1ELC
| Analogous inhibitors of elastase do not always bind analogously | Descriptor: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-phenylalaninamide, CALCIUM ION, ELASTASE | Authors: | Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D. | Deposit date: | 1993-12-07 | Release date: | 1994-04-30 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Analogous inhibitors of elastase do not always bind analogously. Nat.Struct.Biol., 1, 1994
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1ESA
| DIRECT STRUCTURE OBSERVATION OF AN ACYL-ENZYME INTERMEDIATE IN THE HYDROLYSIS OF AN ESTER SUBSTRATE BY ELASTASE | Descriptor: | CALCIUM ION, PORCINE PANCREATIC ELASTASE, SULFATE ION | Authors: | Ding, X, Rasmussen, B, Petsko, G.A, Ringe, D. | Deposit date: | 1994-02-04 | Release date: | 1994-04-30 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Direct structural observation of an acyl-enzyme intermediate in the hydrolysis of an ester substrate by elastase. Biochemistry, 33, 1994
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3PAA
| Mechanism of inactivation of E. coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid (S-ADFA) pH 8.0 | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminofuran-2-carboxylic acid, Aspartate aminotransferase, ... | Authors: | Liu, D, Pozharski, E, Fu, M, Silverman, R.B, Ringe, D. | Deposit date: | 2010-10-19 | Release date: | 2010-12-01 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of inactivation of Escherichia coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid . Biochemistry, 49, 2010
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2PRQ
| X-ray crystallographic characterization of the Co(II)-substituted Tris-bound form of the aminopeptidase from Aeromonas proteolytica | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterial leucyl aminopeptidase, COBALT (II) ION | Authors: | Munih, P, Moulin, A, Stamper, C.C, Bennet, B, Ringe, D, Petsko, G.A, Holz, R.C. | Deposit date: | 2007-05-04 | Release date: | 2007-06-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | X-ray crystallographic characterization of the Co(II)-substituted Tris-bound form of the aminopeptidase from Aeromonas proteolytica. J.Inorg.Biochem., 101, 2007
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1SCD
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1SOA
| Human DJ-1 with sulfinic acid | Descriptor: | RNA-binding protein regulatory subunit; oncogene DJ1 | Authors: | Canet-Aviles, R, Wilson, M.A, Miller, D.W, Ahmad, R, McLendon, C, Bandyopadhyay, S, Baptista, M.J, Ringe, D, Petsko, G.A, Cookson, M.R. | Deposit date: | 2004-03-13 | Release date: | 2004-06-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The Parkinson's disease protein DJ-1 is neuroprotective due to cysteine-sulfinic acid-driven mitochondrial localization. Proc.Natl.Acad.Sci.USA, 101, 2004
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3B3W
| Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus in complex with leucine | Descriptor: | Bacterial leucyl aminopeptidase, LEUCINE, SODIUM ION, ... | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | Deposit date: | 2007-10-22 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Biochemistry, 47, 2008
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3B7I
| Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus in complex with leucine phosphonic acid | Descriptor: | Bacterial leucyl aminopeptidase, LEUCINE, LEUCINE PHOSPHONIC ACID, ... | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | Deposit date: | 2007-10-30 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Biochemistry, 47, 2008
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1NIU
| ALANINE RACEMASE WITH BOUND INHIBITOR DERIVED FROM L-CYCLOSERINE | Descriptor: | Alanine Racemase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE | Authors: | Fenn, T.D, Stamper, G.F, Morollo, A.A, Ringe, D. | Deposit date: | 2002-12-26 | Release date: | 2003-09-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A side reaction of alanine racemase: transamination of cycloserine. Biochemistry, 42, 2003
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3B3T
| Crystal structure of the D118N mutant of the aminopeptidase from Vibrio proteolyticus | Descriptor: | Bacterial leucyl aminopeptidase, ISOLEUCINE, SODIUM ION, ... | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | Deposit date: | 2007-10-22 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Biochemistry, 47, 2008
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3SED
| Crystal Structure of Ketosteroid Isomerase Variant M105A from Pseudomonos putida | Descriptor: | Steroid Delta-isomerase | Authors: | Somarowthu, S, Brodkin, H.R, D'Aquino, J.A, Ringe, D, Ondrechen, M.J, Beuning, P.J. | Deposit date: | 2011-06-10 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.302 Å) | Cite: | A tale of two isomerases: compact versus extended active sites in ketosteroid isomerase and phosphoglucose isomerase. Biochemistry, 50, 2011
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3B3V
| Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus | Descriptor: | Bacterial leucyl aminopeptidase, SODIUM ION, THIOCYANATE ION, ... | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | Deposit date: | 2007-10-22 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Biochemistry, 47, 2008
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3PA9
| Mechanism of inactivation of E. coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid (S-ADFA) pH 7.5 | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminofuran-2-carboxylic acid, Aspartate aminotransferase, ... | Authors: | Liu, D, Pozharski, E, Fu, M, Silverman, R.B, Ringe, D. | Deposit date: | 2010-10-19 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of inactivation of Escherichia coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid . Biochemistry, 49, 2010
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1QRZ
| CATALYTIC DOMAIN OF PLASMINOGEN | Descriptor: | PLASMINOGEN | Authors: | Peisach, E, Wang, J, de los Santos, T, Reich, E, Ringe, D. | Deposit date: | 1999-06-16 | Release date: | 1999-10-14 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the proenzyme domain of plasminogen. Biochemistry, 38, 1999
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1R64
| The 2.2 A crystal structure of Kex2 protease in complex with Ac-Arg-Glu-Lys-boroArg peptidyl boronic acid inhibitor | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Holyoak, T, Kettner, C.A, Petsko, G.A, Fuller, R.S, Ringe, D. | Deposit date: | 2003-10-14 | Release date: | 2004-03-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for Differences in Substrate Selectivity in Kex2 and Furin Protein Convertases Biochemistry, 43, 2004
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1M54
| CYSTATHIONINE-BETA SYNTHASE: REDUCED VICINAL THIOLS | Descriptor: | CYSTATHIONINE BETA-SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Taoka, S, Lepore, B.W, Kabil, O, Ojha, S, Ringe, D, Banerjee, R. | Deposit date: | 2002-07-08 | Release date: | 2002-08-14 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | HUMAN CYSTATHIONINE BETA-SYNTHASE IS A HEME SENSOR PROTEIN. EVIDENCE THAT THE
REDOX SENSOR IS HEME AND NOT THE VICINAL CYSTEINES IN THE CXXC MOTIF SEEN IN THE CRYSTAL STRUCTURE OF THE TRUNCATED ENZYME BIOCHEMISTRY, 41, 2002
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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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1MUW
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1SFT
| ALANINE RACEMASE | Descriptor: | ACETATE ION, ALANINE RACEMASE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Shaw, J.P, Petsko, G.A, Ringe, D. | Deposit date: | 1996-09-20 | Release date: | 1997-02-12 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Determination of the structure of alanine racemase from Bacillus stearothermophilus at 1.9-A resolution. Biochemistry, 36, 1997
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1TXR
| X-ray crystal structure of bestatin bound to AAP | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, Bacterial leucyl aminopeptidase, ZINC ION | Authors: | Stamper, C.C, Holz, R.C, Ringe, D, Petsko, G.A. | Deposit date: | 2004-07-06 | Release date: | 2004-07-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Spectroscopic and X-ray Crystallographic Characterization of Bestatin Bound to the Aminopeptidase from Aeromonas (Vibrio) proteolytica. Biochemistry, 43, 2004
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1P92
| Crystal Structure of (H79A)DtxR | Descriptor: | BETA-MERCAPTOETHANOL, Diphtheria toxin repressor | Authors: | D'Aquino, J.A, Ringe, D. | Deposit date: | 2003-05-08 | Release date: | 2004-05-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Determinants of the SRC homology domain 3-like fold. J.Bacteriol., 185, 2003
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1Q0X
| Anti-morphine Antibody 9B1 Unliganded Form | Descriptor: | Fab 9B1, heavy chain, light chain, ... | Authors: | Pozharski, E, Wilson, M.A, Hewagama, A, Shanafelt, A.B, Petsko, G, Ringe, D. | Deposit date: | 2003-07-17 | Release date: | 2004-04-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Anchoring a cationic ligand: the structure of the Fab fragment of the anti-morphine antibody 9B1 and its complex with morphine J.Mol.Biol., 337, 2004
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1Q0Y
| Anti-Morphine Antibody 9B1 Complexed with Morphine | Descriptor: | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, Fab 9B1, Heavy chain, ... | Authors: | Pozharski, E, Wilson, M.A, Hewagama, A, Shanafelt, A.B, Petsko, G, Ringe, D. | Deposit date: | 2003-07-17 | Release date: | 2004-04-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Anchoring a cationic ligand: the structure of the Fab fragment of the anti-morphine antibody 9B1 and its complex with morphine J.Mol.Biol., 337, 2004
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1QIR
| ASPARTATE AMINOTRANSFERASE FROM ESCHERICHIA COLI, C191Y MUTATION, WITH BOUND MALEATE | Descriptor: | ASPARTATE AMINOTRANSFERASE, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Jeffery, C.J, Gloss, L.M, Petsko, G.A, Ringe, D. | Deposit date: | 1999-06-15 | Release date: | 2000-06-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Role of Residues Outside the Active Site in Catalysis: Structural Basis for Function of C191 Mutants of E. Coli Aspartate Aminotransferase Protein Eng., 13, 2000
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