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8VQM
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Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R prime
分子名称: (S~1~S,3R)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lin, T.H, Zhu, Y, Wilson, I.A.
登録日2024-01-18
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8W9W
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BU of 8w9w by Molmil
The cryo-EM structure of human sphingomyelin synthase-related protein in complex with ceramide/phosphoethanolamine
分子名称: PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Sphingomyelin synthase-related protein 1, ~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide
著者Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y.
登録日2023-09-06
公開日2024-02-28
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis.
Nat.Struct.Mol.Biol., 31, 2024
8TND
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De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo veliparib
分子名称: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, De novo designed protein, SULFATE ION
著者Lu, L, DeGrado, W.F.
登録日2023-08-01
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TNB
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De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo mefuparib
分子名称: 5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide, De novo designed protein
著者Lu, L, DeGrado, W.F.
登録日2023-08-01
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8URN
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BU of 8urn by Molmil
Crystal structure of EscI(51-87)-linker-EtgA(18-152) fusion protein
分子名称: EscI inner rod protein type III secretion system,EtgA protein, SULFATE ION
著者van den Akker, F.
登録日2023-10-26
公開日2024-02-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural insights into peptidoglycan glycosidase EtgA binding to the inner rod protein EscI of the type III secretion system via a designed EscI-EtgA fusion protein.
Protein Sci., 33, 2024
8VSU
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BU of 8vsu by Molmil
Cryo-EM structure of LKB1-STRADalpha-MO25alpha heterocomplex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Calcium-binding protein 39, Isoform 3 of STE20-related kinase adapter protein alpha, ...
著者Chan, L.M, Courteau, B.J, Verba, K.A.
登録日2024-01-24
公開日2024-07-10
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献High-resolution single-particle imaging at 100-200 keV with the Gatan Alpine direct electron detector.
J.Struct.Biol., 216, 2024
9EZZ
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BU of 9ezz by Molmil
Bacterial histone protein HBb from Bdellovibrio bacteriovorus bound to DNA
分子名称: DNA (5'-D(P*AP*GP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*CP*T)-3'), PHOSPHATE ION, ...
著者Hu, Y, Albrecht, R, Hartmann, M.D.
登録日2024-04-14
公開日2024-06-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Bacterial histone HBb from Bdellovibrio bacteriovorus compacts DNA by bending.
Nucleic Acids Res., 2024
8Z5L
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Crystal structure of metallo-beta-lactamse, IMP-1, complexed with a quinolinone-based inhibitor
分子名称: 3-[2-azanyl-5-[2-cyclohexylethyl-[3-(4-methylphenoxy)propyl]amino]phenyl]propanoic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Kamo, T, Kuroda, K, Nimura, S, Guo, Y, Kondo, S, Nukaga, M, Hoshino, T.
登録日2024-04-18
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Development of Inhibitory Compounds for Metallo-beta-lactamase through Computational Design and Crystallographic Analysis.
Biochemistry, 63, 2024
8W75
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BU of 8w75 by Molmil
Structure of Drosophila melanogaster L-2-hydroxyglutarate dehydrogenase
分子名称: DODECYL-BETA-D-MALTOSIDE, FI05204p, FLAVIN-ADENINE DINUCLEOTIDE
著者Yang, J, Chen, X, Jin, S, Ding, J.
登録日2023-08-30
公開日2023-11-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure and biochemical characterization of l-2-hydroxyglutarate dehydrogenase and its role in the pathogenesis of l-2-hydroxyglutaric aciduria.
J.Biol.Chem., 300, 2023
8VQ3
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BU of 8vq3 by Molmil
CDK2-CyclinE1 in complex with allosteric inhibitor I-198.
分子名称: (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B.
登録日2024-01-17
公開日2024-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
8VE4
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BU of 8ve4 by Molmil
Unliganded human transthyretin in the frayed conformation
分子名称: Transthyretin
著者Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C.
登録日2023-12-18
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
9FE6
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BU of 9fe6 by Molmil
Short-chain dehydrogenase/reductase (SDR) from Thermus caliditerrae
分子名称: MAGNESIUM ION, SDR family oxidoreductase
著者Kapur, B, Nar, H.
登録日2024-05-17
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.875 Å)
主引用文献In silico enzyme screening identifies an SDR ketoreductase from Thermus caliditerrae as an attractive biocatalyst and promising candidate for protein engineering
Front Chem Biol, 2024
8V1I
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BU of 8v1i by Molmil
Crystal structure of human mascRNA
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Skeparnias, I, Zhang, J.
登録日2023-11-20
公開日2024-07-10
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of MALAT1 RNA maturation and mascRNA biogenesis.
Nat.Struct.Mol.Biol., 2024
8V9K
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BU of 8v9k by Molmil
Cryo-EM structure of the Mycobacterium smegmatis 70S ribosome in complex with hibernation factor Rv2629 (Balon) (Structure 5)
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S2, ...
著者Rybak, M.Y, Helena-Bueno, K, Hill, C.H, Melnikov, S.V, Gagnon, M.G.
登録日2023-12-08
公開日2024-02-07
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A new family of bacterial ribosome hibernation factors.
Nature, 626, 2024
8VKQ
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BU of 8vkq by Molmil
CW Flagellar Switch Complex - FliF, FliG, FliM, and FliN forming the C-ring from Salmonella
分子名称: Flagellar M-ring protein, Flagellar motor switch protein FliG, Flagellar motor switch protein FliM, ...
著者Singh, P.K, Iverson, T.M.
登録日2024-01-09
公開日2024-02-28
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structural basis for rotation and directional switching by the combined MS- and C-rings of bacterial flagella.
To Be Published
8V61
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BU of 8v61 by Molmil
UIC-1 mutant - UIC-1-L6I
分子名称: UIC-1-L6I
著者Heinz-Kunert, S.L.
登録日2023-12-01
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Pore Restructuring of Peptide Frameworks by Mutations at Distal Packing Residues.
Biomacromolecules, 25, 2024
8V5X
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BU of 8v5x by Molmil
UIC-1 mutant - UIC-1-L6A
分子名称: ACETONITRILE, UIC-1-L6A
著者Heinz-Kunert, S.L.
登録日2023-12-01
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Pore Restructuring of Peptide Frameworks by Mutations at Distal Packing Residues.
Biomacromolecules, 25, 2024
8U51
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BU of 8u51 by Molmil
Klebsiella pneumoniae SUMO-loaded encapsulin shell
分子名称: Klebsiella pneumoniae family 1 encapsulin shell, SUMO-targeting peptide fusion protein
著者Andreas, M.P, Jones, J.A, Giessen, T.W.
登録日2023-09-11
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (2.41 Å)
主引用文献Structural basis for peroxidase encapsulation inside the encapsulin from the Gram-negative pathogen Klebsiella pneumoniae.
Nat Commun, 15, 2024
8UKS
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BU of 8uks by Molmil
RNA polymerase II elongation complex with Fapy-dG lesion soaking with CTP before chemistry
分子名称: CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
著者Hou, P, Oh, J, Wang, D.
登録日2023-10-15
公開日2024-04-24
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG.
J.Am.Chem.Soc., 146, 2024
8VQN
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BU of 8vqn by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R
分子名称: (S~1~S,3R)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Lin, T.H, Zhu, Y, Wilson, I.A.
登録日2024-01-18
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8VSP
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BU of 8vsp by Molmil
Cryo-EM structure of human invariant chain in complex with HLA-DQ
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen gamma chain, HLA class II histocompatibility antigen, ...
著者Wang, N, Caveney, N.A, Jude, K.M, Garcia, K.C.
登録日2024-01-24
公開日2024-05-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Structural insights into human MHC-II association with invariant chain.
Proc.Natl.Acad.Sci.USA, 121, 2024
8YJI
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BU of 8yji by Molmil
Room temperature structure of xylanase from Trichoderma longibrachiatum
分子名称: Endo-1,4-beta-xylanase
著者Nam, K.H.
登録日2024-03-02
公開日2024-03-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Temperature-dependent structural changes in xylanase II from Trichoderma longibrachiatum.
Carbohydr.Res., 541, 2024
8ZQ3
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BU of 8zq3 by Molmil
Structure of ORP1L-RAB7A in the presence of GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, Oxysterol-binding protein-related protein 1, Ras-related protein Rab-7a
著者Lu, Q, Zhang, J, Xu, C.
登録日2024-05-31
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure of GDP-bound Rab7 Q67L in complex with ORP1L.
Biochem.Biophys.Res.Commun., 725, 2024
9B3P
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BU of 9b3p by Molmil
The cryo-EM structure of the H2A.Z-H3.3 double-variant nucleosome
分子名称: DNA (128-MER), Histone H2A.Z, Histone H2B 1.1, ...
著者Tan, D, Sokolova, V.
登録日2024-03-19
公開日2024-06-12
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural and Biochemical Characterization of the Nucleosome Containing Variants H3.3 and H2A.Z.
Epigenomes, 8, 2024
8Y94
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Structure of Apo human norepinephrine transporter NET
分子名称: Sodium-dependent noradrenaline transporter
著者Zhang, H, Xu, H.E, Jiang, Y.
登録日2024-02-06
公開日2024-05-29
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024

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件を2024-07-17に公開中

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