3NDU
| HIV-1 Protease Saquinavir:Ritonavir 1:5 complex structure | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, CHLORIDE ION, ... | 著者 | Geremia, S, Olajuyigbe, F.M, Demitri, N. | 登録日 | 2010-06-08 | 公開日 | 2011-07-20 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures Cryst.Growth Des., 11, 2011
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3NDW
| HIV-1 Protease Saquinavir:Ritonavir 1:15 complex structure | 分子名称: | ACETATE ION, DIMETHYL SULFOXIDE, Protease, ... | 著者 | Geremia, S, Olajuyigbe, F.M, Demitri, N. | 登録日 | 2010-06-08 | 公開日 | 2011-07-20 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures Cryst.Growth Des., 11, 2011
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3NDT
| HIV-1 Protease Saquinavir:Ritonavir 1:1 complex structure | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Geremia, S, Olajuyigbe, F.M, Demitri, N. | 登録日 | 2010-06-08 | 公開日 | 2011-07-20 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures Cryst.Growth Des., 11, 2011
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3NDX
| HIV-1 Protease Saquinavir:Ritonavir 1:50 complex structure | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Geremia, S, Olajuyigbe, F.M, Demitri, N. | 登録日 | 2010-06-08 | 公開日 | 2011-07-20 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures Cryst.Growth Des., 11, 2011
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3O20
| Electron transfer complexes:experimental mapping of the Redox-dependent Cytochrome C electrostatic surface | 分子名称: | Cytochrome c, HEME C, NITRATE ION | 著者 | De March, M, De Zorzi, R, Casini, A, Messori, L, Geremia, S, Demitri, N, Gabbiani, C, Guerri, A. | 登録日 | 2010-07-22 | 公開日 | 2012-01-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Nitrate as a probe of cytochrome c surface: crystallographic identification of crucial "hot spots" for protein-protein recognition. J. Inorg. Biochem., 135, 2014
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3O1Y
| Electron transfer complexes: Experimental mapping of the redox-dependent cytochrome c electrostatic surface | 分子名称: | Cytochrome c, HEME C, NITRATE ION | 著者 | De March, M, De Zorzi, R, Demitri, N, Gabbiani, C, Guerri, A, Casini, A, Messori, L, Geremia, S. | 登録日 | 2010-07-22 | 公開日 | 2012-01-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Nitrate as a probe of cytochrome c surface: crystallographic identification of crucial "hot spots" for protein-protein recognition. J. Inorg. Biochem., 135, 2014
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7QQ0
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7Z6G
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7Z6J
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7Z6D
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7NPX
| Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-Methoxyquinoxalin-2-yl)propanoic acid at 24 hours of soaking | 分子名称: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | 登録日 | 2021-02-28 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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6RB1
| Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 1 | 分子名称: | (~{E})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{N}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | 著者 | Battistutta, R, Lolli, G. | 登録日 | 2019-04-08 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020
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6RCB
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6RCM
| Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 3 | 分子名称: | (~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | 著者 | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | 登録日 | 2019-04-11 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020
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6RFE
| Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 4 | 分子名称: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | 著者 | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | 登録日 | 2019-04-13 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020
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6RFF
| Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 7 | 分子名称: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | 著者 | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | 登録日 | 2019-04-14 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020
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7OSO
| The crystal structure of Erwinia tasmaniensis levansucrase in complex with (S)-1,2,4-butanentriol | 分子名称: | (2~{S})-butane-1,2,4-triol, Levansucrase (Beta-D-fructofuranosyl transferase), ZINC ION | 著者 | Polsinelli, I, Salomone-Stagni, M, Benini, S. | 登録日 | 2021-06-09 | 公開日 | 2022-06-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Erwinia tasmaniensis levansucrase shows enantiomer selection for (S)-1,2,4-butanetriol. Acta Crystallogr.,Sect.F, 78, 2022
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6H7H
| Crystal structure of redox-sensitive phosphoribulokinase (PRK) from Arabidopsis thaliana | 分子名称: | Phosphoribulokinase, chloroplastic | 著者 | Fermani, S, Sparla, F, Gurrieri, L, Falini, G, Trost, P. | 登録日 | 2018-07-31 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.471 Å) | 主引用文献 | ArabidopsisandChlamydomonasphosphoribulokinase crystal structures complete the redox structural proteome of the Calvin-Benson cycle. Proc.Natl.Acad.Sci.USA, 116, 2019
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7P8R
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7QPZ
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7QQ1
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7QPY
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7QPW
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7QFA
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7QM2
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