3F6E
 
 | | Crystal structure of benzoylformate decarboxylase in complex with the pyridyl inhibitor 3-PKB | | Descriptor: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, MAGNESIUM ION | | Authors: | Brandt, G.S, McLeish, M.J, Kenyon, G.L, Petsko, G.A, Ringe, D, Jordan, F. | | Deposit date: | 2008-11-05 | | Release date: | 2008-12-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Detection and time course of formation of major thiamin diphosphate-bound covalent intermediates derived from a chromophoric substrate analogue on benzoylformate decarboxylase.
Biochemistry, 48, 2009
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3F6B
 | | Crystal structure of benzoylformate decarboxylase in complex with the pyridyl inhibitor PAA | | Descriptor: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, MAGNESIUM ION | | Authors: | Brandt, G.S, McLeish, M.J, Kenyon, G.L, Petsko, G.A, Ringe, D, Jordan, F. | | Deposit date: | 2008-11-05 | | Release date: | 2008-12-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Detection and time course of formation of major thiamin diphosphate-bound covalent intermediates derived from a chromophoric substrate analogue on benzoylformate decarboxylase.
Biochemistry, 48, 2009
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3FSJ
 | | Crystal structure of benzoylformate decarboxylase in complex with the inhibitor MBP | | Descriptor: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, CALCIUM ION | | Authors: | Brandt, G.S, Kenyon, G.L, McLeish, M.J, Jordan, F, Petsko, G.A, Ringe, D. | | Deposit date: | 2009-01-09 | | Release date: | 2009-01-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Snapshot of a reaction intermediate: analysis of benzoylformate decarboxylase in complex with a benzoylphosphonate inhibitor.
Biochemistry, 48, 2009
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3AAT
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1SBC
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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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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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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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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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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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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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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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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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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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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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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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1MDR
 | | THE ROLE OF LYSINE 166 IN THE MECHANISM OF MANDELATE RACEMASE FROM PSEUDOMONAS PUTIDA: MECHANISTIC AND CRYSTALLOGRAPHIC EVIDENCE FOR STEREOSPECIFIC ALKYLATION BY (R)-ALPHA-PHENYLGLYCIDATE | | Descriptor: | ATROLACTIC ACID (2-PHENYL-LACTIC ACID), MAGNESIUM ION, MANDELATE RACEMASE | | Authors: | Landro, J.A, Gerlt, J.A, Kozarich, J.W, Koo, C.W, Shah, V.J, Kenyon, G.L, Neidhart, D.J, Fujita, S, Petsko, G.A. | | Deposit date: | 1993-11-19 | | Release date: | 1994-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The role of lysine 166 in the mechanism of mandelate racemase from Pseudomonas putida: mechanistic and crystallographic evidence for stereospecific alkylation by (R)-alpha-phenylglycidate.
Biochemistry, 33, 1994
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1MBC
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2ETL
 | | Crystal Structure of Ubiquitin Carboxy-terminal Hydrolase L1 (UCH-L1) | | Descriptor: | CHLORIDE ION, Ubiquitin carboxyl-terminal hydrolase isozyme L1 | | Authors: | Das, C, Hoang, Q.Q, Kreinbring, C.A, Luchansky, S.J, Meray, R.K, Ray, S.S, Lansbury, P.T, Ringe, D, Petsko, G.A. | | Deposit date: | 2005-10-27 | | Release date: | 2006-03-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for conformational plasticity of the Parkinson's disease-associated ubiquitin hydrolase UCH-L1.
Proc.Natl.Acad.Sci.USA, 103, 2006
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2FOF
 | | Structure of porcine pancreatic elastase in 80% isopropanol | | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, SULFATE ION, ... | | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-01-13 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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2FOB
 | | Structure of porcine pancreatic elastase in 40/50/10 cyclohexane | | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, SULFATE ION, ... | | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-01-13 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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2FO9
 | | Structure of porcine pancreatic elastase in 95% acetone | | Descriptor: | ACETONE, CALCIUM ION, SULFATE ION, ... | | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-01-13 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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2FOA
 | | Structure of porcine pancreatic elastase in 40/50/10 % benzene | | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, SULFATE ION, ... | | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-01-13 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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2FOG
 | | Structure of porcine pancreatic elastase in 40% trifluoroethanol | | Descriptor: | CALCIUM ION, SULFATE ION, TRIFLUOROETHANOL, ... | | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-01-13 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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