9F4S
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![BU of 9f4s by Molmil](/molmil-images/mine/9f4s) | UP1 in complex with Z56880342 | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea | 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
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9F50
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![BU of 9f50 by Molmil](/molmil-images/mine/9f50) | UP1 in complex with Z906021418 | 分子名称: | 5-chloro-2-(propan-2-yl)pyrimidine-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 (1.5 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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9B0B
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9F51
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![BU of 9f51 by Molmil](/molmil-images/mine/9f51) | UP1 in complex with Z608065044 | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide | 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 (1.5 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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8ZJL
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![BU of 8zjl by Molmil](/molmil-images/mine/8zjl) | Structure of DOCK5/ELMO1/Rac1 core (RhoG/DOCK5/ELMO1/Rac1 dataset, class 4) | 分子名称: | Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1 | 著者 | Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M. | 登録日 | 2024-05-15 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (4.31 Å) | 主引用文献 | RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state. J.Biol.Chem., 300, 2024
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8Y1E
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![BU of 8y1e by Molmil](/molmil-images/mine/8y1e) | 3up-TM conformation of HKU1-B S protein after incubation of the receptor | 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, Spike glycoprotein, ... | 著者 | Xia, L.Y, Zhang, Y.Y, Zhou, Q. | 登録日 | 2024-01-24 | 公開日 | 2024-05-01 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Structural basis for the recognition of HCoV-HKU1 by human TMPRSS2. Cell Res., 34, 2024
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9G2A
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![BU of 9g2a by Molmil](/molmil-images/mine/9g2a) | Staphylococcus aureus MazF in complex with nanobody 4 | 分子名称: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endoribonuclease MazF, ... | 著者 | Prolic-Kalinsek, M, Zorzini, V, Haesaerts, S, Loris, R. | 登録日 | 2024-07-10 | 公開日 | 2024-07-17 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (2.046594 Å) | 主引用文献 | Staphylococcus aureus MazF in complex with nanobody 4. To Be Published
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9F5F
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![BU of 9f5f by Molmil](/molmil-images/mine/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
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9F5G
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![BU of 9f5g by Molmil](/molmil-images/mine/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
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9ATW
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![BU of 9atw by Molmil](/molmil-images/mine/9atw) | Structure of biofilm-forming functional amyloid PSMa1 from Staphylococcus aureus | 分子名称: | Phenol-soluble modulin alpha 1 peptide | 著者 | Hansen, K.H, Byeon, C.H, Liu, Q, Drace, T, Boesen, T, Conway, J.F, Andreasen, M, Akbey, U. | 登録日 | 2024-02-27 | 公開日 | 2024-08-07 | 最終更新日 | 2024-08-14 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structure of biofilm-forming functional amyloid PSMa1 from Staphylococcus aureus Proceedings of the National Academy of Sciences of the United States of America, 2024
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8ZNE
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9BBL
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9F4H
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![BU of 9f4h by Molmil](/molmil-images/mine/9f4h) | UP1 in complex with Z106579662 | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone | 著者 | Dunnett, L, Prischi, F. | 登録日 | 2024-04-27 | 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
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9F4U
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![BU of 9f4u by Molmil](/molmil-images/mine/9f4u) | UP1 in complex with Z111529496 | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide | 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
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8YM7
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![BU of 8ym7 by Molmil](/molmil-images/mine/8ym7) | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with JH-45 | 分子名称: | 4-[5-(4-azanylpiperidin-1-yl)-8-(4-methylphenyl)pyrido[3,4-b]pyrazin-7-yl]-2-fluoranyl-benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | 著者 | Zhiyan, D, Danyan, C, Hong, J, Tongchao, L, Bing, X. | 登録日 | 2024-03-08 | 公開日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Discovery of Novel LSD1 Inhibitors for the Treatment of Autosomal Dominant Polycystic Kidney Disease To Be Published
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9F54
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![BU of 9f54 by Molmil](/molmil-images/mine/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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9C9M
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![BU of 9c9m by Molmil](/molmil-images/mine/9c9m) | HIV-1 intasome core bound with DTG | 分子名称: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, Integrase, MAGNESIUM ION, ... | 著者 | Li, M, Craigie, R. | 登録日 | 2024-06-14 | 公開日 | 2024-07-31 | 最終更新日 | 2024-08-07 | 実験手法 | ELECTRON MICROSCOPY (2.01 Å) | 主引用文献 | HIV-1 Intasomes Assembled with Excess Integrase C-Terminal Domain Protein Facilitate Structural Studies by Cryo-EM and Reveal the Role of the Integrase C-Terminal Tail in HIV-1 Integration. Viruses, 16, 2024
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9F99
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![BU of 9f99 by Molmil](/molmil-images/mine/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 | 最終更新日 | 2024-07-31 | 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., 15, 2024
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9F5K
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![BU of 9f5k by Molmil](/molmil-images/mine/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
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9ENQ
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![BU of 9enq by Molmil](/molmil-images/mine/9enq) | HSV-1 DNA polymerase-processivity factor complex in exonuclease state active site with 1-bp DNA mismatch | 分子名称: | CALCIUM ION, DNA (46-MER), DNA (67-MER), ... | 著者 | Gustavsson, E, Grunewald, K, Elias, P, Hallberg, B.M. | 登録日 | 2024-03-13 | 公開日 | 2024-05-29 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.12 Å) | 主引用文献 | Dynamics of the Herpes simplex virus DNA polymerase holoenzyme during DNA synthesis and proof-reading revealed by Cryo-EM. Nucleic Acids Res., 52, 2024
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9EY7
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9B37
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![BU of 9b37 by Molmil](/molmil-images/mine/9b37) | Open state of kainate receptor GluK2 in complex with agonist glutamate and positive allosteric modulator BPAM344 bound to one concanavalin A dimer. Composite map. | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Nadezhdin, K.D, Gangwar, S.P, Sobolevsky, A.I. | 登録日 | 2024-03-18 | 公開日 | 2024-05-22 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (6.66 Å) | 主引用文献 | Kainate receptor channel opening and gating mechanism. Nature, 630, 2024
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9C0D
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![BU of 9c0d by Molmil](/molmil-images/mine/9c0d) | E.Faecium GroEL | 分子名称: | Chaperonin GroEL | 著者 | Watson, E.R, Lander, G.C. | 登録日 | 2024-05-25 | 公開日 | 2024-08-07 | 最終更新日 | 2024-08-14 | 実験手法 | ELECTRON MICROSCOPY (3.97 Å) | 主引用文献 | Bis-sulfonamido-2-phenylbenzoxazoles Validate the GroES/EL Chaperone System as a Viable Antibiotic Target. J.Am.Chem.Soc., 146, 2024
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9C0Z
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![BU of 9c0z by Molmil](/molmil-images/mine/9c0z) | Clathrin terminal domain complexed with pitstop 2d | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | 著者 | Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V. | 登録日 | 2024-05-28 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function To Be Published
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9FZ4
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![BU of 9fz4 by Molmil](/molmil-images/mine/9fz4) | |