8WB6
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8WOW
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![BU of 8wow by Molmil](/molmil-images/mine/8wow) | Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, I160L/G233A mutant | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, UDP-glucose 4-epimerase 2, ... | Authors: | Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S. | Deposit date: | 2023-10-08 | Release date: | 2024-05-15 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis. Plant J., 119, 2024
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8YXM
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8VW5
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![BU of 8vw5 by Molmil](/molmil-images/mine/8vw5) | Crystal structure of Cbl-b TKB bound to compound 2 | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase CBL-B, MAGNESIUM ION, ... | Authors: | Yu, C, Murray, J, Hsu, P.L. | Deposit date: | 2024-01-31 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding. Acs Med.Chem.Lett., 15, 2024
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8OZA
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![BU of 8oza by Molmil](/molmil-images/mine/8oza) | Human cathepsin L in complex with covalently bound CA-074 methyl ester | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cathepsin L, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Ewert, W, Reinke, P.Y.A, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2023-05-08 | Release date: | 2023-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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8XOV
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![BU of 8xov by Molmil](/molmil-images/mine/8xov) | The Crystal Structure of N-terminal kinase domain of human RSK-1 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1 | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B. | Deposit date: | 2024-01-02 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The Crystal Structure of N-terminal kinase domain of human RSK-1 from Biortus. To Be Published
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9F4Y
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![BU of 9f4y by Molmil](/molmil-images/mine/9f4y) | UP1 in complex with Z90120418 | Descriptor: | 1-(3,4,5-trimethoxyphenyl)methanamine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 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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8P9F
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![BU of 8p9f by Molmil](/molmil-images/mine/8p9f) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-06 | Release date: | 2023-07-05 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8ZNE
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8OUV
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![BU of 8ouv by Molmil](/molmil-images/mine/8ouv) | Crystal structure of D1228V c-MET bound by compound 15 | Descriptor: | 5-(1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, CHLORIDE ION, Hepatocyte growth factor receptor | Authors: | Collie, G.W. | Deposit date: | 2023-04-24 | Release date: | 2023-07-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.783 Å) | Cite: | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor. J.Med.Chem., 66, 2023
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8VKT
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![BU of 8vkt by Molmil](/molmil-images/mine/8vkt) | Crystallographic structure of dimetalated DapE from Enterococcus faecium | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Probable succinyl-diaminopimelate desuccinylase, ... | Authors: | Gonzalez-Segura, L, Diaz-Vilchis, A, Terrazas-Lopez, M, Diaz-Sanchez, A.G. | Deposit date: | 2024-01-09 | Release date: | 2024-05-29 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.398 Å) | Cite: | The three-dimensional structure of DapE from Enterococcus faecium reveals new insights into DapE/ArgE subfamily ligand specificity. Int.J.Biol.Macromol., 270, 2024
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9BIV
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8YEA
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9IJC
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8P9L
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![BU of 8p9l by Molmil](/molmil-images/mine/8p9l) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB512 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-06 | Release date: | 2023-07-05 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8WJO
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![BU of 8wjo by Molmil](/molmil-images/mine/8wjo) | Cryo-EM structure of 8-subunit Smc5/6 arm region | Descriptor: | DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, ... | Authors: | Li, Q, Zhang, J, Zhang, X, Cheng, T, Wang, Z, Jin, D, Chen, Z, Wang, L. | Deposit date: | 2023-09-26 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (6.04 Å) | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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9F4F
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![BU of 9f4f by Molmil](/molmil-images/mine/9f4f) | UP1 in complex with Z86417414 | Descriptor: | 2-fluoranyl-~{N}-(1,3,4-thiadiazol-2-yl)benzamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-27 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 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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8P0S
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![BU of 8p0s by Molmil](/molmil-images/mine/8p0s) | Crystal structure HR1 domain of Rho-associated coiled-coil protein kinases (ROCK-HR1) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Rho-associated protein kinase 1 | Authors: | Dubey, B.N, Dvorsky, R, Gremer, L, Vetter, I.R, Schmitt, L, Groth, G, Ahmadian, M.R. | Deposit date: | 2023-05-10 | Release date: | 2023-06-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional insights into the p160 Rho-associated coiled-coil-containing protein kinase To Be Published
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9EO0
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![BU of 9eo0 by Molmil](/molmil-images/mine/9eo0) | Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 | Descriptor: | Programmed cell death 1 ligand 1, SULFATE ION, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide | Authors: | Plewka, J, Hec, A, Sitar, T, Holak, T. | Deposit date: | 2024-03-14 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction. Acs Med.Chem.Lett., 15, 2024
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8Z1E
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![BU of 8z1e by Molmil](/molmil-images/mine/8z1e) | A homotrimeric GPCR architecture of the human cytomegalovirus (UL78) revealed by cryo-EM | Descriptor: | Uncharacterized protein UL78 | Authors: | Chen, Y, Li, Y, Zhou, Q, Cong, Z, Lin, S, Yan, J, Chen, X, Yang, D, Ying, T, Wang, M.-W. | Deposit date: | 2024-04-11 | Release date: | 2024-05-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | A homotrimeric GPCR architecture of the human cytomegalovirus revealed by cryo-EM. Cell Discov, 10, 2024
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8YCM
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![BU of 8ycm by Molmil](/molmil-images/mine/8ycm) | Monomeric Human STK19 | Descriptor: | Isoform 4 of Inactive serine/threonine-protein kinase 19, SULFATE ION | Authors: | Li, J, Ma, X, Dong, Z. | Deposit date: | 2024-02-18 | Release date: | 2024-03-06 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Mutations found in cancer patients compromise DNA binding of the winged helix protein STK19. Sci Rep, 14, 2024
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9CGM
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![BU of 9cgm by Molmil](/molmil-images/mine/9cgm) | The Structure of Spiroplasma Virus 4 | Descriptor: | Capsid protein VP1, DNA binding protein ORF8 | Authors: | Mietzsch, M, McKenna, R. | Deposit date: | 2024-06-30 | Release date: | 2024-07-17 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (2.52 Å) | Cite: | The Structure of Spiroplasma Virus 4 : Exploring the Capsid Diversity of the Microviridae. Viruses, 16, 2024
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9F4Q
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![BU of 9f4q by Molmil](/molmil-images/mine/9f4q) | UP1 in complex with Z641239276 | Descriptor: | 5-(2-phenylethylamino)pyrimidine-2,4-diol, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 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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8WT4
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8YIB
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![BU of 8yib by Molmil](/molmil-images/mine/8yib) | Staphylococcus aureus lipase -PSA complex - covalent bonding state | Descriptor: | ACETIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kitadokoro, J, Kamitani, S, Kitadokoro, K. | Deposit date: | 2024-02-29 | Release date: | 2024-06-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal structure of Staphylococcus aureus lipase complex with unsaturated petroselinic acid. Febs Open Bio, 14, 2024
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