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4V18
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BU of 4v18 by Molmil
SeMet structure of a novel carbohydrate binding module from glycoside hydrolase family 5 glucanase from Ruminococcus flavefaciens FD-1
分子名称: CARBOHYDRATE BINDING MODULE
著者Venditto, I, Centeno, M.S.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
登録日2014-09-25
公開日2016-01-20
最終更新日2016-07-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
2BFB
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BU of 2bfb by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ...
著者Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
登録日2004-12-06
公開日2006-02-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
6GTH
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BU of 6gth by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H.
登録日2018-06-18
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Megahertz serial crystallography.
Nat Commun, 9, 2018
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
1V11
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BU of 1v11 by Molmil
CROSSTALK BETWEEN COFACTOR BINDING AND THE PHOSPHORYLATION LOOP CONFORMATION IN THE BCKD MACHINE
分子名称: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, BENZAMIDINE, ...
著者Li, J, Wynn, R.M, Machius, M, Chuang, J.L, Karthikeyan, S, Tomchick, D.R, Chuang, D.T.
登録日2004-04-05
公開日2004-06-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Cross-Talk between Thiamin Diphosphate Binding and Phosphorylation Loop Conformation in Human Branched-Chain {Alpha}-Keto Acid Decarboxylase/Dehydrogenase
J.Biol.Chem., 279, 2004
1V1M
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BU of 1v1m by Molmil
CROSSTALK BETWEEN COFACTOR BINDING AND THE PHOSPHORYLATION LOOP CONFORMATION IN THE BCKD MACHINE
分子名称: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, BENZAMIDINE, ...
著者Li, J, Wynn, R.M, Machius, M, Chuang, J.L, Karthikeyan, S, Tomchick, D.R, Chuang, D.T.
登録日2004-04-20
公開日2004-06-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cross-Talk between Thiamin Diphosphate Binding and Phosphorylation Loop Conformation in Human Branched-Chain Alpha-Keto Acid Decarboxylase/Dehydrogenase.
J.Biol.Chem., 279, 2004
1V1R
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BU of 1v1r by Molmil
CROSSTALK BETWEEN COFACTOR BINDING AND THE PHOSPHORYLATION LOOP CONFORMATION IN THE BCKD MACHINE
分子名称: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, CHLORIDE ION, ...
著者Li, J, Wynn, R.M, Machius, M, Chuang, J.L, Karthikeyan, S, Tomchick, D.R, Chuang, D.T.
登録日2004-04-22
公開日2004-06-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cross-Talk between Thiamin Diphosphate Binding and Phosphorylation Loop Conformation in Human Branched-Chain {Alpha}-Keto Acid Decarboxylase/Dehydrogenase
J.Biol.Chem., 279, 2004
1V16
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BU of 1v16 by Molmil
CROSSTALK BETWEEN COFACTOR BINDING AND THE PHOSPHORYLATION LOOP CONFORMATION IN THE BCKD MACHINE
分子名称: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, BENZAMIDINE, ...
著者Li, J, Wynn, R.M, Machius, M, Chuang, J.L, Karthikeyan, S, Tomchick, D.R, Chuang, D.T.
登録日2004-04-07
公開日2004-06-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cross-Talk between Thiamin Diphosphate Binding and Phosphorylation Loop Conformation in Human Branched-Chain {Alpha}-Keto Acid Decarboxylase/Dehydrogenase
J.Biol.Chem., 279, 2004
6FTR
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BU of 6ftr by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N.
登録日2018-02-23
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.76000106 Å)
主引用文献Megahertz serial crystallography.
Nat Commun, 9, 2018
3ENS
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BU of 3ens by Molmil
Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Activated factor Xa heavy chain, ...
著者Klei, H.E.
登録日2008-09-25
公開日2008-12-30
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors.
J.Med.Chem., 51, 2008
7KHL
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BU of 7khl by Molmil
BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate)
分子名称: Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate
著者Murray, J.M.
登録日2020-10-21
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.286 Å)
主引用文献Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
7KHH
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BU of 7khh by Molmil
Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide)
分子名称: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
著者Murray, J.M.
登録日2020-10-21
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.281 Å)
主引用文献Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
6FCZ
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BU of 6fcz by Molmil
Model of gC1q-Fc complex based on 7A EM map
分子名称: Complement C1q subcomponent subunit A, Complement C1q subcomponent subunit B, Complement C1q subcomponent subunit C, ...
著者Ugurlar, D, Howes, S.C, de Kreuk, B.J.K, de Jong, R.N, Beurskens, F.J, Koster, A.J, Parren, P.W.H.I, Sharp, T.H, Gros, P, Koning, R.I.
登録日2017-12-21
公開日2018-02-28
最終更新日2018-10-24
実験手法ELECTRON MICROSCOPY (10 Å)
主引用文献Structures of C1-IgG1 provide insights into how danger pattern recognition activates complement.
Science, 359, 2018
6FPF
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BU of 6fpf by Molmil
Structure of the Ustilago maydis chorismate mutase 1
分子名称: Chromosome 16, whole genome shotgun sequence, MANGANESE (II) ION
著者Altegoer, F, Steinchen, W, Bange, G.
登録日2018-02-09
公開日2019-01-16
最終更新日2019-02-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A kiwellin disarms the metabolic activity of a secreted fungal virulence factor.
Nature, 565, 2019
7Z2K
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BU of 7z2k by Molmil
Crystal structure of SARS-CoV-2 Main Protease in orthorhombic space group p212121
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
登録日2022-02-28
公開日2023-03-22
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
7OLZ
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BU of 7olz by Molmil
Crystal structure of the SARS-CoV-2 RBD with neutralizing-VHHs Re5D06 and Re9F06
分子名称: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, Nanobody Re5D06, Nanobody Re9F06, ...
著者Aksu, M, Guttler, T, Gorlich, D.
登録日2021-05-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies.
Embo J., 40, 2021
7ON5
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BU of 7on5 by Molmil
Crystal structure of the SARS-CoV-2 neutralizing nanobody Re5D06
分子名称: 1,2-ETHANEDIOL, ETHANOL, Nanobody Re5D06
著者Aksu, M, Guttler, T, Gorlich, D.
登録日2021-05-25
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies.
Embo J., 40, 2021
8C7I
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BU of 8c7i by Molmil
Crystal structure of the PS2 assembly factor Psb32 from the cyanobactium Thermosyncechococcus vestitus (formerly elongatus)
分子名称: Green fluorescent protein,Tll0404 protein
著者Liauw, P, Gasper, R, Nowaczyk, M.M, Hofmann, E.
登録日2023-01-16
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Cryo-EM analysis of a novel photosystem II assembly intermediate that binds Psb32
To Be Published
8CX9
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BU of 8cx9 by Molmil
Structure of the SARS-COV2 PLpro (C111S) in complex with a dimeric Ubv that inhibits activity by an unusual allosteric mechanism
分子名称: BROMIDE ION, CHLORIDE ION, Papain-like protease nsp3, ...
著者Singer, A.U, Slater, C.L, Patel, A, Russel, R, Mark, B.L, Sidhu, S.S.
登録日2022-05-20
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Ubiquitin variants potently inhibit SARS-CoV-2 PLpro and viral replication via a novel site distal to the protease active site.
Plos Pathog., 18, 2022
7PL9
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BU of 7pl9 by Molmil
Cryo-EM structure of Bestrhodopsin (rhodopsin-rhodopsin-bestrophin) complex
分子名称: RETINAL, Rhodopsin
著者Matzov, D, Kaczmarczyk, I, Shalev-Benami, M.
登録日2021-08-29
公開日2022-07-06
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Rhodopsin-bestrophin fusion proteins from unicellular algae form gigantic pentameric ion channels.
Nat.Struct.Mol.Biol., 29, 2022
6U57
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BU of 6u57 by Molmil
KDO8PS Structure Determined at the EuXFEL using Segmented Flow Injection
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase
著者Botha, S, Ros, A.
登録日2019-08-27
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Segmented flow generator for serial crystallography at the European X-ray free electron laser.
Nat Commun, 11, 2020
6NY3
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BU of 6ny3 by Molmil
CasX ternary complex with 30bp target DNA
分子名称: CasX, DNA Non-target strand, DNA target strand, ...
著者Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A.
登録日2019-02-10
公開日2019-02-27
最終更新日2019-12-25
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
6WVZ
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BU of 6wvz by Molmil
Crystal structure of anti-MET Fab arm of amivantamab in complex with human MET
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cardoso, R.M.F.
登録日2020-05-07
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of amivantamab (JNJ-61186372), a bispecific antibody targeting EGFR and MET.
J.Biol.Chem., 296, 2021
6NY2
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BU of 6ny2 by Molmil
CasX-gRNA-DNA(45bp) state I
分子名称: CasX, DNA Non-target strand, DNA target strand, ...
著者Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A.
登録日2019-02-10
公開日2019-02-27
最終更新日2019-12-25
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
8RUS
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BU of 8rus by Molmil
Hen egg-white lysozyme (HEWL) structure from EuXFEL FXE, multi-hit Droplet-on-Demand (DoD) injection, 9.3 keV photon energy, space group P432121
分子名称: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Perrett, S, van Thor, J.J.
登録日2024-01-31
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Kilohertz droplet-on-demand serial femtosecond crystallography at the European XFEL station FXE.
Struct Dyn., 11, 2024

223532

件を2024-08-07に公開中

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