7PTF
| Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with novobiocin | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA gyrase subunit B, ... | 著者 | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | 登録日 | 2021-09-27 | 公開日 | 2022-10-05 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PTG
| Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL2888 | 分子名称: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | 著者 | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | 登録日 | 2021-09-27 | 公開日 | 2022-10-05 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PQI
| Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin | 分子名称: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN | 著者 | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | 登録日 | 2021-09-17 | 公開日 | 2022-09-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PQM
| Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888 | 分子名称: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | 著者 | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | 登録日 | 2021-09-17 | 公開日 | 2022-09-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PQL
| Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704 | 分子名称: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | 著者 | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | 登録日 | 2021-09-17 | 公開日 | 2022-09-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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8ILR
| Cryo-EM structure of PI3Kalpha in complex with compound 16 | 分子名称: | N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | 登録日 | 2023-03-04 | 公開日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | 主引用文献 | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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8ILV
| Cryo-EM structure of PI3Kalpha in complex with compound 18 | 分子名称: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | 登録日 | 2023-03-04 | 公開日 | 2023-09-06 | 実験手法 | ELECTRON MICROSCOPY (3.19 Å) | 主引用文献 | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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8ILS
| Cryo-EM structure of PI3Kalpha in complex with compound 17 | 分子名称: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | 登録日 | 2023-03-04 | 公開日 | 2023-09-13 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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4Y0I
| GABA-aminotransferase inactivated by conformationally-restricted inactivator | 分子名称: | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, 4-aminobutyrate aminotransferase, mitochondrial, ... | 著者 | Wu, R, Sanishvili, R, Lee, H.V, Dustin, D.H, Emma, D, Neil, K, Silverman, R.B, Liu, D. | 登録日 | 2015-02-06 | 公開日 | 2016-02-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.662 Å) | 主引用文献 | GABA-aminotransferase inactivated by conformationally-restricted inactivator To Be Published
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3BD9
| human 3-O-sulfotransferase isoform 5 with bound PAP | 分子名称: | ADENOSINE-3'-5'-DIPHOSPHATE, Heparan sulfate glucosamine 3-O-sulfotransferase 5 | 著者 | Xu, D, Moon, A.F, Song, D, Liu, J, Pedersen, L.C. | 登録日 | 2007-11-14 | 公開日 | 2008-01-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Engineering sulfotransferases to modify heparan sulfate. Nat.Chem.Biol., 4, 2008
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6N3R
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2YEN
| Solution structure of the skeletal muscle and neuronal voltage gated sodium channel antagonist mu-conotoxin CnIIIC | 分子名称: | Mu-conotoxin CnIIIC | 著者 | Favreau, P, Benoit, E, Hocking, H.G, Carlier, L, D'hoedt, D, Leipold, E, Markgraf, R, Schlumberger, S, Cordova, M.A, Gaertner, H, Paolini-Bertrand, M, Hartley, O, Tytgat, J, Heinemann, S.H, Bertrand, D, Boelens, R, Stocklin, R, Molgo, J. | 登録日 | 2011-03-28 | 公開日 | 2012-02-08 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | A Novel Mu-Conopeptide, Cniiic, Exerts Potent and Preferential Inhibition of Na(V) 1.2/1.4 Channels and Blocks Neuronal Nicotinic Acetylcholine Receptors. Br.J.Pharmacol., 166, 2012
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2YCP
| F448H mutant of tyrosine phenol-lyase from Citrobacter freundii in complex with quinonoid intermediate formed with 3-fluoro-L-tyrosine | 分子名称: | (2E)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}propanoic acid, 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ... | 著者 | Milic, D, Demidkina, T.V, Faleev, N.G, Phillips, R.S, Matkovic-Calogovic, D, Antson, A.A. | 登録日 | 2011-03-16 | 公開日 | 2011-09-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystallographic Snapshots of Tyrosine Phenol-Lyase Show that Substrate Strain Plays a Role in C-C Bond Cleavage J.Am.Chem.Soc., 133, 2011
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2YCN
| Y71F mutant of tyrosine phenol-lyase from Citrobacter freundii in complex with quinonoid intermediate formed with 3-fluoro-L-tyrosine | 分子名称: | (2E)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}propanoic acid, DI(HYDROXYETHYL)ETHER, POTASSIUM ION, ... | 著者 | Milic, D, Demidkina, T.V, Faleev, N.G, Phillips, R.S, Matkovic-Calogovic, D, Antson, A.A. | 登録日 | 2011-03-16 | 公開日 | 2011-09-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Crystallographic Snapshots of Tyrosine Phenol-Lyase Show that Substrate Strain Plays a Role in C-C Bond Cleavage J.Am.Chem.Soc., 133, 2011
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5HNG
| DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole, SULFATE ION | 著者 | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | 登録日 | 2016-01-18 | 公開日 | 2016-06-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Discovery of novel 7-azaindoles as PDK1 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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2YF9
| STRUCTURAL AND FUNCTIONAL INSIGHTS OF DR2231 PROTEIN, THE MAZG-LIKE NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDROLASE FROM DEINOCOCCUS RADIODURANS, NATIVE FORM | 分子名称: | CHLORIDE ION, MAZG-LIKE NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDROLASE | 著者 | Goncalves, A.M.D, De Sanctis, D, Mcsweeney, S.M. | 登録日 | 2011-04-04 | 公開日 | 2011-07-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.899 Å) | 主引用文献 | Structural and Functional Insights Into Dr2231 Protein, the Mazg-Like Nucleoside Triphosphate Pyrophosphohydrolase from Deinococcus Radiodurans. J.Biol.Chem., 286, 2011
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2Y8Q
| Structure of the regulatory fragment of mammalian AMPK in complex with one ADP | 分子名称: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | 著者 | Xiao, B, Sanders, M.J, Underwood, E, Heath, R, Mayer, F, Carmena, D, Jing, C, Walker, P.A, Eccleston, J.F, Haire, L.F, Saiu, P, Howell, S.A, Aasland, R, Martin, S.R, Carling, D, Gamblin, S.J. | 登録日 | 2011-02-09 | 公開日 | 2011-03-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of Mammalian Ampk and its Regulation by Adp Nature, 472, 2011
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7O8K
| NmHR light state structure at 300 us after photoexcitation determined by serial femtosecond crystallography (with extrapolated, dark and light dataset) | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chloride pumping rhodopsin, OLEIC ACID, ... | 著者 | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | 登録日 | 2021-04-15 | 公開日 | 2022-02-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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7O8M
| NmHR light state structure at 2.5 ms (0 - 5 ms) after photoexcitation determined by serial millisecond crystallography | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chloride pumping rhodopsin, OLEIC ACID, ... | 著者 | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | 登録日 | 2021-04-15 | 公開日 | 2022-02-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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7O8Q
| NmHR light state structure at 22.5 ms (20 - 25 ms) after photoexcitation determined by serial millisecond crystallography | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ... | 著者 | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | 登録日 | 2021-04-15 | 公開日 | 2022-02-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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7O8Z
| Anomalous bromide substructure of NmHR under continuous illumination determined at 13.7 keV with serial crystallography | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BROMIDE ION, Chloride pumping rhodopsin, ... | 著者 | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | 登録日 | 2021-04-15 | 公開日 | 2022-02-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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4YEB
| Structural characterization of a synaptic adhesion complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibronectin leucine rich transmembrane protein 3, ... | 著者 | Ranaivoson, F.M, Liu, Q, Martini, F, Bergami, F, von Daake, S, Li, S, Lee, D, Demeler, B, Hendrickson, W.A, Comoletti, D. | 登録日 | 2015-02-23 | 公開日 | 2015-08-19 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | 主引用文献 | Structural and Mechanistic Insights into the Latrophilin3-FLRT3 Complex that Mediates Glutamatergic Synapse Development. Structure, 23, 2015
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7O8P
| NmHR light state structure at 17.5 ms (15 - 20 ms) after photoexcitation determined by serial millisecond crystallography | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chloride pumping rhodopsin, OLEIC ACID, ... | 著者 | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | 登録日 | 2021-04-15 | 公開日 | 2022-02-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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7O8F
| NmHR dark state structure determined by serial femtosecond crystallography | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ... | 著者 | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | 登録日 | 2021-04-15 | 公開日 | 2022-02-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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7O8H
| NmHR light state structure at 10 ns after photoexcitation determined by serial femtosecond crystallography (with extrapolated, dark and light dataset) | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ... | 著者 | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | 登録日 | 2021-04-15 | 公開日 | 2022-02-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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