8YXP
 
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9FIL
 | | Crystal Structure of reduced NuoEF variant E222K(NuoF) from Aquifex aeolicus bound to NAD+ | | 分子名称: | 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, ... | | 著者 | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | | 登録日 | 2024-05-29 | | 公開日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
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8W5B
 | | Crystal Structure of the shaft pilin LrpA from Ligilactobacillus ruminis | | 分子名称: | IODIDE ION, LPXTG-motif cell wall anchor domain protein | | 著者 | Prajapati, A, Palva, A, von Ossowski, I, Krishnan, V. | | 登録日 | 2023-08-26 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | 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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8WLL
 | | Cryo-EM structure of human VMAT2 Y422C, in the presence of reserpine, determined in an inward-facing conformation | | 分子名称: | Synaptic vesicular amine transporter, reserpine | | 著者 | Qu, Q, Wang, Y, Zhou, Z. | | 登録日 | 2023-09-30 | | 公開日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.74 Å) | | 主引用文献 | 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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9FE8
 | | Crystal Structure of reduced NuoEF variant P228R(NuoF) from Aquifex aeolicus | | 分子名称: | 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, ... | | 著者 | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | | 登録日 | 2024-05-17 | | 公開日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
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8X8S
 | | Crystal structure of Cypovirus Polyhedra mutant fused with c-Myc fragment | | 分子名称: | Polyhedrin,Myc proto-oncogene protein | | 著者 | Kojima, M, Ueno, T, Abe, S, Hirata, K. | | 登録日 | 2023-11-28 | | 公開日 | 2024-06-05 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | 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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9BVU
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9FIF
 | | Crystal Structure of NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | | 登録日 | 2024-05-29 | | 公開日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
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8W0R
 | | Human EBP complexed with compound 1 | | 分子名称: | 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 | | 著者 | Sun, D, Masureel, M. | | 登録日 | 2024-02-14 | | 公開日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | 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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9AT3
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with an ethylcyclohexyl 2-pyrrolidone inhibitor | | 分子名称: | (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, ... | | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 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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8OO2
 | | ChdA complex with amido-chelocardin | | 分子名称: | 2-carboxamido-2-deacetyl-chelocardin, MAGNESIUM ION, Putative transcriptional regulator | | 著者 | Koehnke, J, Sikandar, A. | | 登録日 | 2023-04-04 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Revision of the Absolute Configurations of Chelocardin and Amidochelocardin.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8WYB
 | | Cryo-EM structure of DSR2 (H171A)-tube-NAD+ complex | | 分子名称: | Bacillus phage SPR Tube protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SIR2-like domain-containing protein | | 著者 | Zhang, J.T, Jia, N, Liu, X.Y. | | 登録日 | 2023-10-30 | | 公開日 | 2024-04-10 | | 最終更新日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | | 主引用文献 | Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system.
Nat Commun, 15, 2024
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9ATI
 | | Crystal structure of MERS 3CL protease in complex with a racemic bicyclo[2.2.1]heptenyl-methyl 2-pyrrolidone inhibitor | | 分子名称: | (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 | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | 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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9B5E
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8WJL
 | | Cryo-EM structure of 6-subunit Smc5/6 hinge region | | 分子名称: | E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6 | | 著者 | Li, Q, Zhang, J, Zhang, X, Cheng, T, Wang, Z, Jin, D, Chen, Z, Wang, L. | | 登録日 | 2023-09-26 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (6.15 Å) | | 主引用文献 | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
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8WIG
 | | Crystal structure of E. coli ThrS catalytic domain mutant G463S/Q484A | | 分子名称: | Threonine--tRNA ligase, ZINC ION | | 著者 | Qiao, H, Wang, Z, Wang, J, Fang, P. | | 登録日 | 2023-09-24 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | | 主引用文献 | Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase.
Commun Biol, 7, 2024
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9F4R
 | | UP1 in complex with Z802821712 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-ethyl-6-methylpyridazin-3-amine | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.59 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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8XAJ
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9ATG
 | | Crystal structure of MERS 3CL protease in complex with a 2,2-difluoro-5-methylbenzo[1,3]dioxole 2-pyrrolidone inhibitor | | 分子名称: | (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 | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | 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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8OQW
 | | Crystal structure of Tannerella forsythia MurNAc kinase MurK | | 分子名称: | ATPase, GLYCEROL, SULFATE ION | | 著者 | Gogler, K, Fink, P, Stasiak, A.C, Stehle, T, Zocher, G. | | 登録日 | 2023-04-12 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
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8ZN1
 | | Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution | | 分子名称: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | 著者 | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | | 登録日 | 2024-05-25 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution
To Be Published
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9EO9
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9FWC
 | | Coxsackievirus B3 3C protease in C121 spacegroup | | 分子名称: | Genome polyprotein | | 著者 | 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. | | 登録日 | 2024-06-28 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Coxsackievirus B3 3C protease in C121 spacegroup
To Be Published
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