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6MVM
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LasR LBD L130F:3OC14HSL complex
分子名称: 3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide, Transcriptional regulator LasR
著者Paczkowski, J.E, Bassler, B.L.
登録日2018-10-26
公開日2019-01-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献An Autoinducer Analogue Reveals an Alternative Mode of Ligand Binding for the LasR Quorum-Sensing Receptor.
Acs Chem.Biol., 14, 2019
5JFR
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BU of 5jfr by Molmil
Potent, Reversible MetAP2 Inhibitors via Fragment Based Drug Discovery
分子名称: 1,2-ETHANEDIOL, 7-fluoro-4-(5-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole, DIMETHYL SULFOXIDE, ...
著者Dougan, D.R, Lawson, J.D.
登録日2016-04-19
公開日2016-05-25
最終更新日2016-06-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 2.
Bioorg.Med.Chem.Lett., 26, 2016
8PTS
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BU of 8pts by Molmil
human GUK1 in complex with compound AT8001
分子名称: GLYCEROL, Guanylate kinase, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
著者Zimberger, C, Canard, B, Ferron, F.
登録日2023-07-14
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural and functional basis for metabolic activation of the antiviral drug Bemnifosbuvir
To Be Published
5MGT
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BU of 5mgt by Molmil
Complex of human NKR-P1 and LLT1 in deglycosylated forms
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D, CHLORIDE ION, ...
著者Blaha, J, Skalova, T, Stransky, J, Koval, T, Hasek, J, Yuguang, Z, Harlos, K, Vanek, O, Dohnalek, J.
登録日2016-11-22
公開日2018-06-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the human NK cell NKR-P1:LLT1 receptor:ligand complex reveals clustering in the immune synapse.
Nat Commun, 13, 2022
1BY4
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BU of 1by4 by Molmil
STRUCTURE AND MECHANISM OF THE HOMODIMERIC ASSEMBLY OF THE RXR ON DNA
分子名称: DNA (5'-D(*C*TP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP*A)-3'), PROTEIN (RETINOIC ACID RECEPTOR RXR-ALPHA), ...
著者Zhao, Q, Chasse, S.A, Devarakonda, S, Sierk, M.L, Ahvazi, B, Sigler, P.B, Rastinejad, F.
登録日1998-10-22
公開日2000-01-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of RXR-DNA interactions.
J.Mol.Biol., 296, 2000
6XJD
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BU of 6xjd by Molmil
Two mouse cGAS catalytic domain binding to human assembled nucleosome
分子名称: Cyclic GMP-AMP synthase, DNA (145-MER), Histone H2A type 1, ...
著者Xu, P, Li, P, Zhao, B.
登録日2020-06-23
公開日2020-09-16
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (6.8 Å)
主引用文献The molecular basis of tight nuclear tethering and inactivation of cGAS.
Nature, 587, 2020
6BFU
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Glycan shield and fusion activation of a deltacoronavirus spike glycoprotein fine-tuned for enteric infections
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, Spike protein, ...
著者Xiong, X, Tortorici, M.A, Snijder, S, Yoshioka, C, Walls, A.C, Li, W, Seattle Structural Genomics Center for Infectious Disease (SSGCID), McGuire, A.T, Rey, F.A, Bosch, B.J, Veesler, D.
登録日2017-10-27
公開日2017-11-22
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Glycan Shield and Fusion Activation of a Deltacoronavirus Spike Glycoprotein Fine-Tuned for Enteric Infections.
J. Virol., 92, 2018
6VS9
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BU of 6vs9 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(piperidin-1-ylmethyl)benzoic acid(fragment 11)
分子名称: 3-[(piperidin-1-yl)methyl]benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B.
登録日2020-02-10
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.842 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
8AHN
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BU of 8ahn by Molmil
Sin Nombre virus Gn in complex with Fab SNV-42
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, Envelope polyprotein, ...
著者Stass, R, Bowden, T.A.
登録日2022-07-22
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanistic basis for potent neutralization of Sin Nombre hantavirus by a human monoclonal antibody.
Nat Microbiol, 8, 2023
7O1Q
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BU of 7o1q by Molmil
Amyloid beta oligomer displayed on the alpha hemolysin scaffold
分子名称: Alpha-hemolysin hybridized Abeta
著者Wu, J, Blum, T.B, Farrell, D.P, DiMaio, F, Abrahams, J.P, Luo, J.
登録日2021-03-30
公開日2021-04-14
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-electron Microscopy Imaging of Alzheimer's Amyloid-beta 42 Oligomer Displayed on a Functionally and Structurally Relevant Scaffold.
Angew.Chem.Int.Ed.Engl., 60, 2021
7QSQ
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BU of 7qsq by Molmil
Permutated N-terminal lobe of the ribose binding protein from Thermotoga maritima
分子名称: 1,2-ETHANEDIOL, Ribose ABC transporter, periplasmic ribose-binding protein, ...
著者Shanmugaratnam, S, Michel, F, Hocker, B.
登録日2022-01-14
公開日2023-01-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structures of permuted halves of a modern ribose-binding protein.
Acta Crystallogr D Struct Biol, 79, 2023
1BZ4
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BU of 1bz4 by Molmil
APOLIPOPROTEIN E3 (APO-E3), TRUNCATION MUTANT 165
分子名称: PROTEIN (APOLIPOPROTEIN E)
著者Rupp, B, Segelke, B.
登録日1998-11-05
公開日1998-11-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Conformational flexibility in the apolipoprotein E amino-terminal domain structure determined from three new crystal forms: implications for lipid binding.
Protein Sci., 9, 2000
7QSP
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BU of 7qsp by Molmil
Permutated C-terminal lobe of the ribose binding protein from Thermotoga maritima
分子名称: 1,2-ETHANEDIOL, Ribose ABC transporter, periplasmic ribose-binding protein
著者Shanmugaratnam, S, Michel, F, Hocker, B.
登録日2022-01-14
公開日2023-01-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structures of permuted halves of a modern ribose-binding protein.
Acta Crystallogr D Struct Biol, 79, 2023
7NSB
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BU of 7nsb by Molmil
Supramolecular assembly module of yeast Chelator-GID SR4 E3 ubiquitin ligase
分子名称: Glucose-induced degradation protein 7, Glucose-induced degradation protein 8, Vacuolar import and degradation protein 30
著者Chrustowicz, J, Sherpa, D, Prabu, J.R, Schulman, B.A.
登録日2021-03-05
公開日2021-05-05
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
8TD0
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BU of 8td0 by Molmil
Structure of PYCR1 complexed with 5-oxo-7a-phenyl-hexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
分子名称: (3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
7NS3
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BU of 7ns3 by Molmil
Substrate receptor scaffolding module of yeast Chelator-GID SR4 E3 ubiquitin ligase bound to Fbp1 substrate
分子名称: BJ4_G0018240.mRNA.1.CDS.1, Fructose-bisphosphatase, Glucose-induced degradation protein 8, ...
著者Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A.
登録日2021-03-05
公開日2021-05-05
最終更新日2021-07-07
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
5J61
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BU of 5j61 by Molmil
D-aminoacyl-tRNA deacylase (DTD) from Plasmodium falciparum in complex with glycyl-3'-aminoadenosine at 2.10 Angstrom resolution
分子名称: 3'-deoxy-3'-(glycylamino)adenosine, D-tyrosyl-tRNA(Tyr) deacylase
著者Routh, S.B, Ahmad, S, Sankaranarayanan, R.
登録日2016-04-04
公開日2016-09-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Elongation Factor Tu Prevents Misediting of Gly-tRNA(Gly) Caused by the Design Behind the Chiral Proofreading Site of D-Aminoacyl-tRNA Deacylase
Plos Biol., 14, 2016
8AA4
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BU of 8aa4 by Molmil
SusC components of the dextran utilisation system (utilisome)
分子名称: SusC homolog
著者White, J.B.R, Silale, A, Ranson, N.A, van den Berg, B.
登録日2022-06-29
公開日2023-06-07
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes.
Nature, 618, 2023
6MTQ
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BU of 6mtq by Molmil
Crystal structure of VRC42.N1 Fab in complex with T117-F MPER scaffold
分子名称: Antibody VRC42.N1 Fab heavy chain, Antibody VRC42.N1 Fab light chain, VRC42 epitope T117-F scaffold
著者Kwon, Y.D, Law, W.H, Veradi, R, Doria-Rose, N.A, Kwong, P.D.
登録日2018-10-21
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
6BDA
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BU of 6bda by Molmil
Wild-type I-OnuI bound to A3G substrate (post-cleavage complex)
分子名称: Cleaved Cognate DNA strand, +11 sense, Cleaved cognate DNA strand, ...
著者Brown, C, Zhang, K, Laforet, M, McMurrough, T, Gloor, G.B, Edgell, D.R, Junop, M.
登録日2017-10-22
公開日2018-10-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Wild-type I-OnuI bound to A3G substrate (post-cleavage complex)
To Be Published
7NSC
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BU of 7nsc by Molmil
Substrate receptor scaffolding module of human CTLH E3 ubiquitin ligase
分子名称: Glucose-induced degradation protein 4 homolog, Glucose-induced degradation protein 8 homolog, Isoform 2 of Armadillo repeat-containing protein 8, ...
著者Chrustowicz, J, Sherpa, D, Prabu, J.R, Schulman, B.A.
登録日2021-03-05
公開日2021-05-05
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
8TNT
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BU of 8tnt by Molmil
Crystal structure of Epstein-Barr virus gH/gL/gp42 in complex with antibodies F-2-1 and 769C2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 769C2 heavy chain, 769C2 light chain, ...
著者Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I.
登録日2023-08-02
公開日2024-03-27
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024
7NS4
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BU of 7ns4 by Molmil
Catalytic module of yeast Chelator-GID SR4 E3 ubiquitin ligase
分子名称: E3 ubiquitin-protein ligase RMD5, Protein FYV10, ZINC ION
著者Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A.
登録日2021-03-05
公開日2021-05-05
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
8A9Y
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BU of 8a9y by Molmil
Substrate-free levan utilisation machinery (utilisome)
分子名称: DUF4960 domain-containing protein, Glycoside hydrolase family 32, MAGNESIUM ION, ...
著者White, J.B.R, Silale, A, Ranson, N.A, van den Berg, B.
登録日2022-06-29
公開日2023-06-07
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes.
Nature, 618, 2023
6MX4
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BU of 6mx4 by Molmil
CryoEM structure of chimeric Eastern Equine Encephalitis Virus
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid, ...
著者Hasan, S.S, Sun, C, Kim, A.S, Watanabe, Y, Chen, C.L, Klose, T, Buda, G, Crispin, M, Diamond, M.S, Klimstra, W.B, Rossmann, M.G.
登録日2018-10-30
公開日2018-12-19
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Cryo-EM Structures of Eastern Equine Encephalitis Virus Reveal Mechanisms of Virus Disassembly and Antibody Neutralization.
Cell Rep, 25, 2018

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