8W4C
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![BU of 8w4c by Molmil](/molmil-images/mine/8w4c) | The sigma-1 receptor from Xenopus laevis in complex with progesterone by soaking | Descriptor: | PROGESTERONE, Sigma non-opioid intracellular receptor 1 | Authors: | Xiao, Y, Fu, C, Sun, Z, Zhou, X. | Deposit date: | 2023-08-23 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.676 Å) | Cite: | Insight into binding of endogenous neurosteroid ligands to the sigma-1 receptor. Nat Commun, 15, 2024
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9AZA
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![BU of 9aza by Molmil](/molmil-images/mine/9aza) | Crystal structure of LolTv4 | Descriptor: | Aminotransferase, class V/Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Gao, J, Hai, Y. | Deposit date: | 2024-03-10 | Release date: | 2024-07-17 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Enzymatic Synthesis of Unprotected alpha , beta-Diamino Acids via Direct Asymmetric Mannich Reactions. J.Am.Chem.Soc., 146, 2024
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8XN7
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![BU of 8xn7 by Molmil](/molmil-images/mine/8xn7) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 9f | Descriptor: | 5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Huang, W.X, Liu, R, Ding, K. | Deposit date: | 2023-12-29 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of 5-aminopyrido[2,3-d]pyrimidin-7(8H)-one derivatives as new hematopoietic progenitor kinase 1 (HPK1) inhibitors. Eur.J.Med.Chem., 269, 2024
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8OOK
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![BU of 8ook by Molmil](/molmil-images/mine/8ook) | |
8XS4
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9B27
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![BU of 9b27 by Molmil](/molmil-images/mine/9b27) | Dia1 at the Barbed End of F-Actin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Palmer, N.J, Barrie, K.R, Dominguez, R. | Deposit date: | 2024-03-14 | Release date: | 2024-05-29 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.51 Å) | Cite: | Mechanisms of actin filament severing and elongation by formins. Nature, 632, 2024
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8OUT
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![BU of 8out by Molmil](/molmil-images/mine/8out) | CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 22 | Descriptor: | (1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol, Mitogen-activated protein kinase kinase kinase 12 | Authors: | Zebisch, M, Akkermans, O, Barker, J.J, Cross, J.B. | Deposit date: | 2023-04-24 | Release date: | 2023-07-26 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.935 Å) | Cite: | Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy. J.Med.Chem., 66, 2023
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8W4B
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![BU of 8w4b by Molmil](/molmil-images/mine/8w4b) | The sigma-1 receptor from Xenopus laevis in complex with progesterone by co-crystallization | Descriptor: | PROGESTERONE, Sigma non-opioid intracellular receptor 1 | Authors: | Xiao, Y, Fu, C, Sun, Z, Zhou, X. | Deposit date: | 2023-08-23 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.152 Å) | Cite: | Insight into binding of endogenous neurosteroid ligands to the sigma-1 receptor. Nat Commun, 15, 2024
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9CBE
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9BUV
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8WUE
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9BD0
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![BU of 9bd0 by Molmil](/molmil-images/mine/9bd0) | |
8P3O
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8XW1
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![BU of 8xw1 by Molmil](/molmil-images/mine/8xw1) | Cryo-EM structure of OSCA1.2-V335W-DDM state | Descriptor: | Calcium permeable stress-gated cation channel 1 | Authors: | Zhang, Y, Han, Y. | Deposit date: | 2024-01-15 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.49 Å) | Cite: | Mechanical activation opens a lipid-lined pore in OSCA ion channels. Nature, 628, 2024
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8YPJ
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9FZ4
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8WV5
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![BU of 8wv5 by Molmil](/molmil-images/mine/8wv5) | C-reactive protein, decamer | Descriptor: | C-reactive protein(1-205), CALCIUM ION | Authors: | Yadav, S, Vinothkumar, K.R. | Deposit date: | 2023-10-23 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Factors affecting macromolecule orientations in thin films formed in cryo-EM. Acta Crystallogr D Struct Biol, 80, 2024
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8P25
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![BU of 8p25 by Molmil](/molmil-images/mine/8p25) | Solution structure of a chimeric U2AF2 RRM2 / FUBP1 N-Box | Descriptor: | Splicing factor U2AF 65 kDa subunit,Far upstream element-binding protein 1 | Authors: | Hipp, C, Sattler, M. | Deposit date: | 2023-05-14 | Release date: | 2023-07-26 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | FUBP1 is a general splicing factor facilitating 3' splice site recognition and splicing of long introns. Mol.Cell, 83, 2023
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8VJ1
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![BU of 8vj1 by Molmil](/molmil-images/mine/8vj1) | Structure of C-terminal domain of telomere resolvase, ResT, from Borrelia garinii | Descriptor: | Telomere resolvase ResT | Authors: | Semper, C, Savchenko, A, Watanabe, N, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-01-05 | Release date: | 2024-07-17 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structure analysis of the telomere resolvase from the Lyme disease spirochete Borrelia garinii reveals functional divergence of its C-terminal domain. Nucleic Acids Res., 52, 2024
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8Y8Z
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![BU of 8y8z by Molmil](/molmil-images/mine/8y8z) | Structure of NET-Maprotiline in outward-open state | Descriptor: | CHLORIDE ION, SODIUM ION, Sodium-dependent noradrenaline transporter, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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9ERO
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![BU of 9ero by Molmil](/molmil-images/mine/9ero) | |
8W4E
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8P8C
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![BU of 8p8c by Molmil](/molmil-images/mine/8p8c) | HUMAN CD38 ECTODOMAIN BOUND TO COMPOUND 9-ADPR ADDUCT | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-2-oxidanylidene-quinolin-6-yl]pyrazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Rangel, V, Zebisch, M, Doyle, K.J, Burli, R.W. | Deposit date: | 2023-05-31 | Release date: | 2023-07-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | A Covalent Binding Mode of a Pyrazole-Based CD38 Inhibitor Helv.Chim.Acta, 106, 2023
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8WXF
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![BU of 8wxf by Molmil](/molmil-images/mine/8wxf) | PNPase of Mycobacterium tuberculosis | Descriptor: | Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase | Authors: | Wang, N, Sheng, Y.N, Liu, Y.T. | Deposit date: | 2023-10-29 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation. Arch.Biochem.Biophys., 754, 2024
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9FE0
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![BU of 9fe0 by Molmil](/molmil-images/mine/9fe0) | Crystal Structure of reduced NuoEF variant R66G(NuoF) from Aquifex aeolicus bound to NAD+ | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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