7BFB
 
 | | Crystal structure of ebselen covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | 分子名称: | 1,2-ETHANEDIOL, Main Protease, N-phenyl-2-selanylbenzamide, ... | | 著者 | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | | 登録日 | 2021-01-02 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Crystal structure of ebselen covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
To Be Published
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7BE7
 | | Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ... | | 著者 | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | | 登録日 | 2020-12-22 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
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7BB2
 | | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.6A resolution (spacegroup P2(1)2(1)2(1)) | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ... | | 著者 | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | | 登録日 | 2020-12-16 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
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7BGP
 | | Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in absence of DTT. | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ... | | 著者 | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | | 登録日 | 2021-01-08 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
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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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4RO2
 | | Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Methylammonium | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, Potassium channel protein, ... | | 著者 | De March, M, Napolitano, L.M.R, Onesti, S. | | 登録日 | 2014-10-27 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Proc.Natl.Acad.Sci.USA, 112, 2015
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7Z6G
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7Z6J
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7Z6D
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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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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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7BGO
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7P8R
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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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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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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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4R50
 | | Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Li+ | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, Potassium channel protein | | 著者 | De March, M, Napolitano, L.M.R, Onesti, S. | | 登録日 | 2014-08-20 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4R7C
 | | Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with DiMethylammonium | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYLAMINE, GLYCINE, ... | | 著者 | De March, M, Napolitano, L.M.R, Onesti, S. | | 登録日 | 2014-08-27 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4R6Z
 | | Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, Cs+ complex | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CESIUM ION, GLYCINE, ... | | 著者 | De March, M, Napolitano, L.M.R, Onesti, S. | | 登録日 | 2014-08-26 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4R8C
 | | Crystal Structure of CNG mimicking NaK-ETPP mutant in complex with Rb+ | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, Potassium channel protein, ... | | 著者 | De March, M, Napolitano, L.M.R, Onesti, S. | | 登録日 | 2014-09-01 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4RAI
 | | Crystal Structure of CNG mimicking NaK-ETPP mutant in complex with Na+ | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, Potassium channel protein, ... | | 著者 | De March, M, Napolitano, L.M.R, Onesti, S. | | 登録日 | 2014-09-10 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Proc.Natl.Acad.Sci.USA, 112, 2015
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