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7N6W
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Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U2 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806
分子名称: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 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Zhang, S, Wang, K, Mao, Y.
登録日2021-06-09
公開日2021-09-22
最終更新日2021-12-08
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer.
J.Virol., 95, 2021
7N6U
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Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U1 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806
分子名称: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 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Zhang, S, Wang, K, Mao, Y.
登録日2021-06-09
公開日2021-09-22
最終更新日2021-12-08
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer.
J.Virol., 95, 2021
7MXE
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Ab1245 Fab in complex with BG505 SOSIP.664 and 8ANC195 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 G52K5 Fab heavy chain, ...
著者Abernathy, M.E, Bjorkman, P.J.
登録日2021-05-19
公開日2021-10-27
最終更新日2021-11-03
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Antibody elicited by HIV-1 immunogen vaccination in macaques displaces Env fusion peptide and destroys a neutralizing epitope.
Npj Vaccines, 6, 2021
7N1Z
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NMR structure of native PnIA
分子名称: Alpha-conotoxin PnIA
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N24
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NMR structure of native EpI
分子名称: Alpha-conotoxin EpI
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N25
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NMR structure of EpI-OH
分子名称: Alpha-conotoxin EpI-OH
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N26
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NMR structure of EpI-[Y(SO3)15Y]-NH2
分子名称: Alpha-conotoxin EpI
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7PC2
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HIV-1 Env (BG505 SOSIP.664) in complex with the IgA bNAb 7-269 and the antibody 3BNC117.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC IgG Fab heavy chain, ...
著者Fernandez, I, Bontems, F, Pehau-Arnaudet, G, Rey, F.
登録日2021-08-03
公開日2022-02-23
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Epitope convergence of broadly HIV-1 neutralizing IgA and IgG antibody lineages in a viremic controller.
J.Exp.Med., 219, 2022
7PP0
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Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 28 (JMV-7038)
分子名称: 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
著者Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Chelini, G, De Luca, F, Docquier, J.D, Pozzi, C, Mangani, S.
登録日2021-09-10
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献1,2,4-Triazole-3-Thione Analogues with a 2-Ethylbenzoic Acid at Position 4 as VIM-type Metallo-beta-Lactamase Inhibitors.
Chemmedchem, 17, 2022
7Q3N
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Cryo-EM of the complex between human uromodulin (UMOD)/Tamm-Horsfall protein (THP) and the FimH lectin domain from uropathogenic E. coli
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Type 1 fimbiral adhesin FimH, ...
著者Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B.
登録日2021-10-28
公開日2022-03-16
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (7.4 Å)
主引用文献Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7PWY
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Structure of human dimeric ACMSD in complex with the inhibitor TES-1025
分子名称: 2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid, 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, POTASSIUM ION, ...
著者Cianci, M, Giacche, N, Carotti, A, Liscio, P, Amici, A, Cialabrini, L, De Franco, F, Pellicciari, R, Raffaelli, N.
登録日2021-10-07
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis of Human Dimeric alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase Inhibition With TES-1025.
Front Mol Biosci, 9, 2022
7MW6
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Structure of the SARS-CoV-2 Spike trimer with three RBDs up in complex with the Fab fragment of human neutralizing antibody clone 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-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Hu, Y, Xiong, Y.
登録日2021-05-15
公開日2022-03-16
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
7MXD
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BU of 7mxd by Molmil
Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J038 in complex with HIV-1 Env
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC117 antibody heavy chain, ...
著者Zhou, T, Gao, F.
登録日2021-05-19
公開日2022-03-30
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
7N28
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Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J033 in complex with HIV-1 Env
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC117 antibody heavy chain, ...
著者Zhou, T, Gao, F.
登録日2021-05-28
公開日2022-04-06
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
7PKK
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LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
分子名称: (2R,4R)-1-cyclopropylcarbonyl-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
登録日2021-08-25
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7MY1
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Sy-CrtE structure with IPP, N-term His-tag
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, Geranylgeranyl pyrophosphate synthase, ...
著者Peat, T.S, Newman, J.
登録日2021-05-19
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
7PHN
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LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
分子名称: (2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
登録日2021-08-17
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7MYL
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Crystal structure of DfrA1 dihydrofolate reductase in complex with TRIMETHOPRIM
分子名称: Dihydrofolate reductase, TRIMETHOPRIM
著者Erlandsen, H, Wright, D.
登録日2021-05-21
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
7PJG
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LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
分子名称: (2R,4R)-N-[[4-(4-cyclopropylbuta-1,3-diynyl)phenyl]methyl]-1-(2-methylpropanoyl)-4-[[(2S,4R)-4-oxidanylpyrrolidin-2-yl]carbonylamino]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
登録日2021-08-24
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7POZ
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Crystal structure of Schistosoma mansoni HDAC8 with DMSO bound in the active site
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Histone deacetylase 8, ...
著者Saccoccia, F, Ruberti, G.
登録日2021-09-10
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
7PVN
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Crystal Structure of Human UBA6 in Complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ...
著者Truongvan, N, Li, S, Schindelin, H.
登録日2021-10-05
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structures of UBA6 explain its dual specificity for ubiquitin and FAT10.
Nat Commun, 13, 2022
7PHJ
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LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
分子名称: (2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
登録日2021-08-17
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PKM
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LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
分子名称: (2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[2-methyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
登録日2021-08-25
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PJ2
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LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
分子名称: (2R,4R)-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
登録日2021-08-23
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PNB
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Sulfolobus acidocaldarius 0406 filament.
分子名称: 6-deoxy-6-sulfo-beta-D-glucopyranose-(1-3)-[alpha-D-mannopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sulfolobus acidocaldarius 0406 filament., beta-D-glucopyranose-(1-4)-6-deoxy-6-sulfo-beta-D-glucopyranose-(1-3)-[alpha-D-mannopyranose-(1-4)][alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Isupov, M.N, Gaines, M, Daum, B.
登録日2021-09-06
公開日2022-09-14
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Electron cryo-microscopy reveals the structure of the archaeal thread filament.
Nat Commun, 13, 2022

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件を2024-10-02に公開中

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