9EZY
| Vibrio cholerae DdmD-DdmE holo complex | 分子名称: | 14 nucleotide DNA guide with terminal 5' phosphate, Helicase/UvrB N-terminal domain-containing protein, MAGNESIUM ION, ... | 著者 | Loeff, L, Jinek, M. | 登録日 | 2024-04-14 | 公開日 | 2024-09-04 | 実験手法 | ELECTRON MICROSCOPY (2.56 Å) | 主引用文献 | Molecular mechanism of plasmid elimination by the DdmDE defense system. Science, 385, 2024
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9EZX
| Vibrio cholerae DdmD apo complex | 分子名称: | Helicase/UvrB N-terminal domain-containing protein | 著者 | Loeff, L, Jinek, M. | 登録日 | 2024-04-14 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.55 Å) | 主引用文献 | Molecular mechanism of plasmid elimination by the DdmDE defense system. Science, 385, 2024
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9EZL
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9EZJ
| Apo human TDO in complex with a bound inhibitor (Cpd-4) | 分子名称: | Tryptophan 2,3-dioxygenase, alpha-methyl-L-tryptophan, ethyl (9~{R})-2-methoxy-4-oxidanylidene-9-[[(1~{S})-1-phenylethyl]-[(2-propan-2-ylphenyl)carbamoyl]amino]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate | 著者 | Wicki, M, Mac Sweeney, A. | 登録日 | 2024-04-12 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.612 Å) | 主引用文献 | Discovery and binding mode of small molecule inhibitors of the apo form of human TDO2 To Be Published
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9EZG
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((4-((2-aminoethyl)(ethyl)amino)-3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | 分子名称: | 1,2-ETHANEDIOL, 5-[[4-[2-azanylethyl(ethyl)amino]-3-(1,2,4-triazol-4-yl)phenyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | 著者 | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-12 | 公開日 | 2024-07-31 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication. J.Med.Chem., 67, 2024
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9EZ8
| Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba. | 分子名称: | 6,7-dimethyl-8-ribityllumazine synthase | 著者 | Chee, M, Trapani, S, Hoh, F, Lai Kee Him, J, Yvon, M, Blanc, S, Bron, P. | 登録日 | 2024-04-11 | 公開日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba. To Be Published
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9EZ3
| Crystal structure of human CLK3 bound to RN129 | 分子名称: | 1-(5-~{tert}-butyl-2-quinolin-6-yl-pyrazol-3-yl)-3-[3-(4-morpholin-4-yl-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]urea, Dual specificity protein kinase CLK3, SULFATE ION | 著者 | Kraemer, A, Raig, N, Knapp, S. | 登録日 | 2024-04-10 | 公開日 | 2024-09-11 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of human CLK3 bound to RN129 To Be Published
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9EZ2
| Vitamin D receptor complex with 1,4b,25-trihydroxyvitamin D3 | 分子名称: | 1,4b,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ... | 著者 | Rochel, N. | 登録日 | 2024-04-10 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study. Biomolecules, 14, 2024
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9EZ1
| Vitamin D receptor in complex with 1,4a,25-trihydroxyvitamin D3 | 分子名称: | 1,4a,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ... | 著者 | Rochel, N. | 登録日 | 2024-04-10 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | 4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study. Biomolecules, 14, 2024
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9EYX
| Human PRMT5 in complex with AZ compound 28 | 分子名称: | (3~{S})-2-[(5-azanyl-6-fluoranyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ... | 著者 | Debreczeni, J. | 登録日 | 2024-04-09 | 公開日 | 2024-08-14 | 最終更新日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity. J.Med.Chem., 67, 2024
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9EYW
| Human PRMT5 in complex with AZ compound 21 | 分子名称: | (3~{S})-2-[(5-azanyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ... | 著者 | Debreczeni, J. | 登録日 | 2024-04-09 | 公開日 | 2024-08-14 | 最終更新日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity. J.Med.Chem., 67, 2024
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9EYV
| Human PRMT5 in complex with AZ compound 12 | 分子名称: | (1~{S})-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-(1~{H}-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1~{H}-isoindole-1-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ... | 著者 | Debreczeni, J. | 登録日 | 2024-04-09 | 公開日 | 2024-08-14 | 最終更新日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity. J.Med.Chem., 67, 2024
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9EYU
| Human PRMT5 in complex with AZ compound 1 | 分子名称: | (1~{S})-2-[(2-carbamimidamido-1,3-thiazol-5-yl)methyl]-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-1-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ... | 著者 | Debreczeni, J. | 登録日 | 2024-04-09 | 公開日 | 2024-08-14 | 最終更新日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity. J.Med.Chem., 67, 2024
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9EYR
| VDR complex with gemini analog UG-480 | 分子名称: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{R})-5-methyl-1-[(1~{S},2~{S})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Rochel, N. | 登録日 | 2024-04-09 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain. J.Med.Chem., 67, 2024
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9EY8
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9EY7
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9EY6
| Crystal structure of human tyrosinase-related protein 1 (TYRP1) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 5,6-dihydroxyindole-2-carboxylic acid oxidase, ... | 著者 | Ng, Y.M, Soler-Lopez, M. | 登録日 | 2024-04-09 | 公開日 | 2024-05-22 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.228 Å) | 主引用文献 | Interactions of Phenylalanine Derivatives with Human Tyrosinase: Lessons from Experimental and Theoretical tudies. Chembiochem, 25, 2024
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9EY5
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9EY4
| The FK1 domain of FKBP51 in complex with (3S,11S)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxamide | 分子名称: | (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Meyners, C, Krajczy, P, Hausch, F. | 登録日 | 2024-04-09 | 公開日 | 2024-06-12 | 最終更新日 | 2024-08-28 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding Proteins. Chemistry, 30, 2024
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9EY3
| The FK1 domain of FKBP51 in complex with (3S,11S,11aS)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxylic acid | 分子名称: | (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxylic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Meyners, C, Krajczy, P, Hausch, F. | 登録日 | 2024-04-09 | 公開日 | 2024-06-12 | 最終更新日 | 2024-08-28 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding Proteins. Chemistry, 30, 2024
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9EXY
| Crystal structure of the PWWP1 domain of NSD2 bound by compound 34. | 分子名称: | 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 | 著者 | Collie, G.W. | 登録日 | 2024-04-09 | 公開日 | 2024-05-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | 主引用文献 | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches. J.Med.Chem., 67, 2024
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9EXX
| Crystal structure of the PWWP1 domain of NSD2 bound by compound 18. | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide, ETHANOL, ... | 著者 | Collie, G.W. | 登録日 | 2024-04-09 | 公開日 | 2024-05-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.943 Å) | 主引用文献 | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches. J.Med.Chem., 67, 2024
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9EXW
| Crystal structure of the PWWP1 domain of NSD2 bound by compound 17. | 分子名称: | 1,2-ETHANEDIOL, 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 | 著者 | Collie, G.W. | 登録日 | 2024-04-09 | 公開日 | 2024-05-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches. J.Med.Chem., 67, 2024
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9EX2
| X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure C) | 分子名称: | CHLORIDE ION, Lysozyme C, Polyoxidovanadate complex, ... | 著者 | Tito, G, Merlino, A, Ferraro, G. | 登録日 | 2024-04-05 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (1.172 Å) | 主引用文献 | Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme. Angew.Chem.Int.Ed.Engl., 63, 2024
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9EX1
| X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure B) | 分子名称: | CHLORIDE ION, Lysozyme C, Polyoxidovanadate complex | 著者 | Tito, G, Merlino, A, Ferraro, G. | 登録日 | 2024-04-05 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (1.785 Å) | 主引用文献 | Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme. Angew.Chem.Int.Ed.Engl., 63, 2024
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