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9AU2
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BU of 9au2 by Molmil
VIR-7229 Fab fragment bound the BA.2.86 spike trimer (global refinement)
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 glycoprotein, ...
著者Tortorici, M.A, Park, Y.J, Veelser, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-02-28
公開日2024-10-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A potent pan-sarbecovirus neutralizing antibody resilient to epitope diversification.
Cell, 2024
7QYD
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BU of 7qyd by Molmil
mosquitocidal Cry11Ba determined at pH 6.5 from naturally-occurring nanocrystals by Serial femtosecond crystallography
分子名称: Pesticidal crystal protein Cry11Ba
著者De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A.
登録日2022-01-28
公開日2022-07-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
5J41
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BU of 5j41 by Molmil
Glutathione S-transferase bound with hydrolyzed Piperlongumine
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(3,4,5-trimethoxyphenyl)propanoic acid, GLUTATHIONE, ...
著者Harshbarger, W, Gondi, S, Ficarro, S, Hunter, J, Udayakumar, D, Gurbani, D, Marto, J, Westover, K.
登録日2016-03-31
公開日2016-11-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.19035351 Å)
主引用文献Structural and Biochemical Analyses Reveal the Mechanism of Glutathione S-Transferase Pi 1 Inhibition by the Anti-cancer Compound Piperlongumine.
J. Biol. Chem., 292, 2017
5TIS
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BU of 5tis by Molmil
Room temperature XFEL structure of the native, doubly-illuminated photosystem II complex
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Fuller, F, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Hussein, R, Zhang, M, Douthit, L, Kubin, M, de Lichtenberg, C, Pham, L.V, Nilsson, H, Cheah, M.H, Shevela, D, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Pastor, E, Weninger, C, Fransson, T, Lassalle, L, Braeuer, P, Aller, P, Docker, P.T, Andi, B, Orville, A.M, Glownia, J.M, Nelson, S, Sikorski, M, Zhu, D, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Watermann, D.G, Evans, G, Wernet, P, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
登録日2016-10-03
公開日2016-11-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25000381 Å)
主引用文献Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
7QC5
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BU of 7qc5 by Molmil
Crystal structure of human wild type transthyretin in complex with (3,4-dihydroxy-5-nitrophenyl)-(3-fluoro-5-hydroxyphenyl)methanone compound
分子名称: (3-fluoranyl-5-oxidanyl-phenyl)-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone, Transthyretin
著者Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D.
登録日2021-11-22
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Development of a Highly Potent Transthyretin Amyloidogenesis Inhibitor: Design, Synthesis, and Evaluation.
J.Med.Chem., 65, 2022
5MSU
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BU of 5msu by Molmil
Structure of the R domain of carboxylic acid reductase (CAR) from Mycobacterium marinum in complex with NADP, P21 form
分子名称: Carboxylic acid reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Gahloth, D, Leys, D.
登録日2017-01-05
公開日2017-07-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
3FZW
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BU of 3fzw by Molmil
Crystal Structure of Ketosteroid Isomerase D40N-D103N from Pseudomonas putida (pKSI) with bound equilenin
分子名称: EQUILENIN, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Caaveiro, J.M.M, Ringe, D, Petsko, G.A.
登録日2009-01-26
公開日2009-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Hydrogen bond coupling in the ketosteroid isomerase active site.
Biochemistry, 48, 2009
5JXV
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BU of 5jxv by Molmil
Solid-state MAS NMR structure of immunoglobulin beta 1 binding domain of protein G (GB1)
分子名称: Immunoglobulin G-binding protein G
著者Andreas, L.B, Jaudzems, K, Stanek, J, Lalli, D, Bertarello, A, Le Marchand, T, Cala-De Paepe, D, Kotelovica, S, Akopjana, I, Knott, B, Wegner, S, Engelke, F, Lesage, A, Emsley, L, Tars, K, Herrmann, T, Pintacuda, G.
登録日2016-05-13
公開日2016-08-10
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Structure of fully protonated proteins by proton-detected magic-angle spinning NMR.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JZR
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BU of 5jzr by Molmil
Solid-state MAS NMR structure of Acinetobacter phage 205 (AP205) coat protein in assembled capsid particles
分子名称: Coat protein
著者Jaudzems, K, Andreas, L.B, Stanek, J, Lalli, D, Bertarello, A, Le Marchand, T, Cala-De Paepe, D, Kotelovica, S, Akopjana, I, Knott, B, Wegner, S, Engelke, F, Lesage, A, Emsley, L, Tars, K, Herrmann, T, Pintacuda, G.
登録日2016-05-17
公開日2016-08-10
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Structure of fully protonated proteins by proton-detected magic-angle spinning NMR.
Proc.Natl.Acad.Sci.USA, 113, 2016
8DT0
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BU of 8dt0 by Molmil
Scaffolding protein functional sites using deep learning
分子名称: Scaffolding protein functional sites
著者Bera, A.K, Watson, J, Baker, D.
登録日2022-07-24
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Scaffolding protein functional sites using deep learning.
Science, 377, 2022
7R7N
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BU of 7r7n by Molmil
SARS-CoV-2 spike in complex with the S2D106 neutralizing antibody Fab fragment (local refinement of the RBD and S2D106)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S2D106 FAB heavy chain, S2D106 FAB light chain, ...
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-06-25
公開日2021-07-21
最終更新日2021-09-15
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
7RA8
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BU of 7ra8 by Molmil
SARS-CoV-2 S glycoprotein in complex with S2X259 Fab
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, Heavy chain Fab S2X259 Fab variable domain, ...
著者Veesler, D, Tortorici, M.A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-06-30
公開日2021-08-04
最終更新日2021-09-15
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Broad sarbecovirus neutralization by a human monoclonal antibody.
Nature, 597, 2021
7RAL
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BU of 7ral by Molmil
SARS-CoV-2 S bound to S2X259 Fab (local refinement of the RBD/S2X259 variable domains)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2X259 Fab heavy chain, S2X259 Fab light chain, ...
著者Veesler, D, Tortorici, M.A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-07-01
公開日2021-08-04
最終更新日2021-09-15
実験手法ELECTRON MICROSCOPY
主引用文献Broad sarbecovirus neutralization by a human monoclonal antibody.
Nature, 597, 2021
8DYA
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BU of 8dya by Molmil
Structure of the SARS-CoV-2 spike glycoprotein S2 subunit
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-08-03
公開日2022-11-30
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献SARS-CoV-2 spike conformation determines plasma neutralizing activity elicited by a wide panel of human vaccines.
Sci Immunol, 7, 2022
5MST
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BU of 5mst by Molmil
Structure of the A domain of carboxylic acid reductase (CAR) from Segniliparus rugosus in complex with AMP and a co-purified carboxylic acid
分子名称: ADENOSINE MONOPHOSPHATE, CALCIUM ION, FUMARIC ACID, ...
著者Gahloth, D, Leys, D.
登録日2017-01-05
公開日2017-07-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MSO
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BU of 5mso by Molmil
Structure of the R domain of carboxylic acid reductase (CAR) from Mycobacterium marinum in complex with NADP
分子名称: Carboxylic acid reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Gahloth, D, Leys, D.
登録日2017-01-05
公開日2017-07-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MSW
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BU of 5msw by Molmil
Structure of the A-PCP didomain of carboxylic acid reductase (CAR) from Segniliparus rugosus in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, Thioester reductase domain-containing protein
著者Gahloth, D, Leys, D.
登録日2017-01-05
公開日2017-07-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MSR
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BU of 5msr by Molmil
Structure of the unmodified PCP-R domain of carboxylic acid reductase (CAR) from Segniliparus rugosus in complex with NADPH, P43 form
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioester reductase domain-containing protein
著者Gahloth, D, Leys, D.
登録日2017-01-05
公開日2017-07-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
7P4L
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BU of 7p4l by Molmil
Crystal structure of the trimeric ectodomain of archaeal Fusexin1 (Fsx1)
分子名称: CALCIUM ION, CHLORIDE ION, Fusexin1, ...
著者Nishio, S, Tunyasuvunakool, K, Jumper, J, De Sanctis, D, Jovine, L.
登録日2021-07-12
公開日2022-07-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of archaeal fusexins homologous to eukaryotic HAP2/GCS1 gamete fusion proteins.
Nat Commun, 13, 2022
5MSP
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BU of 5msp by Molmil
Structure of the unmodified PCP-R didomain of carboxylic acid reductase (CAR) from Segniliparus rugosus in complex with NADP, F2221 form
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioester reductase domain-containing protein
著者Gahloth, D, Leys, D.
登録日2017-01-05
公開日2017-07-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MSV
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BU of 5msv by Molmil
Structure of the phosphopantetheine modified PCP-R didomain of carboxylic acid reductase (CAR) in complex with NADP
分子名称: 4'-PHOSPHOPANTETHEINE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioester reductase domain-containing protein
著者Gahloth, D, Leys, D.
登録日2017-01-05
公開日2017-07-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
2WJP
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BU of 2wjp by Molmil
CRYSTAL STRUCTURE OF MURD LIGASE IN COMPLEX WITH D-GLU CONTAINING RHODANINE INHIBITOR
分子名称: AZIDE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Tomasic, T, Zidar, N, Sink, R, Kovac, A, Rupnik, V, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Muller-Premru, M, Gobec, S, Zega, A, Peterlin-Masic, L, Kikelj, D.
登録日2009-05-28
公開日2010-08-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Novel 5-Benzylidenerhodanine and 5-Benzylidenethiazolidine-2,4-Dione Inhibitors of Murd Ligase.
J.Med.Chem., 53, 2010
7RD1
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BU of 7rd1 by Molmil
The Capsid Structure of the ChAdOx1 viral vector/chimpanzee adenovirus Y25
分子名称: Hexon protein, Hexon-interlacing protein, Penton protein, ...
著者Baker, A.T, Boyd, R.J, Sarkar, D, Vermaas, J.V, Williams, D, Singharoy, A.
登録日2021-07-08
公開日2021-12-15
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献ChAdOx1 interacts with CAR and PF4 with implications for thrombosis with thrombocytopenia syndrome.
Sci Adv, 7, 2021
6SQG
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BU of 6sqg by Molmil
Crystal structure of viral rhodopsin OLPVRII
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ...
著者Gushchin, I, Kovalev, K, Bratanov, D, Polovinkin, V, Astashkin, R, Popov, A, Bourenkov, G, Gordeliy, V.
登録日2019-09-03
公開日2019-11-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unique structure and function of viral rhodopsins.
Nat Commun, 10, 2019
8QI9
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BU of 8qi9 by Molmil
CrPhotLOV1 dark state structure determined by serial synchrotron crystallography at room temperature
分子名称: FLAVIN MONONUCLEOTIDE, Phototropin
著者Gotthard, G, Mous, S, Weinert, T, Maia, R.N.A, James, D, Dworkowski, F, Gashi, D, Antonia, F, Wang, M, Panepucci, E, Ozerov, D, Schertler, G.F.X, Heberle, J, Standfuss, J, Nogly, P.
登録日2023-09-11
公開日2024-07-24
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography.
Iucrj, 11, 2024

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