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7NEV
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Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin
分子名称: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
登録日2021-02-05
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7NCA
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BU of 7nca by Molmil
Type 1A alpha-synuclein filament seeded in vitro by filaments purified from Multiple Systems Atrophy Case 2
分子名称: Alpha-synuclein
著者Lovestam, S.K.A, Schweighauser, M, Scheres, S.H.W.
登録日2021-01-28
公開日2021-02-24
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Seeded assembly in vitro does not replicate the structures of alpha-synuclein filaments from multiple system atrophy.
Febs Open Bio, 11, 2021
7S42
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BU of 7s42 by Molmil
Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-acetamido-3,6-dideoxy-D-galactose
分子名称: 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ...
著者Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M.
登録日2021-09-08
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
2D2L
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BU of 2d2l by Molmil
Crystal Structure of a minimal, all-RNA hairpin ribozyme with a propyl linker (C3) at position U39
分子名称: 5'-R(*CP*GP*GP*UP*GP*AP*GP*AP*AP*GP*GP*G)-3', 5'-R(*GP*GP*CP*AP*GP*AP*GP*AP*AP*AP*CP*AP*CP*AP*CP*GP*A)-3', 5'-R(*UP*CP*CP*CP*(A2M)P*GP*UP*CP*CP*AP*CP*CP*G)-3', ...
著者Alam, S, Grum-Tokars, V, Krucinska, J, Kundracik, M.L, Wedekind, J.E.
登録日2005-09-11
公開日2005-11-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformational heterogeneity at position U37 of an all-RNA hairpin ribozyme with implications for metal binding and the catalytic structure of the S-turn
Biochemistry, 44, 2005
8CC1
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BU of 8cc1 by Molmil
Crystal Structure of Anti-cortisol Fab in Complex with Prednisolone
分子名称: anti-cortisol (17) Fab (heavy chain), anti-cortisol (17) Fab (light chain), prednisolone
著者Eronen, V, Rouvinen, J, Hakulinen, N.
登録日2023-01-26
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insight to elucidate the binding specificity of the anti-cortisol Fab fragment with glucocorticoids.
J.Struct.Biol., 215, 2023
4PC1
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BU of 4pc1 by Molmil
Elongation Factor Tu:Ts complex with a bound phosphate
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Elongation factor Ts, Elongation factor Tu, ...
著者Thirup, S.S.
登録日2014-04-14
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural outline of the detailed mechanism for elongation factor Ts-mediated guanine nucleotide exchange on elongation factor Tu.
J.Struct.Biol., 191, 2015
7RXD
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BU of 7rxd by Molmil
CryoEM structure of RBD domain of COVID-19 in complex with Legobody
分子名称: Fab_8D3_2 heavy chain, Fab_8D3_2 light chain, Maltodextrin-binding protein,Immunoglobulin G-binding protein A,Immunoglobulin G-binding protein G, ...
著者Wu, X.D, Rapoport, T.A.
登録日2021-08-22
公開日2021-10-06
最終更新日2021-10-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structure determination of small proteins by nanobody-binding scaffolds (Legobodies).
Proc.Natl.Acad.Sci.USA, 118, 2021
4PN0
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BU of 4pn0 by Molmil
Structure of S. pombe Pct1 RNA triphosphatase
分子名称: mRNA-capping enzyme subunit beta
著者Lima, C.D, Doamekpor, S.K.
登録日2014-05-22
公開日2014-11-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fission yeast RNA triphosphatase reads an Spt5 CTD code.
Rna, 21, 2015
3LXE
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BU of 3lxe by Molmil
Human Carbonic Anhydrase I in complex with topiramate
分子名称: Carbonic anhydrase 1, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate
著者Alterio, V, De Simone, G, Monti, S.M, Truppo, E.
登録日2010-02-25
公開日2010-07-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The first example of a significant active site conformational rearrangement in a carbonic anhydrase-inhibitor adduct: the carbonic anhydrase I-topiramate complex.
Org.Biomol.Chem., 2010
4PCZ
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BU of 4pcz by Molmil
Crystal structure of a complex between R247G LlFPG mutant and a THF containing DNA
分子名称: DNA (5'-D(*CP*TP*CP*TP*TP*TP*(3DR)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), Formamidopyrimidine-DNA glycosylase, ...
著者Coste, F, Castaing, B.
登録日2014-04-17
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Zinc finger oxidation of Fpg/Nei DNA glycosylases by 2-thioxanthine: biochemical and X-ray structural characterization.
Nucleic Acids Res., 42, 2014
4PNJ
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BU of 4pnj by Molmil
Recombinant Sperm Whale P6 Myoglobin Solved with Single Pulse Free Electron Laser Data
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Cohen, A, Gonzalez, A, Lam, W, Lyubimov, A, Sauter, N, Tsai, Y, Uervirojnangkoorn, M, Brunger, A, Soltis, M.
登録日2014-05-23
公開日2014-11-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Goniometer-based femtosecond crystallography with X-ray free electron lasers.
Proc.Natl.Acad.Sci.USA, 111, 2014
8CC0
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BU of 8cc0 by Molmil
Crystal Structure of Anti-cortisol Fab in Complex with Cortisone
分子名称: Cortisone, anti-cortisol (17) Fab (heavy chain), anti-cortisol (17) Fab (light chain)
著者Eronen, V, Rouvinen, J, Hakulinen, N.
登録日2023-01-26
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insight to elucidate the binding specificity of the anti-cortisol Fab fragment with glucocorticoids.
J.Struct.Biol., 215, 2023
3L9S
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BU of 3l9s by Molmil
Crystal Structure of Salmonella enterica serovar Typhimurium DsbA
分子名称: Thiol:disulfide interchange protein
著者Heras, B, Jarrott, R, Shouldice, S.R, Guncar, G.
登録日2010-01-05
公開日2010-03-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural and functional characterization of three DsbA paralogues from Salmonella enterica serovar typhimurium
J.Biol.Chem., 285, 2010
7RXC
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BU of 7rxc by Molmil
CryoEM structure of KDELR with Legobody
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ER lumen protein-retaining receptor 2, Fab_8D3_2 heavy chain, ...
著者Wu, X.D, Rapoport, T.A.
登録日2021-08-22
公開日2021-10-06
最終更新日2021-10-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure determination of small proteins by nanobody-binding scaffolds (Legobodies).
Proc.Natl.Acad.Sci.USA, 118, 2021
8CJA
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BU of 8cja by Molmil
A225L/F231A variant of the CODH/ACS complex of C. hydrogenoformans
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ...
著者Ruickoldt, J, Jeoung, J, Lennartz, F, Dobbek, H.
登録日2023-02-13
公開日2024-02-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Coupling CO2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis.
Angew.Chem.Int.Ed.Engl., 2024
4PDI
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BU of 4pdi by Molmil
Crystal structure of a complex between an inhibited LlFpg and a N7-Benzyl-Fapy-dG containing DNA
分子名称: 2-sulfanyl-1,9-dihydro-6H-purin-6-one, DNA (5'-D(*CP*TP*CP*TP*TP*TP*(SOS)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), ...
著者Coste, F, Castaing, B.
登録日2014-04-18
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Zinc finger oxidation of Fpg/Nei DNA glycosylases by 2-thioxanthine: biochemical and X-ray structural characterization.
Nucleic Acids Res., 42, 2014
1ESN
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BU of 1esn by Molmil
STRUCTURAL BASIS FOR THE FEEDBACK REGULATION OF ESCHERICHIA COLI PANTOTHENATE KINASE BY COENZYME A
分子名称: MAGNESIUM ION, PANTOTHENATE KINASE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Yun, M, Park, C.G, Kim, J.Y, Rock, C.O, Jackowski, S, Park, H.W.
登録日2000-04-10
公開日2000-11-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the feedback regulation of Escherichia coli pantothenate kinase by coenzyme A.
J.Biol.Chem., 275, 2000
8CDA
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BU of 8cda by Molmil
Crystal structure of MAB_4123 from Mycobacterium abscessus
分子名称: GLYCEROL, PHOSPHATE ION, Probable monooxygenase
著者Ung, K.L, Poussineau, C, Couston, J, Alsarraf, H.M.A.B, Blaise, M.
登録日2023-01-30
公開日2023-05-10
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of MAB_4123, a putative flavin-dependent monooxygenase from Mycobacterium abscessus.
Acta Crystallogr.,Sect.F, 79, 2023
3LYA
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BU of 3lya by Molmil
Crystal structure of the periplasmic domain of CadC in the presence of K2ReCl6
分子名称: Transcriptional activator cadC, rhenium (IV) hexachloride
著者Eichinger, A, Skerra, A.
登録日2010-02-26
公開日2011-02-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the sensory domain of Escherichia coli CadC, a member of the ToxR-like protein family.
Protein Sci., 20, 2011
5A5K
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BU of 5a5k by Molmil
AtGSTF2 from Arabidopsis thaliana in complex with camalexin
分子名称: (2Z)-2-indol-3-ylidene-3H-1,3-thiazole, GLUTATHIONE S-TRANSFERASE F2
著者Ahmad, L, Rylott, E, Bruce, N.C, Edwards, R, Grogan, G.
登録日2015-06-18
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural evidence for Arabidopsis glutathione transferase AtGSTF2 functioning as a transporter of small organic ligands.
FEBS Open Bio, 7, 2017
4PE0
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BU of 4pe0 by Molmil
Crystal Structure of Calcium-loaded S100B bound to SBi4434
分子名称: 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione, CALCIUM ION, Protein S100-B
著者Cavalier, M.C, Pierce, P.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J.
登録日2014-04-22
公開日2014-11-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
7S0L
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BU of 7s0l by Molmil
Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, S723F
分子名称: Terpene synthase
著者Ronnebaum, T.A, Christianson, D.W.
登録日2021-08-30
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Engineering the Prenyltransferase Domain of a Bifunctional Assembly-Line Terpene Synthase.
Biochemistry, 60, 2021
8CBY
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BU of 8cby by Molmil
Crystal Structure of Anti-cortisol Fab in Complex with Cortisol
分子名称: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, anti-cortisol (17) Fab (heavy chain), anti-cortisol (17) Fab (light chain)
著者Eronen, V, Rouvinen, J, Hakulinen, N.
登録日2023-01-26
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural insight to elucidate the binding specificity of the anti-cortisol Fab fragment with glucocorticoids.
J.Struct.Biol., 215, 2023
8IHP
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BU of 8ihp by Molmil
Structure of Semliki Forest virus VLP in complex with the receptor VLDLR-LA3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Capsid protein, ...
著者Cao, D, Ma, B, Cao, Z, Zhang, X, Xiang, Y.
登録日2023-02-23
公開日2023-04-12
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure of Semliki Forest virus in complex with its receptor VLDLR.
Cell, 186, 2023
7RX1
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BU of 7rx1 by Molmil
Crystal structure of the TIR domain from the grapevine disease resistance protein RUN1
分子名称: Disease resistance protein RUN1, SULFATE ION
著者Burdett, H, Kobe, B.
登録日2021-08-21
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Self-association configures the NAD + -binding site of plant NLR TIR domains
Biorxiv, 2021

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