1BJK
 
 | | FERREDOXIN:NADP+ REDUCTASE MUTANT WITH ARG 264 REPLACED BY GLU (R264E) | | 分子名称: | FERREDOXIN--NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | 著者 | Hermoso, J.A, Mayoral, T, Medina, M, Martinez-Ripoll, M, Martinez-Julvez, M, Sanz-Aparicio, J, Gomez-Moreno, C. | | 登録日 | 1998-06-25 | | 公開日 | 1998-11-04 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Role of Arg100 and Arg264 from Anabaena PCC 7119 ferredoxin-NADP+ reductase for optimal NADP+ binding and electron transfer.
Biochemistry, 37, 1998
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5JGB
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 10 | | 分子名称: | N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | | 著者 | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | 登録日 | 2016-04-20 | | 公開日 | 2016-07-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
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7ABU
 | | Structure of SARS-CoV-2 Main Protease bound to RS102895 | | 分子名称: | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | 著者 | Guenther, S, Reinke, P.Y.A, 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, Lane, T.J, Dunkel, I, 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 | 2020-09-08 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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8IRG
 | | 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
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8IR6
 | | 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
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8IRB
 | | 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
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8IRH
 | | 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
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8IRF
 | | 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
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7ADW
 | | 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
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8IR7
 | | 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
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8IR8
 | | 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
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8IRE
 | | 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
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8IRC
 | | 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
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8IR5
 | | 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
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8IRI
 | | 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
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8IR9
 | | 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
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8IRA
 | | 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
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8IRD
 | | 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
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5JGA
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 11c | | 分子名称: | N-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | | 著者 | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | 登録日 | 2016-04-19 | | 公開日 | 2016-07-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
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8U37
 | | Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with NVP-CJL037 at 2.48-A resolution | | 分子名称: | (6M)-3-amino-N-{4-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]pyridin-3-yl}-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide, MAGNESIUM ION, Protein kinase C alpha type | | 著者 | Romanowski, M.J, Lam, J, Visser, M. | | 登録日 | 2023-09-07 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma.
J.Med.Chem., 67, 2024
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1Q6Z
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4YE0
 | | Stress-induced protein 1 truncation mutant (43 - 140) from Caenorhabditis elegans | | 分子名称: | SULFATE ION, Stress-induced protein 1 | | 著者 | Fleckenstein, T, Kastenmueller, A, Stein, M.L, Peters, C, Daake, M, Krause, M, Weinfurtner, D, Haslbeck, M, Weinkauf, S, Groll, M, Buchner, J. | | 登録日 | 2015-02-23 | | 公開日 | 2015-06-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Chaperone Activity of the Developmental Small Heat Shock Protein Sip1 Is Regulated by pH-Dependent Conformational Changes.
Mol.Cell, 58, 2015
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7A1U
 | | Structure of SARS-CoV-2 Main Protease bound to Fusidic Acid. | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, FUSIDIC ACID, ... | | 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, Andaleeb, H, Werner, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, 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 | 2020-08-14 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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5JOG
 | | CRYSTAL STRUCTURE OF CSN5(2-257) IN COMPLEX WITH CNS5i-3 | | 分子名称: | 3-(difluoromethyl)-N-{6-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-yl}-1-(propan-2-yl)-1H-pyrazole-5-carboxamide, COP9 signalosome complex subunit 5, ZINC ION | | 著者 | Renatus, M, Wiesmann, C. | | 登録日 | 2016-05-02 | | 公開日 | 2016-11-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Targeted inhibition of the COP9 signalosome for treatment of cancer.
Nat Commun, 7, 2016
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8UAK
 | | Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with Darovasertib (NVP-LXS196) at 2.82-A resolution | | 分子名称: | (6M)-3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide, Protein kinase C alpha type | | 著者 | Romanowski, M.J, Lam, J, Visser, M. | | 登録日 | 2023-09-21 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | | 主引用文献 | Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma.
J.Med.Chem., 67, 2024
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