5R46
| Crystal Structure of deuterated gamma-Chymotrypsin at pH 5.6, room temperature | 分子名称: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | 著者 | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | 登録日 | 2020-02-18 | 公開日 | 2021-09-01 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R4D
| Crystal Structure of gamma-Chymotrypsin at pH 9, cryo temperature | 分子名称: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | 著者 | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | 登録日 | 2020-02-18 | 公開日 | 2021-09-01 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R48
| Crystal Structure of gamma-Chymotrypsin at pH 5.6, room temperature | 分子名称: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | 著者 | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | 登録日 | 2020-02-18 | 公開日 | 2021-09-01 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R42
| Crystal Structure of deuterated gamma-Chymotrypsin at pH 7.5, room temperature | 分子名称: | IODIDE ION, gamma-Chymotrypsin, peptide SWPW, ... | 著者 | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | 登録日 | 2020-02-18 | 公開日 | 2021-09-01 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R44
| Crystal Structure of gamma-Chymotrypsin at pH 7.5, room temperature | 分子名称: | Chymotrypsinogen A, IODIDE ION, peptide SWPW, ... | 著者 | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | 登録日 | 2020-02-18 | 公開日 | 2021-09-01 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R4C
| Crystal Structure of gamma-Chymotrypsin at pH 9, room temperature | 分子名称: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | 著者 | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | 登録日 | 2020-02-18 | 公開日 | 2021-09-01 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R4B
| Crystal Structure of deuterated gamma-Chymotrypsin at pH 9, cryo temperature | 分子名称: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | 著者 | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | 登録日 | 2020-02-18 | 公開日 | 2021-09-01 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R47
| Crystal Structure of deuterated gamma-Chymotrypsin at pH 5.6, cryo temperature | 分子名称: | IODIDE ION, MALONIC ACID, gamma-chymotrypsin, ... | 著者 | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | 登録日 | 2020-02-18 | 公開日 | 2021-09-01 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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3I6O
| Crystal structure of wild type HIV-1 protease with macrocyclic inhibitor GRL-0216A | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate, GLYCEROL, IODIDE ION, ... | 著者 | Chumanevich, A.A, Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. | 登録日 | 2009-07-07 | 公開日 | 2009-09-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Design, Synthesis, Protein-Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance. J.Med.Chem., 52, 2009
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5C8I
| Joint X-ray/neutron structure of Human Carbonic Anhydrase II in complex with Methazolamide | 分子名称: | Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION | 著者 | Aggarwal, M, Kovalevsky, A.Y, Fisher, S.Z, McKenna, R. | 登録日 | 2015-06-25 | 公開日 | 2016-07-20 | 最終更新日 | 2024-03-06 | 実験手法 | NEUTRON DIFFRACTION (1.56 Å), X-RAY DIFFRACTION | 主引用文献 | Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patterns of an effective clinical drug. IUCrJ, 3, 2016
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5C6E
| Joint X-ray/neutron structure of equine cyanomet hemoglobin in R state | 分子名称: | CYANIDE ION, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Dajnowicz, S, Sean, S, Hanson, B.L, Fisher, S.Z, Langan, P, Kovalevsky, A.Y, Mueser, T.C. | 登録日 | 2015-06-22 | 公開日 | 2016-06-22 | 最終更新日 | 2024-03-06 | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | 主引用文献 | Visualizing the Bohr effect in hemoglobin: neutron structure of equine cyanomethemoglobin in the R state and comparison with human deoxyhemoglobin in the T state. Acta Crystallogr D Struct Biol, 72, 2016
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4QX5
| Neutron diffraction reveals hydrogen bonds critical for cGMP-selective activation: Insights for PKG agonist design | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, IODIDE ION, cGMP-dependent protein kinase 1 | 著者 | Huang, G.Y, Gerlits, O.O, Blakeley, M.P, Sankaran, B, Kovalevsky, A.Y, Kim, C. | 登録日 | 2014-07-18 | 公開日 | 2014-11-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.318 Å) | 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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5CCD
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5VJZ
| Joint X-ray/neutron structure of aspartate aminotransferase with alpha-methyl-aspartate at pH 7.5 | 分子名称: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, Aspartate aminotransferase, cytoplasmic | 著者 | Dajnowicz, S, Kovalevsky, A.Y, Mueser, T.C. | 登録日 | 2017-04-20 | 公開日 | 2017-11-01 | 最終更新日 | 2022-03-16 | 実験手法 | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | 主引用文献 | Direct visualization of critical hydrogen atoms in a pyridoxal 5'-phosphate enzyme. Nat Commun, 8, 2017
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5VK7
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5CCE
| Joint X-ray/neutron structure of wild type MTAN complexed with SRH and adenine | 分子名称: | 5'-Methylthioadenosine Nucleosidase, ADENINE, S-ribosylhomocysteine, ... | 著者 | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | 登録日 | 2015-07-02 | 公開日 | 2016-11-16 | 最終更新日 | 2023-09-27 | 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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7TUR
| Joint X-ray/neutron structure of aspastate aminotransferase (AAT) in complex with pyridoxamine 5'-phosphate (PMP) | 分子名称: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, ... | 著者 | Drago, V.N, Kovalevsky, A.Y, Dajnowicz, S, Mueser, T.C. | 登録日 | 2022-02-03 | 公開日 | 2022-09-28 | 最終更新日 | 2023-10-25 | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | 主引用文献 | An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction. Chem Sci, 13, 2022
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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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