8YXP
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![BU of 8yxp by Molmil](/molmil-images/mine/8yxp) | Structure of mumps virus L protein (state2) | Descriptor: | RNA-directed RNA polymerase L, ZINC ION | Authors: | Li, T.H, Shen, Q.T. | Deposit date: | 2024-04-02 | Release date: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Structures of the mumps virus polymerase complex via cryo-electron microscopy. Nat Commun, 15, 2024
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8WLL
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![BU of 8wll by Molmil](/molmil-images/mine/8wll) | Cryo-EM structure of human VMAT2 Y422C, in the presence of reserpine, determined in an inward-facing conformation | Descriptor: | Synaptic vesicular amine transporter, reserpine | Authors: | Qu, Q, Wang, Y, Zhou, Z. | Deposit date: | 2023-09-30 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Cryo-EM structure of human VMAT2 Y422C, in the presence of reserpine, determined in an inward-facing conformation To Be Published
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9FIL
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![BU of 9fil by Molmil](/molmil-images/mine/9fil) | Crystal Structure of reduced NuoEF variant E222K(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: | 2024-05-29 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.54 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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8W5B
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![BU of 8w5b by Molmil](/molmil-images/mine/8w5b) | Crystal Structure of the shaft pilin LrpA from Ligilactobacillus ruminis | Descriptor: | IODIDE ION, LPXTG-motif cell wall anchor domain protein | Authors: | Prajapati, A, Palva, A, von Ossowski, I, Krishnan, V. | Deposit date: | 2023-08-26 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | The crystal structure of the N-terminal domain of the backbone pilin LrpA reveals a new closure-and-twist motion for assembling dynamic pili in Ligilactobacillus ruminis. Acta Crystallogr D Struct Biol, 80, 2024
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9FE8
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![BU of 9fe8 by Molmil](/molmil-images/mine/9fe8) | Crystal Structure of reduced NuoEF variant P228R(NuoF) from Aquifex aeolicus | 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, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 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 (2.34 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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8X8S
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![BU of 8x8s by Molmil](/molmil-images/mine/8x8s) | Crystal structure of Cypovirus Polyhedra mutant fused with c-Myc fragment | Descriptor: | Polyhedrin,Myc proto-oncogene protein | Authors: | Kojima, M, Ueno, T, Abe, S, Hirata, K. | Deposit date: | 2023-11-28 | Release date: | 2024-06-05 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | High-throughput structure determination of an intrinsically disordered protein using cell-free protein crystallization. Proc.Natl.Acad.Sci.USA, 121, 2024
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8X5B
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![BU of 8x5b by Molmil](/molmil-images/mine/8x5b) | Cryo-EM structures of human XPR1 in closed states | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHOLESTEROL, PHOSPHATE ION, ... | Authors: | Jiang, D.H, Yan, R. | Deposit date: | 2023-11-16 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | STRUCTURE OF TRANSPORT To Be Published
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9FIF
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![BU of 9fif by Molmil](/molmil-images/mine/9fif) | Crystal Structure of NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-29 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.77 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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9BVU
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![BU of 9bvu by Molmil](/molmil-images/mine/9bvu) | NMR structure of TLP-2 in solution | Descriptor: | Temporin-1Tl | Authors: | Jia, R, McShan, A.C. | Deposit date: | 2024-05-20 | Release date: | 2024-06-05 | Method: | SOLUTION NMR | Cite: | Design and Development of Temporin L Analogues to Inhibit the Main Protease of SARS-CoV-2 To Be Published
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8W0R
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![BU of 8w0r by Molmil](/molmil-images/mine/8w0r) | Human EBP complexed with compound 1 | Descriptor: | 1-methyl-1'-[(oxan-4-yl)methyl]-5-(trifluoromethyl)spiro[indole-2,4'-piperidin]-3(1H)-one, 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Authors: | Sun, D, Masureel, M. | Deposit date: | 2024-02-14 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Discovery and Optimization of Selective Brain-Penetrant EBP Inhibitors that Enhance Oligodendrocyte Formation. J.Med.Chem., 67, 2024
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8ZEY
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![BU of 8zey by Molmil](/molmil-images/mine/8zey) | Anti-CRISPR type I subtype E3;AcrIE3 | Descriptor: | AcrIE3 | Authors: | Kim, D.Y, Park, H.H. | Deposit date: | 2024-05-07 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.734 Å) | Cite: | Novel structure of the anti-CRISPR protein AcrIE3 and its implication on the CRISPR-Cas inhibition. Biochem.Biophys.Res.Commun., 722, 2024
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9AT3
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![BU of 9at3 by Molmil](/molmil-images/mine/9at3) | Crystal structure of SARS-CoV-2 3CL protease in complex with an ethylcyclohexyl 2-pyrrolidone inhibitor | Descriptor: | (1R,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
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8WJL
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![BU of 8wjl by Molmil](/molmil-images/mine/8wjl) | Cryo-EM structure of 6-subunit Smc5/6 hinge region | Descriptor: | E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6 | 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 (6.15 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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9B5E
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![BU of 9b5e by Molmil](/molmil-images/mine/9b5e) | |
9ATI
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![BU of 9ati by Molmil](/molmil-images/mine/9ati) | Crystal structure of MERS 3CL protease in complex with a racemic bicyclo[2.2.1]heptenyl-methyl 2-pyrrolidone inhibitor | Descriptor: | (1R,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
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8WYB
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![BU of 8wyb by Molmil](/molmil-images/mine/8wyb) | Cryo-EM structure of DSR2 (H171A)-tube-NAD+ complex | Descriptor: | Bacillus phage SPR Tube protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SIR2-like domain-containing protein | Authors: | Zhang, J.T, Jia, N, Liu, X.Y. | Deposit date: | 2023-10-30 | Release date: | 2024-04-10 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system. Nat Commun, 15, 2024
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8OO2
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![BU of 8oo2 by Molmil](/molmil-images/mine/8oo2) | ChdA complex with amido-chelocardin | Descriptor: | 2-carboxamido-2-deacetyl-chelocardin, MAGNESIUM ION, Putative transcriptional regulator | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2023-04-04 | Release date: | 2023-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Revision of the Absolute Configurations of Chelocardin and Amidochelocardin. Angew.Chem.Int.Ed.Engl., 62, 2023
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8WIG
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![BU of 8wig by Molmil](/molmil-images/mine/8wig) | Crystal structure of E. coli ThrS catalytic domain mutant G463S/Q484A | Descriptor: | Threonine--tRNA ligase, ZINC ION | Authors: | Qiao, H, Wang, Z, Wang, J, Fang, P. | Deposit date: | 2023-09-24 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase. Commun Biol, 7, 2024
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9ATG
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![BU of 9atg by Molmil](/molmil-images/mine/9atg) | Crystal structure of MERS 3CL protease in complex with a 2,2-difluoro-5-methylbenzo[1,3]dioxole 2-pyrrolidone inhibitor | Descriptor: | (1R,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
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8XAJ
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![BU of 8xaj by Molmil](/molmil-images/mine/8xaj) | Cryo-EM structure of OSCA1.2-liposome-inside-in open state | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Calcium permeable stress-gated cation channel 1 | Authors: | Zhang, Y, Han, Y. | Deposit date: | 2023-12-04 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Mechanical activation opens a lipid-lined pore in OSCA ion channels. Nature, 628, 2024
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9F4R
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![BU of 9f4r by Molmil](/molmil-images/mine/9f4r) | UP1 in complex with Z802821712 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-ethyl-6-methylpyridazin-3-amine | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.59 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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8OQW
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![BU of 8oqw by Molmil](/molmil-images/mine/8oqw) | Crystal structure of Tannerella forsythia MurNAc kinase MurK | Descriptor: | ATPase, GLYCEROL, SULFATE ION | Authors: | Gogler, K, Fink, P, Stasiak, A.C, Stehle, T, Zocher, G. | Deposit date: | 2023-04-12 | Release date: | 2023-08-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia. J.Biol.Chem., 299, 2023
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9EO9
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![BU of 9eo9 by Molmil](/molmil-images/mine/9eo9) | SF type tau filament from V337M mutant | Descriptor: | Isoform Tau-F of Microtubule-associated protein tau | Authors: | Qi, C, Scheres, S.H.W, Michel, G. | Deposit date: | 2024-03-14 | Release date: | 2024-07-10 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Tau filaments with the Alzheimer fold in cases with MAPT mutations V337M and R406W. Biorxiv, 2024
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8ZN1
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![BU of 8zn1 by Molmil](/molmil-images/mine/8zn1) | Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | Deposit date: | 2024-05-25 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution To Be Published
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9FWC
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![BU of 9fwc by Molmil](/molmil-images/mine/9fwc) | Coxsackievirus B3 3C protease in C121 spacegroup | Descriptor: | Genome polyprotein | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-28 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Coxsackievirus B3 3C protease in C121 spacegroup To Be Published
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