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7QBN
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BU of 7qbn by Molmil
Structure of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303
分子名称: (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ...
著者Benysek, J, Busa, M, Mares, M.
登録日2021-11-19
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
7QBL
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BU of 7qbl by Molmil
Structure of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor Gu2602
分子名称: Cathepsin K, ~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate
著者Benysek, J, Busa, M, Mares, M.
登録日2021-11-19
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
7QBM
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BU of 7qbm by Molmil
Structure of the activation intermediate of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor Gu2602
分子名称: ACETATE ION, Cathepsin K, MAGNESIUM ION, ...
著者Benysek, J, Busa, M, Mares, M.
登録日2021-11-19
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献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
7QBO
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BU of 7qbo by Molmil
Structure of the activation intermediate of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303
分子名称: (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Benysek, J, Busa, M, Mares, M.
登録日2021-11-19
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
7ADW
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BU of 7adw by Molmil
Structure of SARS-CoV-2 Main Protease bound to 2,4'-Dimethylpropiophenone.
分子名称: 2-methyl-1-(4-methylphenyl)propan-1-one, 3C-like proteinase, CHLORIDE ION, ...
著者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.
登録日2020-09-16
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
6Y2K
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BU of 6y2k by Molmil
Crystal structure of beta-galactosidase from the psychrophilic Marinomonas ef1
分子名称: CHLORIDE ION, GLYCEROL, beta-galactosidase
著者Mangiagalli, M, Lapi, M, Maione, S, Orlando, M, Brocca, S, Pesce, A, Barbiroli, A, Pucciarelli, S, Camilloni, C, Lotti, M.
登録日2020-02-16
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
8ILL
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BU of 8ill by Molmil
Crystal structure of a highly photostable and bright green fluorescent protein at pH5.6
分子名称: CHLORIDE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, green fluorescent protein
著者Ago, H, Ando, R, Hirano, M, Shimozono, S, Miyawaki, A, Yamamoto, M.
登録日2023-03-03
公開日2023-10-04
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献StayGold variants for molecular fusion and membrane-targeting applications.
Nat.Methods, 21, 2024
8ILK
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BU of 8ilk by Molmil
Crystal structure of a highly photostable and bright green fluorescent protein at pH8.5
分子名称: CHLORIDE ION, Green FLUORESCENT PROTEIN
著者Ago, H, Ando, R, Hirano, M, Shimozono, S, Miyawaki, A, Yamamoto, M.
登録日2023-03-03
公開日2023-10-04
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献StayGold variants for molecular fusion and membrane-targeting applications.
Nat.Methods, 21, 2024
7NXM
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BU of 7nxm by Molmil
Structure of human cathepsin K in complex with the selective activity-based probe Gu3416
分子名称: Cathepsin K, N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide, SULFATE ION
著者Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M.
登録日2021-03-18
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity.
J.Med.Chem., 64, 2021
7NXL
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BU of 7nxl by Molmil
Structure of human cathepsin K in complex with the acrylamide inhibitor Gu3110
分子名称: Cathepsin K, SULFATE ION, tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
著者Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M.
登録日2021-03-18
公開日2021-09-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity.
J.Med.Chem., 64, 2021
8IRG
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BU of 8irg by Molmil
XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 30-microsecond delay
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Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IR6
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BU of 8ir6 by Molmil
XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 20-nanosecond delay
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Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IRB
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BU of 8irb by Molmil
XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 5-millisecond delay
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Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IRH
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BU of 8irh by Molmil
XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 200-microsecond delay
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Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IRF
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BU of 8irf by Molmil
XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 1-microsecond delay
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Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IR7
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BU of 8ir7 by Molmil
XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 200-nanosecond delay
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Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IR8
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BU of 8ir8 by Molmil
XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 1-microsecond delay
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Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IRE
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BU of 8ire by Molmil
XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 200-nanosecond delay
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Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IR5
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BU of 8ir5 by Molmil
XFEL structure of cyanobacterial photosystem II under dark conditions
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Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IR9
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BU of 8ir9 by Molmil
XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 30-microsecond delay
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Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IRC
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BU of 8irc by Molmil
XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 5-millisecond delay (Single conformation)
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Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IRA
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BU of 8ira by Molmil
XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 200-microsecond delay
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Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IRI
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BU of 8iri by Molmil
XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 5-millisecond delay
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Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IRD
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BU of 8ird by Molmil
XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 20-nanosecond delay
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Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IAY
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BU of 8iay by Molmil
Crystal structure of canine distemper virus hemagglutinin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin glycoprotein
著者Fukuhara, H, Yumoto, K, Sako, M, Kajikawa, M, Ose, T, Hashiguchi, T, Kamishikiryo, J, Maita, N, Kuroki, K, Maenaka, K.
登録日2023-02-09
公開日2024-02-07
実験手法X-RAY DIFFRACTION (3.027 Å)
主引用文献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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件を2024-06-26に公開中

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