3KCO
 
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3KBN
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3KGG
 | | X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): Perdeuteration of proteins for neutron diffraction | | 分子名称: | CALCIUM ION, Diisopropyl-fluorophosphatase | | 著者 | Blum, M.-M, Tomanicek, S.J, John, H, Hanson, B.L, terjans, H.R, Schoenborn, B.P, Langan, P, Chen, J.C.-H. | | 登録日 | 2009-10-29 | | 公開日 | 2010-04-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): perdeuteration of proteins for neutron diffraction.
Acta Crystallogr.,Sect.F, 66, 2010
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4O22
 | | Binary complex of metal-free PKAc with SP20. | | 分子名称: | Phosphorylated peptide pSP20., cAMP-dependent protein kinase catalytic subunit alpha. | | 著者 | Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.S. | | 登録日 | 2013-12-16 | | 公開日 | 2014-05-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
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4O21
 | | Product complex of metal-free PKAc, ATP-gamma-S and SP20. | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Thio-phosphorylated peptide pSP20, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S. | | 登録日 | 2013-12-16 | | 公開日 | 2014-05-28 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
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4PDJ
 | | Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ | | 分子名称: | DIHYDROFOLIC ACID, Dihydrofolate reductase, MANGANESE (II) ION, ... | | 著者 | Wan, Q, Kovalevsky, A.Y, Wilson, M, Langan, P, Dealwis, C, Bennett, B. | | 登録日 | 2014-04-18 | | 公開日 | 2015-04-15 | | 最終更新日 | 2024-04-03 | | 実験手法 | NEUTRON DIFFRACTION (1.599 Å), X-RAY DIFFRACTION | | 主引用文献 | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4HKW
 | | Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with Substrate and Products | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endo-1,4-beta-xylanase 2, ... | | 著者 | Kovalevsky, A.Y, Wan, Q, Langan, P, Coates, L. | | 登録日 | 2012-10-15 | | 公開日 | 2014-01-08 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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4JEC
 | | Joint neutron and X-ray structure of per-deuterated HIV-1 protease in complex with clinical inhibitor amprenavir | | 分子名称: | CHLORIDE ION, HIV-1 protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | | 著者 | Kovalevsky, A.Y, Weber, I.T, Langan, P. | | 登録日 | 2013-02-26 | | 公開日 | 2013-07-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | NEUTRON DIFFRACTION (2.01 Å), X-RAY DIFFRACTION | | 主引用文献 | Joint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design.
J.Med.Chem., 56, 2013
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6WQF
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5EBJ
 | | Joint X-ray/neutron structure of reversibly photoswitching chromogenic protein, Dathail | | 分子名称: | photoswitching chromogenic protein | | 著者 | Kovalevsky, A.Y, Langan, P.S, Bradbury, A.R.M. | | 登録日 | 2015-10-19 | | 公開日 | 2016-04-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION | | 主引用文献 | Evolution and characterization of a new reversibly photoswitching chromogenic protein, Dathail.
J.Mol.Biol., 428, 2016
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2VS2
 | | Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor. | | 分子名称: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide | | 著者 | Coates, L, Tuan, H.-F, Tomanicek, S, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | | 登録日 | 2008-04-17 | | 公開日 | 2008-05-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | NEUTRON DIFFRACTION (2 Å) | | 主引用文献 | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
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5ZO0
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5ZKZ
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5ZIW
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5ZII
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3DAT
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3DAU
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3TMJ
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3U7T
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7TEH
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | | 分子名称: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | | 登録日 | 2022-01-05 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
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7TDU
 | | Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | | 登録日 | 2022-01-03 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-04-03 | | 実験手法 | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | | 主引用文献 | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
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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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3Q3L
 | | The neutron crystallographic structure of inorganic pyrophosphatase from Thermococcus thioreducens | | 分子名称: | CALCIUM ION, Tt-IPPase | | 著者 | Hughes, R.C, Coates, L, Blakeley, M.P, Tomanicek, S.J, Meehan, E.J, Garcia-Ruiz, J.M, Ng, J.D. | | 登録日 | 2010-12-22 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | NEUTRON DIFFRACTION (2.5 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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3Q4W
 | | The structure of archaeal inorganic pyrophosphatase in complex with substrate | | 分子名称: | BROMIDE ION, CALCIUM ION, PYROPHOSPHATE 2-, ... | | 著者 | Hughes, R.C, Meehan, E.J, Coates, L, Ng, J.D. | | 登録日 | 2010-12-24 | | 公開日 | 2012-01-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.441 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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8SUJ
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