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7TUM
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BU of 7tum by Molmil
Multi-Hit SFX using MHz XFEL sources- first hit
分子名称: 1,2-ETHANEDIOL, Lysozyme C, SODIUM ION
著者Darmanin, C, Holmes, S, Abbey, B.
登録日2022-02-03
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.202 Å)
主引用文献Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
4YR7
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BU of 4yr7 by Molmil
Structure of LuxP In Complex With 1-deoxy-alpha-L-xylulofuranose-1,2-borate
分子名称: 1-deoxy-alpha-L-xylulofuranose-1,2-borate, Autoinducer 2-binding periplasmic protein LuxP
著者McDonough, M.A, Sattin, S, Davis, B.G.
登録日2015-03-14
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.533 Å)
主引用文献Discovery of Glycomimetic Agonists from a Protocell Metabolism, Proto-natural Product Libraries
To Be Published
4YAE
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BU of 4yae by Molmil
Crystal structure of LigL-apo form from Sphingobium sp. strain SYK-6
分子名称: C alpha-dehydrogenase
著者Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D.
登録日2015-02-17
公開日2016-03-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6.
J.Biol.Chem., 291, 2016
8FQO
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BU of 8fqo by Molmil
ADC-33 in complex with boronic acid transition state inhibitor MB076
分子名称: 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R.
登録日2023-01-06
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
8A4L
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BU of 8a4l by Molmil
Lipidic alpha-synuclein fibril - polymorph L2A
分子名称: Alpha-synuclein
著者Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F.
登録日2022-06-12
公開日2022-08-17
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献The 3D structure of lipidic fibrils of alpha-synuclein.
Nat Commun, 13, 2022
8FQN
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BU of 8fqn by Molmil
apo ADC-33 beta-lactamase
分子名称: Beta-lactamase, GLYCINE, PHOSPHATE ION
著者Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R.
登録日2023-01-06
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.256 Å)
主引用文献Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
6TCK
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BU of 6tck by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with ULD-2
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ...
著者Welin, M, Kimbung, R, Focht, D.
登録日2019-11-06
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rational design of balanced dual-targeting antibiotics with limited resistance.
Plos Biol., 18, 2020
7SS9
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BU of 7ss9 by Molmil
Late translocation intermediate with EF-G partially dissociated (Structure V)
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Carbone, C.E, Loveland, A.B, Gamper, H.B, Hou, Y, Korostelev, A.A.
登録日2021-11-10
公開日2022-02-23
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Time-resolved cryo-EM visualizes ribosomal translocation with EF-G and GTP.
Nat Commun, 12, 2021
6YUU
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BU of 6yuu by Molmil
Crystal structure of M. tuberculosis InhA inhibited by SKTS1
分子名称: 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
著者Eltschkner, S, Schiebel, J, Kehrein, J, Le, T.A, Davoodi, S, Merget, B, Weinrich, J.D, Tonge, P.J, Engels, B, Sotriffer, C.A, Kisker, C.
登録日2020-04-27
公開日2021-03-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure.
Acs Infect Dis., 7, 2021
6Q4T
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BU of 6q4t by Molmil
KOD DNA pol in a closed ternary complex with 7-deaza-7-(2-(2-hydroxyethoxy)-N-(prop-2-yn-1-yl)acetamide)-2-dATP
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*CP*AP*C)-3'), DNA (5'-D(P*AP*AP*CP*TP*GP*TP*GP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ...
著者Kropp, H.M, Diederichs, K, Marx, A.
登録日2018-12-06
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献The Structure of an Archaeal B-Family DNA Polymerase in Complex with a Chemically Modified Nucleotide.
Angew.Chem.Int.Ed.Engl., 58, 2019
6Q4Z
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BU of 6q4z by Molmil
Structure of an inactive variant (D94N) of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana, in complex with beta-1,2-mannobiose
分子名称: LmxM MPT-2 D94N, beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose
著者Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Kloehn, J, Viera-Lara, M, Stanton, L, Cobbold, S, Pires, D.E, Hanssen, E, Parker, M.W, Ascher, D.B, Williams, S.J, McConville, M.J, Davies, G.J.
登録日2018-12-06
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
5IUV
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BU of 5iuv by Molmil
Crystal Structure of Indole-3-acetaldehyde Dehydrogenase in complexed with NAD+
分子名称: Aldehyde dehydrogenase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Lee, S.G, McClerklin, S, Kunkel, B, Jez, J.M.
登録日2016-03-18
公開日2017-10-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.928 Å)
主引用文献Indole-3-acetaldehyde dehydrogenase-dependent auxin synthesis contributes to virulence of Pseudomonas syringae strain DC3000.
PLoS Pathog., 14, 2018
7SV9
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BU of 7sv9 by Molmil
Structure of EmrE-D3 mutant in complex with monobody L10 and TPP
分子名称: L10 monobody, Multidrug transporter EmrE, TETRAPHENYLPHOSPHONIUM
著者Kermani, A.A, Stockbridge, R.B.
登録日2021-11-18
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Crystal structures of bacterial small multidrug resistance transporter EmrE in complex with structurally diverse substrates.
Elife, 11, 2022
7T00
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BU of 7t00 by Molmil
Structure of EmrE-D3 mutant in complex with monobody L10 and benzyltrimethylammonium
分子名称: L10 monobody, Multidrug transporter EmrE, benzyltrimethylammonium
著者Kermani, A.A, Stockbridge, R.B.
登録日2021-11-29
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.91 Å)
主引用文献Crystal structures of bacterial small multidrug resistance transporter EmrE in complex with structurally diverse substrates.
Elife, 11, 2022
8QRM
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BU of 8qrm by Molmil
mt-SSU assembly intermediate in GTPBP8 knock-out cells, state 3
分子名称: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
著者Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M.
登録日2023-10-09
公開日2024-06-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献GTPBP8 plays a role in mitoribosome formation in human mitochondria.
Nat Commun, 15, 2024
7ZX2
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BU of 7zx2 by Molmil
Tubulin-Pelophen B complex
分子名称: (3R,4S,7S,9S,11S)-3,4,11-trihydroxy-7-((R,Z)-4-(hydroxymethyl)hex-2-en-2-yl)-9-methoxy-12,12-dimethyl-6-oxa-1(1,3)-benzenacyclododecaphan-5-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Estevez-Gallego, J, Diaz, J.F, Van der Eycken, J, Oliva, M.A.
登録日2022-05-20
公開日2022-11-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Chemical modulation of microtubule structure through the laulimalide/peloruside site.
Structure, 31, 2023
8QRN
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BU of 8qrn by Molmil
mt-SSU in GTPBP8 knock-out cells, state 4
分子名称: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
著者Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M.
登録日2023-10-09
公開日2024-06-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献GTPBP8 plays a role in mitoribosome formation in human mitochondria.
Nat Commun, 15, 2024
8QRK
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BU of 8qrk by Molmil
mt-SSU assembly intermediate in GTPBP8 knock-out cells, state 1
分子名称: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
著者Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M.
登録日2023-10-09
公開日2024-06-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (6.69 Å)
主引用文献GTPBP8 plays a role in mitoribosome formation in human mitochondria.
Nat Commun, 15, 2024
7SSU
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BU of 7ssu by Molmil
Structure of EmrE-D3 mutant in complex with monobody L10 and methyltriphenylphosphonium
分子名称: L10 monobody, Multidrug transporter EmrE, methyltriphenylphosphonium
著者Kermani, A.A, Stockbridge, R.B.
登録日2021-11-11
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Crystal structures of bacterial small multidrug resistance transporter EmrE in complex with structurally diverse substrates.
Elife, 11, 2022
7SZT
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BU of 7szt by Molmil
Crystal structure of Gdx-Clo from Small Multidrug Resistance family of transporters in low pH (protonated state)
分子名称: Dodecyldimethylphosphine oxide, L10 monobody, Multidrug resistance protein, ...
著者Kermani, A.A, Stockbridge, R.B, Burata, O.E.
登録日2021-11-29
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Crystal structures of bacterial small multidrug resistance transporter EmrE in complex with structurally diverse substrates.
Elife, 11, 2022
8QRL
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BU of 8qrl by Molmil
mt-SSU assembly intermediate in GTPBP8 knock-out cells, state 2
分子名称: 12S mitochondrial rRNA, 12S rRNA N4-methylcytidine (m4C) methyltransferase, 28S ribosomal protein S10, ...
著者Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M.
登録日2023-10-09
公開日2024-06-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献GTPBP8 plays a role in mitoribosome formation in human mitochondria.
Nat Commun, 15, 2024
7SQJ
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BU of 7sqj by Molmil
Cryo-EM structure of the seam subunits of the enteropathogenic E. coli O127:H6 flagellar filament
分子名称: Flagellin
著者Kreutzberger, M.A.B, Chatterjee, S, Frankel, G, Egelman, E.H.
登録日2021-11-05
公開日2022-03-16
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Flagellin outer domain dimerization modulates motility in pathogenic and soil bacteria from viscous environments.
Nat Commun, 13, 2022
7RFO
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BU of 7rfo by Molmil
SeMet Tailspike protein 4 (TSP4) phage CBA120, residues 1-335, obtained in the presence of LiSO4
分子名称: Tailspike protein
著者Chao, K, Shang, X, Grenfield, J, Linden, S.B, Nelson, D.C, Herzberg, O.
登録日2021-07-14
公開日2022-02-23
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Structure of Escherichia coli O157:H7 bacteriophage CBA120 tailspike protein 4 baseplate anchor and tailspike assembly domains (TSP4-N).
Sci Rep, 12, 2022
8GF7
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BU of 8gf7 by Molmil
Cryo-EM structure of serine 87 O-GlcNAc-modified alpha-synuclein fibrils
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-synuclein
著者Balana, J.A, Nguyen, A.B, Saelices, L, Pratt, R.M.
登録日2023-03-07
公開日2023-11-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献O-GlcNAc forces an alpha-synuclein amyloid strain with notably diminished seeding and pathology.
Nat.Chem.Biol., 20, 2024
6JO5
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BU of 6jo5 by Molmil
Structure of the green algal photosystem I supercomplex with light-harvesting complex I
分子名称: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Miyazaki, N, Takahashi, Y.
登録日2019-03-20
公開日2019-06-19
最終更新日2019-06-26
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure of the green algal photosystem I supercomplex with a decameric light-harvesting complex I.
Nat.Plants, 5, 2019

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件を2024-08-21に公開中

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