7QBN
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![BU of 7qbn by Molmil](/molmil-images/mine/7qbn) | Structure of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303 | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Benysek, J, Busa, M, Mares, M. | Deposit date: | 2021-11-19 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
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7QBL
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![BU of 7qbl by Molmil](/molmil-images/mine/7qbl) | |
7QBM
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![BU of 7qbm by Molmil](/molmil-images/mine/7qbm) | Structure of the activation intermediate of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor Gu2602 | Descriptor: | ACETATE ION, Cathepsin K, MAGNESIUM ION, ... | Authors: | Benysek, J, Busa, M, Mares, M. | Deposit date: | 2021-11-19 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
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7QBO
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![BU of 7qbo by Molmil](/molmil-images/mine/7qbo) | Structure of the activation intermediate of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303 | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Benysek, J, Busa, M, Mares, M. | Deposit date: | 2021-11-19 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
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7ADW
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![BU of 7adw by Molmil](/molmil-images/mine/7adw) | Structure of SARS-CoV-2 Main Protease bound to 2,4'-Dimethylpropiophenone. | Descriptor: | 2-methyl-1-(4-methylphenyl)propan-1-one, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, 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, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, 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, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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6Y2K
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![BU of 6y2k by Molmil](/molmil-images/mine/6y2k) | Crystal structure of beta-galactosidase from the psychrophilic Marinomonas ef1 | Descriptor: | CHLORIDE ION, GLYCEROL, beta-galactosidase | Authors: | Mangiagalli, M, Lapi, M, Maione, S, Orlando, M, Brocca, S, Pesce, A, Barbiroli, A, Pucciarelli, S, Camilloni, C, Lotti, M. | Deposit date: | 2020-02-16 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The co-existence of cold activity and thermal stability in an Antarctic GH42 beta-galactosidase relies on its hexameric quaternary arrangement. Febs J., 288, 2021
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8ILL
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![BU of 8ill by Molmil](/molmil-images/mine/8ill) | Crystal structure of a highly photostable and bright green fluorescent protein at pH5.6 | Descriptor: | CHLORIDE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, green fluorescent protein | Authors: | Ago, H, Ando, R, Hirano, M, Shimozono, S, Miyawaki, A, Yamamoto, M. | Deposit date: | 2023-03-03 | Release date: | 2023-10-04 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | StayGold variants for molecular fusion and membrane-targeting applications. Nat.Methods, 21, 2024
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8ILK
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![BU of 8ilk by Molmil](/molmil-images/mine/8ilk) | Crystal structure of a highly photostable and bright green fluorescent protein at pH8.5 | Descriptor: | CHLORIDE ION, Green FLUORESCENT PROTEIN | Authors: | Ago, H, Ando, R, Hirano, M, Shimozono, S, Miyawaki, A, Yamamoto, M. | Deposit date: | 2023-03-03 | Release date: | 2023-10-04 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | StayGold variants for molecular fusion and membrane-targeting applications. Nat.Methods, 21, 2024
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7NXM
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![BU of 7nxm by Molmil](/molmil-images/mine/7nxm) | Structure of human cathepsin K in complex with the selective activity-based probe Gu3416 | Descriptor: | Cathepsin K, N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide, SULFATE ION | Authors: | Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M. | Deposit date: | 2021-03-18 | Release date: | 2021-09-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity. J.Med.Chem., 64, 2021
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7NXL
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![BU of 7nxl by Molmil](/molmil-images/mine/7nxl) | Structure of human cathepsin K in complex with the acrylamide inhibitor Gu3110 | Descriptor: | Cathepsin K, SULFATE ION, tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate | Authors: | Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M. | Deposit date: | 2021-03-18 | Release date: | 2021-09-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity. J.Med.Chem., 64, 2021
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8IRG
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![BU of 8irg by Molmil](/molmil-images/mine/8irg) | XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 30-microsecond delay | Descriptor: | 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, ... | Authors: | Li, H, Suga, M, Shen, J.R. | Deposit date: | 2023-03-17 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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8IR6
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![BU of 8ir6 by Molmil](/molmil-images/mine/8ir6) | XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 20-nanosecond delay | Descriptor: | 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, ... | Authors: | Li, H, Suga, M, Shen, J.R. | Deposit date: | 2023-03-17 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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8IRB
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![BU of 8irb by Molmil](/molmil-images/mine/8irb) | XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 5-millisecond delay | Descriptor: | 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, ... | Authors: | Li, H, Suga, M, Shen, J.R. | Deposit date: | 2023-03-17 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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8IRH
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![BU of 8irh by Molmil](/molmil-images/mine/8irh) | XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 200-microsecond delay | Descriptor: | 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, ... | Authors: | Li, H, Suga, M, Shen, J.R. | Deposit date: | 2023-03-17 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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8IRF
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![BU of 8irf by Molmil](/molmil-images/mine/8irf) | XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 1-microsecond delay | Descriptor: | 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, ... | Authors: | Li, H, Suga, M, Shen, J.R. | Deposit date: | 2023-03-17 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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8IR7
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![BU of 8ir7 by Molmil](/molmil-images/mine/8ir7) | XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 200-nanosecond delay | Descriptor: | 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, ... | Authors: | Li, H, Suga, M, Shen, J.R. | Deposit date: | 2023-03-17 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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8IR8
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![BU of 8ir8 by Molmil](/molmil-images/mine/8ir8) | XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 1-microsecond delay | Descriptor: | 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, ... | Authors: | Li, H, Suga, M, Shen, J.R. | Deposit date: | 2023-03-17 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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8IRE
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![BU of 8ire by Molmil](/molmil-images/mine/8ire) | XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 200-nanosecond delay | Descriptor: | 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, ... | Authors: | Li, H, Suga, M, Shen, J.R. | Deposit date: | 2023-03-17 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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8IR5
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![BU of 8ir5 by Molmil](/molmil-images/mine/8ir5) | XFEL structure of cyanobacterial photosystem II under dark conditions | Descriptor: | 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, ... | Authors: | Li, H, Suga, M, Shen, J.R. | Deposit date: | 2023-03-17 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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8IR9
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![BU of 8ir9 by Molmil](/molmil-images/mine/8ir9) | XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 30-microsecond delay | Descriptor: | 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, ... | Authors: | Li, H, Suga, M, Shen, J.R. | Deposit date: | 2023-03-17 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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8IRC
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![BU of 8irc by Molmil](/molmil-images/mine/8irc) | XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 5-millisecond delay (Single conformation) | Descriptor: | 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, ... | Authors: | Li, H, Suga, M, Shen, J.R. | Deposit date: | 2023-03-17 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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8IRA
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![BU of 8ira by Molmil](/molmil-images/mine/8ira) | XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 200-microsecond delay | Descriptor: | 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, ... | Authors: | Li, H, Suga, M, Shen, J.R. | Deposit date: | 2023-03-17 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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8IRI
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![BU of 8iri by Molmil](/molmil-images/mine/8iri) | XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 5-millisecond delay | Descriptor: | 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, ... | Authors: | Li, H, Suga, M, Shen, J.R. | Deposit date: | 2023-03-17 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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8IRD
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![BU of 8ird by Molmil](/molmil-images/mine/8ird) | XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 20-nanosecond delay | Descriptor: | 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, ... | Authors: | Li, H, Suga, M, Shen, J.R. | Deposit date: | 2023-03-17 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions. Nature, 626, 2024
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8IAY
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![BU of 8iay by Molmil](/molmil-images/mine/8iay) | Crystal structure of canine distemper virus hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin glycoprotein | Authors: | Fukuhara, H, Yumoto, K, Sako, M, Kajikawa, M, Ose, T, Hashiguchi, T, Kamishikiryo, J, Maita, N, Kuroki, K, Maenaka, K. | Deposit date: | 2023-02-09 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.027 Å) | Cite: | Glycan-shielded homodimer structure and dynamical features of the canine distemper virus hemagglutinin relevant for viral entry and efficient vaccination Elife, 2024
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