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6EUV
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BU of 6euv by Molmil
Structure of the midlink and cap-binding domains of influenza A polymerase PB2 subunit with a bound azaindole cap-binding inhibitor (VX-787)
分子名称: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, NICKEL (II) ION, Polymerase basic protein 2
著者Cusack, S, Lethier, M.
登録日2017-10-31
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
7KGY
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BU of 7kgy by Molmil
Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor UNC10201652-glucuronide
分子名称: 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase, GLYCEROL
著者Simpson, J.B, Redinbo, M.R.
登録日2020-10-19
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
5F4H
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BU of 5f4h by Molmil
Archael RuvB-like Holiday junction helicase
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Nucleotide binding protein PINc
著者Zhai, B, DuPrez, K.T, Doukov, T.I, Shen, Y, Fan, L.
登録日2015-12-03
公開日2016-12-21
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.699 Å)
主引用文献Structure and Function of a Novel ATPase that Interacts with Holliday Junction Resolvase Hjc and Promotes Branch Migration.
J. Mol. Biol., 429, 2017
7ZJ5
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BU of 7zj5 by Molmil
Unbound state of a brocolli-pepper aptamer FRET tile.
分子名称: POTASSIUM ION, brocolli-pepper aptamer
著者McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S.
登録日2022-04-08
公開日2023-04-19
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (4.55 Å)
主引用文献Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding
To Be Published
7FBP
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BU of 7fbp by Molmil
FXIIa-cMCoFx1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIIa light chain, cMCoFx1
著者Sengoku, T, Liu, W, de Veer, S.J, Huang, Y.H, Okada, C, Zdenek, C.N, Fry, B.G, Swedberg, J.E, Passioura, T, Craik, D.J, Suga, H, Ogata, K.
登録日2021-07-12
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献An Ultrapotent and Selective Cyclic Peptide Inhibitor of Human beta-Factor XIIa in a Cyclotide Scaffold.
J.Am.Chem.Soc., 143, 2021
5L33
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BU of 5l33 by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
分子名称: denovo NTF2
著者Oberdorfer, G, Marcos, E, Basanta, B, Chidyausiku, T.M, Sankaran, B, Baker, D.
登録日2016-08-03
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
8PSN
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BU of 8psn by Molmil
Tilapia Lake Virus polymerase in vRNA initiation state (transcriptase conformation)
分子名称: 5' vRNA end - vRNA loop (40-mer), DNA (5'-D(*(CTP))-3'), MAGNESIUM ION, ...
著者Arragain, B, Cusack, S.
登録日2023-07-13
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Structural and functional analysis of the minimal orthomyxovirus-like polymerase of Tilapia Lake Virus from the highly diverged Amnoonviridae family.
Nat Commun, 14, 2023
6UZE
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BU of 6uze by Molmil
Anthrax toxin protective antigen channels bound to edema factor
分子名称: CALCIUM ION, Calmodulin-sensitive adenylate cyclase, Protective antigen
著者Hardenbrook, N.J, Liu, S, Zhou, K, Zhou, Z.H, Krantz, B.A.
登録日2019-11-15
公開日2020-03-04
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Atomic structures of anthrax toxin protective antigen channels bound to partially unfolded lethal and edema factors.
Nat Commun, 11, 2020
6EYF
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BU of 6eyf by Molmil
Butyrylcolinesterase expressed in CHO cells co-crystallised with a rivastigmine analogue
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, GLYCEROL, ...
著者Brazzolotto, X, De la Mora, E, Dighe, S, Ross, B.
登録日2017-11-12
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model
Commun Chem, 2019
8PSO
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BU of 8pso by Molmil
Tilapia Lake Virus polymerase in vRNA initiation state (core only)
分子名称: 5' vRNA end - vRNA loop (40-mer), DNA (5'-D(*(CTP))-3'), MAGNESIUM ION, ...
著者Arragain, B, Cusack, S.
登録日2023-07-13
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structural and functional analysis of the minimal orthomyxovirus-like polymerase of Tilapia Lake Virus from the highly diverged Amnoonviridae family.
Nat Commun, 14, 2023
7T58
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BU of 7t58 by Molmil
Crystal structure of Miz1 BTB domain
分子名称: DIMETHYL SULFOXIDE, Zinc finger and BTB domain-containing protein 17
著者Linhares, B.M, Cierpicki, T.
登録日2021-12-11
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.05333114 Å)
主引用文献Prediction of BTB domain ligandability guided by protein dynamics
To Be Published
8PT7
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BU of 8pt7 by Molmil
Tilapia Lake Virus polymerase in cRNA pre-initiation state mode A (core-endo only)
分子名称: 5'/3' cRNA ends - cRNA loop (40-mer), MAGNESIUM ION, Polymerase acidic protein (PA-like), ...
著者Arragain, B, Cusack, S.
登録日2023-07-13
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural and functional analysis of the minimal orthomyxovirus-like polymerase of Tilapia Lake Virus from the highly diverged Amnoonviridae family.
Nat Commun, 14, 2023
8PSQ
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BU of 8psq by Molmil
Tilapia Lake Virus polymerase in cRNA pre-initiation state mode A (core only)
分子名称: 5' cRNA end - cRNA loop (40-mer), MAGNESIUM ION, Polymerase acidic protein (PA-like), ...
著者Arragain, B, Cusack, S.
登録日2023-07-13
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献Structural and functional analysis of the minimal orthomyxovirus-like polymerase of Tilapia Lake Virus from the highly diverged Amnoonviridae family.
Nat Commun, 14, 2023
8PSU
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BU of 8psu by Molmil
Tilapia Lake Virus polymerase in vRNA pre-initiation state mode A (core only)
分子名称: 5' vRNA end - vRNA loop (40-mer), Polymerase acidic protein (PA-like), Putative PB1, ...
著者Arragain, B, Cusack, S.
登録日2023-07-13
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Structural and functional analysis of the minimal orthomyxovirus-like polymerase of Tilapia Lake Virus from the highly diverged Amnoonviridae family.
Nat Commun, 14, 2023
8PSX
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BU of 8psx by Molmil
Tilapia Lake Virus polymerase in vRNA elongation state (transcriptase conformation)
分子名称: 5' vRNA end - vRNA loop (40-mer), MAGNESIUM ION, Polymerase acidic protein (PA-like), ...
著者Arragain, B, Cusack, S.
登録日2023-07-13
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Structural and functional analysis of the minimal orthomyxovirus-like polymerase of Tilapia Lake Virus from the highly diverged Amnoonviridae family.
Nat Commun, 14, 2023
8PT6
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BU of 8pt6 by Molmil
Tilapia Lake Virus polymerase in vRNA initiation state (replicase conformation)
分子名称: 5' vRNA end - vRNA loop (40-mer), DNA (5'-D(*(CTP))-3'), MAGNESIUM ION, ...
著者Arragain, B, Cusack, S.
登録日2023-07-13
公開日2023-12-27
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Structural and functional analysis of the minimal orthomyxovirus-like polymerase of Tilapia Lake Virus from the highly diverged Amnoonviridae family.
Nat Commun, 14, 2023
5L9A
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BU of 5l9a by Molmil
L-threonine dehydrogenase from trypanosoma brucei.
分子名称: ACETATE ION, L-threonine 3-dehydrogenase
著者Erskine, P.T, Cooper, J.B, Adjogatse, E, Kelly, J, Wood, S.P.
登録日2016-06-09
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
8PJN
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BU of 8pjn by Molmil
Catalytic module of human CTLH E3 ligase bound to multiphosphorylated UBE2H~ubiquitin
分子名称: E3 ubiquitin-protein transferase MAEA, E3 ubiquitin-protein transferase RMND5A, Ubiquitin, ...
著者Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A.
登録日2023-06-23
公開日2024-01-03
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies.
Mol.Cell, 84, 2024
3IHK
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BU of 3ihk by Molmil
Crystal Structure of thiamin pyrophosphokinase from S.mutans, Northeast Structural Genomics Consortium Target SmR83
分子名称: MAGNESIUM ION, PHOSPHATE ION, THIAMINE DIPHOSPHATE, ...
著者Kuzin, A, Abashidze, M, Seetharaman, J, Vorobiev, S, Mao, M, Xiao, R, Ciccosanti, C, Maglaqui, M, Foote, E.L, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2009-07-30
公開日2009-08-25
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Northeast Structural Genomics Consortium Target SmR83
To be published
5TVR
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BU of 5tvr by Molmil
JMJD2A in complex with Ni(II) and alpha-Ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
著者Cascella, B, Lee, S.G, Jez, J.M.
登録日2016-11-09
公開日2017-02-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献The small molecule JIB-04 disrupts O2 binding in the Fe-dependent histone demethylase KDM4A/JMJD2A.
Chem. Commun. (Camb.), 53, 2017
5F4M
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BU of 5f4m by Molmil
Protruding domain of GII.17 norovirus Kawasaki323
分子名称: 1,2-ETHANEDIOL, Capsid protein
著者Singh, B.K, Hansman, G.S.
登録日2015-12-03
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural Evolution of the Emerging 2014-2015 GII.17 Noroviruses.
J.Virol., 90, 2015
8PMQ
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BU of 8pmq by Molmil
Catalytic module of yeast GID E3 ligase bound to multiphosphorylated Ubc8~ubiquitin
分子名称: E3 ubiquitin-protein ligase RMD5, Protein FYV10, Ubiquitin, ...
著者Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A.
登録日2023-06-29
公開日2024-01-03
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies.
Mol.Cell, 84, 2024
5L16
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BU of 5l16 by Molmil
Crystal Structure of N-terminus truncated selenophosphate synthetase from Leishmania major
分子名称: Putative selenophosphate synthetase, SULFATE ION
著者Faim, L.M, Silva, I.R, Pereira, H.M, Dias, M.B, Silva, M.T.A, Brandao-Neto, J, Thiemann, O.H.
登録日2016-07-28
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Trypanosomatid selenophosphate synthetase structure, function and interaction with selenocysteine lyase.
Plos Negl Trop Dis, 14, 2020
4XFU
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BU of 4xfu by Molmil
Structure of IL-18 SER Mutant V
分子名称: Interleukin-18
著者Krumm, B.E, Meng, X, Xiang, Y, Deng, J.
登録日2014-12-29
公開日2015-06-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystallization of interleukin-18 for structure-based inhibitor design.
Acta Crystallogr.,Sect.F, 71, 2015
4XGT
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BU of 4xgt by Molmil
Structure of RNA Helicase FRH a Critical Component of the Neurospora Crassa Circadian Clock
分子名称: FRQ-interacting RNA helicase
著者Conrad, K.S, Crane, B.C.
登録日2015-01-02
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structure of the frequency-interacting RNA helicase: a protein interaction hub for the circadian clock.
Embo J., 35, 2016

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