4QE4
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4QDP
| Joint X-ray and neutron structure of Streptomyces rubiginosus D-xylose isomerase in complex with two Cd2+ ions and cyclic beta-L-arabinose | 分子名称: | CADMIUM ION, Xylose isomerase, beta-L-arabinopyranose | 著者 | Kovalevsky, A.Y, Langan, P. | 登録日 | 2014-05-14 | 公開日 | 2014-09-03 | 最終更新日 | 2024-02-28 | 実験手法 | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | 主引用文献 | L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study. Structure, 22, 2014
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4QEH
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4QE1
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4S2D
| Joint X-ray/neutron structure of Trichoderma reesei xylanase II in complex with MES at pH 5.7 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION | 著者 | Kovalevsky, A.Y, Wan, Q, Langan, P. | 登録日 | 2015-01-20 | 公開日 | 2015-09-23 | 最終更新日 | 2019-12-25 | 実験手法 | NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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5T8H
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5JPC
| Joint X-ray/neutron structure of MTAN complex with Formycin A | 分子名称: | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, Aminodeoxyfutalosine nucleosidase | 著者 | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | 登録日 | 2016-05-03 | 公開日 | 2016-11-16 | 最終更新日 | 2024-03-06 | 実験手法 | NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION | 主引用文献 | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5K1Z
| Joint X-ray/neutron structure of MTAN complex with p-ClPh-Thio-DADMe-ImmA | 分子名称: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase | 著者 | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | 登録日 | 2016-05-18 | 公開日 | 2016-11-16 | 最終更新日 | 2024-03-06 | 実験手法 | NEUTRON DIFFRACTION (2.6 Å), X-RAY DIFFRACTION | 主引用文献 | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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3D20
| Crystal structure of HIV-1 mutant I54V and inhibitor DARUNAVIA | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, HIV-1 Protease, ... | 著者 | Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T. | 登録日 | 2008-05-07 | 公開日 | 2008-05-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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3D1Z
| Crystal structure of HIV-1 mutant I54M and inhibitor DARUNAVIR | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | 著者 | Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T. | 登録日 | 2008-05-07 | 公開日 | 2008-05-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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3X2W
| Michaelis complex of cAMP-dependent Protein Kinase Catalytic Subunit | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ... | 著者 | Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T. | 登録日 | 2015-01-02 | 公開日 | 2015-12-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation. Structure, 23, 2015
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3X2V
| Michaelis-like complex of cAMP-dependent Protein Kinase Catalytic Subunit | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ... | 著者 | Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T. | 登録日 | 2015-01-02 | 公開日 | 2015-12-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation. Structure, 23, 2015
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3X2U
| Michaelis-like initial complex of cAMP-dependent Protein Kinase Catalytic Subunit. | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Substrate Peptide, ... | 著者 | Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T. | 登録日 | 2015-01-02 | 公開日 | 2015-12-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation. Structure, 23, 2015
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3U7T
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3TWH
| Selenium Derivatized RNA/DNA Hybrid in complex with RNase H Catalytic Domain D132N Mutant | 分子名称: | DNA (5'-D(*AP*TP*(SDG)P*TP*CP*(SDG))-3'), MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Rob, A, Gerlits, O, Jiang, J.S, Gan, J.H, Huang, Z. | 登録日 | 2011-09-21 | 公開日 | 2012-10-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Novel complex MAD phasing and RNase H structural insights using selenium oligonucleotides. Acta Crystallogr.,Sect.D, 70, 2014
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4Y0J
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3D1Y
| Crystal structure of HIV-1 mutant I54V and inhibitor SAQUINA | 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, HIV-1 Protease, ... | 著者 | Liu, F, Weber, I.T. | 登録日 | 2008-05-06 | 公開日 | 2008-05-27 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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3D1X
| Crystal structure of HIV-1 mutant I54M and inhibitor saquinavir | 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, GLYCEROL, ... | 著者 | Liu, F, Weber, I.T. | 登録日 | 2008-05-06 | 公開日 | 2008-06-03 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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3CYW
| Effect of Flap Mutations on Structure of HIV-1 Protease and Inhibition by Saquinavir and Darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, GLYCEROL, ... | 著者 | Liu, F, Weber, I.T. | 登録日 | 2008-04-27 | 公開日 | 2008-05-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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3CYX
| Crystal structure of HIV-1 mutant I50V and inhibitor saquinavira | 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, ACETIC ACID, GLYCEROL, ... | 著者 | Liu, F, Weber, I.T. | 登録日 | 2008-04-27 | 公開日 | 2008-05-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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4QXK
| Joint X-ray/neutron structure of PKGIbeta in complex with cGMP | 分子名称: | CYCLIC GUANOSINE MONOPHOSPHATE, SODIUM ION, cGMP-dependent protein kinase 1 | 著者 | Kim, C, Gerlits, O, Kovalevsky, A, Huang, G.Y. | 登録日 | 2014-07-21 | 公開日 | 2014-11-12 | 最終更新日 | 2024-02-28 | 実験手法 | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | 主引用文献 | Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design. Biochemistry, 53, 2014
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3NUJ
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3NUO
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3NU9
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3Q46
| Magnesium activated Inorganic pyrophosphatase from Thermococcus thioreducens bound to hydrolyzed product at 0.99 Angstrom resolution | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Hughes, R.C, Coates, L, Meehan, E.J, Ng, J.D. | 登録日 | 2010-12-23 | 公開日 | 2012-01-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | 主引用文献 | Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction. Acta Crystallogr.,Sect.F, 68, 2012
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