5VJZ
| Joint X-ray/neutron structure of aspartate aminotransferase with alpha-methyl-aspartate at pH 7.5 | Descriptor: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, Aspartate aminotransferase, cytoplasmic | Authors: | Dajnowicz, S, Kovalevsky, A.Y, Mueser, T.C. | Deposit date: | 2017-04-20 | Release date: | 2017-11-01 | Last modified: | 2022-03-16 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | Direct visualization of critical hydrogen atoms in a pyridoxal 5'-phosphate enzyme. Nat Commun, 8, 2017
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3B80
| HIV-1 protease mutant I54V complexed with gem-diol-amine intermediate NLLTQI | Descriptor: | CHLORIDE ION, Protease, SODIUM ION, ... | Authors: | Chumanevich, A.A, Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2007-10-31 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Caught in the Act: The 1.5 A Resolution Crystal Structures of the HIV-1 Protease and the I54V Mutant Reveal a Tetrahedral Reaction Intermediate. Biochemistry, 46, 2007
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8EYS
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3NU3
| Wild Type HIV-1 Protease with Antiviral Drug Amprenavir | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | Authors: | Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2010-07-06 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters. Febs J., 277, 2010
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3NU4
| Crystal Structure of HIV-1 Protease Mutant V32I with Antiviral Drug Amprenavir | Descriptor: | CHLORIDE ION, SODIUM ION, protease, ... | Authors: | Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2010-07-06 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters. Febs J., 277, 2010
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5R42
| Crystal Structure of deuterated gamma-Chymotrypsin at pH 7.5, room temperature | Descriptor: | IODIDE ION, gamma-Chymotrypsin, peptide SWPW, ... | Authors: | 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. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | 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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5R49
| Crystal Structure of gamma-Chymotrypsin at pH 5.6, cryo temperature | Descriptor: | IODIDE ION, MALONATE ION, gamma-chymotrypsin, ... | Authors: | 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. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | 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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5R45
| Crystal Structure of gamma-Chymotrypsin at pH 7.5, cryo temperature | Descriptor: | Chymotrypsinogen A, IODIDE ION, MALONATE ION, ... | Authors: | 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. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | 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 | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | Authors: | 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. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | 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 | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | Authors: | 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. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | 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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5R4A
| Crystal Structure of deuterated gamma-Chymotrypsin at pH 9, room temperature | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | Authors: | 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. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | 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 | Descriptor: | Chymotrypsinogen A, IODIDE ION, peptide SWPW, ... | Authors: | 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. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | 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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5R46
| Crystal Structure of deuterated gamma-Chymotrypsin at pH 5.6, room temperature | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | Authors: | 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. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | 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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5R43
| Crystal Structure of deuterated gamma-Chymotrypsin at pH 7.5, cryo temperature | Descriptor: | Chymotrypsinogen A, IODIDE ION, MALONIC ACID, ... | Authors: | 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. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | 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 | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | Authors: | 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. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | 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 | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | Authors: | 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. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | 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 | Descriptor: | IODIDE ION, MALONIC ACID, gamma-chymotrypsin, ... | Authors: | 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. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | 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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4O22
| Binary complex of metal-free PKAc with SP20. | Descriptor: | Phosphorylated peptide pSP20., cAMP-dependent protein kinase catalytic subunit alpha. | Authors: | Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.S. | Deposit date: | 2013-12-16 | Release date: | 2014-05-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Thio-phosphorylated peptide pSP20, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S. | Deposit date: | 2013-12-16 | Release date: | 2014-05-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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+ | Descriptor: | DIHYDROFOLIC ACID, Dihydrofolate reductase, MANGANESE (II) ION, ... | Authors: | Wan, Q, Kovalevsky, A.Y, Wilson, M, Langan, P, Dealwis, C, Bennett, B. | Deposit date: | 2014-04-18 | Release date: | 2015-04-15 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.599 Å), X-RAY DIFFRACTION | Cite: | 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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6XKF
| The crystal structure of 3CL MainPro of SARS-CoV-2 with oxidized Cys145 (Sulfenic acid cysteine). | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION | Authors: | Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Coates, L, Kovalevskyi, A.Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-06-26 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of 3CL MainPro of SARS-CoV-2 with oxidized Cys145 (Sulfenic acid cysteine). To Be Published
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