
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1VJO
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4PS5
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![BU of 4ps5 by Molmil](/molmil-images/mine/4ps5) | Crystal structure of the first bromodomain of human BRD4 in complex with TG101348 | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Bromodomain-containing protein 4, ... | 著者 | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | 登録日 | 2014-03-06 | 公開日 | 2014-03-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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1VR3
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6C1S
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![BU of 6c1s by Molmil](/molmil-images/mine/6c1s) | Phosphoinositide 3-Kinase gamma bound to an pyrrolopyridinone Inhibitor | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile | 著者 | Jacobs, M.D, Griffin, J.P. | 登録日 | 2018-01-05 | 公開日 | 2018-06-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Design and Synthesis of a Novel Series of Orally Bioavailable, CNS-Penetrant, Isoform Selective Phosphoinositide 3-Kinase gamma (PI3K gamma ) Inhibitors with Potential for the Treatment of Multiple Sclerosis (MS). J. Med. Chem., 61, 2018
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1VRM
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6C96
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![BU of 6c96 by Molmil](/molmil-images/mine/6c96) | Cryo-EM structure of mouse TPC1 channel in the apo state | 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, SODIUM ION, ... | 著者 | She, J, Guo, J, Chen, Q, Bai, X, Jiang, Y. | 登録日 | 2018-01-25 | 公開日 | 2018-04-04 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural insights into the voltage and phospholipid activation of the mammalian TPC1 channel. Nature, 556, 2018
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6C53
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![BU of 6c53 by Molmil](/molmil-images/mine/6c53) | Cryo-EM structure of the Type 1 pilus rod | 分子名称: | Type-1 fimbrial protein, A chain | 著者 | Zheng, W, Wang, F, Luna-Rico, A, Francetic, O, Hultgren, S.J, Egelman, E.H. | 登録日 | 2018-01-13 | 公開日 | 2018-01-31 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Functional role of the type 1 pilus rod structure in mediating host-pathogen interactions. Elife, 7, 2018
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4P8O
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![BU of 4p8o by Molmil](/molmil-images/mine/4p8o) | S. aureus gyrase bound to an aminobenzimidazole urea inhibitor | 分子名称: | 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea, DNA gyrase subunit B | 著者 | Jacobs, M.D. | 登録日 | 2014-03-31 | 公開日 | 2014-10-29 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability. J.Med.Chem., 57, 2014
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1VQ0
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