PDB: 222624 件ウェブページステータス検索Chemie searchBIRD

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9FA6	Gcase in complex with small molecule inhibitor 1 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, Lysosomal acid glucosylceramidase, ... 著者 Tisi, D, Cleasby, A. 登録日 2024-05-10 公開日 2024-07-03 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 2024
9FA4	Structure of the Integrator arm module containing subunits INTS10/13/14/15 (state 1) 分子名称: Integrator complex subunit 10, Integrator complex subunit 13, Integrator complex subunit 14, ... 著者 Razew, M, Galej, W.P. 登録日 2024-05-10 公開日 2024-06-12 実験手法 ELECTRON MICROSCOPY (4 Å) 主引用文献 Structural basis of the Integrator complex assembly and association with transcription factors. Mol.Cell, 2024
9FA3	Gcase in complex with small molecule inhibitor 1 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, Lysosomal acid glucosylceramidase, ... 著者 Tisi, D, Cleasby, A. 登録日 2024-05-10 公開日 2024-07-03 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 2024
9F9Z	Gcase in complex with small molecule inhibitor 1 分子名称: (2~{S})-1-(2,6-dimethylphenoxy)propan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ... 著者 Tisi, D, Cleasby, A. 登録日 2024-05-09 公開日 2024-07-03 実験手法 X-RAY DIFFRACTION (2.279 Å) 主引用文献 Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 2024
9F9Q	Human apo pseudouridine synthase 3 (PUS3 D118A mutant) 分子名称: tRNA pseudouridine(38/39) synthase 著者 Lin, T.-Y, Glatt, S. 登録日 2024-05-08 公開日 2024-07-10 実験手法 ELECTRON MICROSCOPY (6.5 Å) 主引用文献 The molecular basis of tRNA selectivity by human pseudouridine synthase 3 (PUS3) Mol.Cell
9F9M	Crystal structure of MUS81-EME1 bound by compound 21. 分子名称: 5-oxidanyl-4-oxidanylidene-1-(4-piperazin-1-ylphenyl)pyridine-3-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... 著者 Collie, G.W. 登録日 2024-05-08 公開日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.469 Å) 主引用文献 Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024
9F9L	Crystal structure of MUS81-EME1 bound by compound 16. 分子名称: 2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... 著者 Collie, G.W. 登録日 2024-05-07 公開日 2024-07-03 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024
9F9K	Crystal structure of MUS81-EME1 bound by compound 15. 分子名称: 5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... 著者 Collie, G.W. 登録日 2024-05-07 公開日 2024-07-03 実験手法 X-RAY DIFFRACTION (2.728 Å) 主引用文献 Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024
9F9A	Crystal structure of MUS81-EME1 bound by compound 12. 分子名称: 2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... 著者 Collie, G.W. 登録日 2024-05-07 公開日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.911 Å) 主引用文献 Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024
9F99	Crystal structure of MUS81-EME1 bound by compound 10. 分子名称: 2-(4-chlorophenyl)-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... 著者 Collie, G.W. 登録日 2024-05-07 公開日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.803 Å) 主引用文献 Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024
9F98	Crystal structure of MUS81-EME1, apo form. 分子名称: Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81 著者 Collie, G.W. 登録日 2024-05-07 公開日 2024-07-03 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024
9F8X	Low-dose structure of Marinobacter nauticus nitrous oxide reductase 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... 著者 Einsle, O, Pomowski, A. 登録日 2024-05-07 公開日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.498 Å) 主引用文献 Revisiting the metal sites of nitrous oxide reductase in a low-dose structure from Marinobacter nauticus. J.Biol.Inorg.Chem., 29, 2024
9F7X	Human PPARgamma ligand binding domain in complex with co-activator 1alpha peptide and bisphenol B (BPB) 分子名称: Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, bisphenol-B 著者 Useini, A, Strater, N. 登録日 2024-05-05 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Structural Studies on the Binding Mode of Bisphenols to PPAR gamma. Biomolecules, 14, 2024
9F7W	Humman PPARgamma ligand binding domain in complex with co-activator 1alpha peptide and bisphenol A (BPA) 分子名称: 4,4'-PROPANE-2,2-DIYLDIPHENOL, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha 著者 Useini, A, Strater, N. 登録日 2024-05-05 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Structural Studies on the Binding Mode of Bisphenols to PPAR gamma. Biomolecules, 14, 2024
9F7H	UP1 in complex with Z45617795 分子名称: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(2-phenylethyl)methanesulfonamide 著者 Dunnett, L, Prischi, F. 登録日 2024-05-03 公開日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
9F7F	UP1 in complex with Z1491353358 分子名称: (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed 著者 Dunnett, L, Prischi, F. 登録日 2024-05-03 公開日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
9F63	Crystal structure of Saccharomyces cerevisiae pH nine-sensitive protein 1 (PNS1) 分子名称: Protein PNS1 著者 Driller, J.H, Pedersen, B.P. 登録日 2024-04-30 公開日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.73 Å) 主引用文献 S. cerevisiae pH nine-sensitive protein 1 is not a choline transporter. To Be Published
9F5K	UP1 in complex with Z33546965 分子名称: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide 著者 Dunnett, L, Prischi, F. 登録日 2024-04-29 公開日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
9F5G	UP1 in complex with EN300-115958 分子名称: 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed 著者 Dunnett, L, Prischi, F. 登録日 2024-04-28 公開日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
9F5F	UP1 in complex with Z992569480 分子名称: (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed 著者 Dunnett, L, Prischi, F. 登録日 2024-04-28 公開日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
9F5E	UP1 in complex with Z30820160 分子名称: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(4-methyl-1,3-thiazol-2-yl)propanamide 著者 Dunnett, L, Prischi, F. 登録日 2024-04-28 公開日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
9F5D	UP1 in complex with Z641230552 分子名称: 5-[(phenylmethyl)amino]-1~{H}-pyrimidine-2,4-dione, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed 著者 Dunnett, L, Prischi, F. 登録日 2024-04-28 公開日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
9F5C	UP1 in complex with Z198195770 分子名称: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-[3-(carbamoylamino)phenyl]acetamide 著者 Dunnett, L, Prischi, F. 登録日 2024-04-28 公開日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
9F55	UP1 in complex with Z235361315 分子名称: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(3-azanyl-2-methyl-phenyl)propanamide 著者 Dunnett, L, Prischi, F. 登録日 2024-04-28 公開日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
9F54	UP1 in complex with EN300-197154 分子名称: 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed 著者 Dunnett, L, Prischi, F. 登録日 2024-04-28 公開日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published

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