3TGJ
 
 | | S195A TRYPSINOGEN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) | | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, SULFATE ION, ... | | Authors: | Pasternak, A, Ringe, D, Hedstrom, L. | | Deposit date: | 1998-07-16 | | Release date: | 1998-12-23 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Comparison of Anionic and Cationic Trypsinogens: The Anionic Activation Domain is More Flexible in Solution and Differs in its Mode of Bpti Binding in the Crystal Structure
Protein Sci., 8, 1999
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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: | 2012-12-12 | | 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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1EEP
 | | 2.4 A RESOLUTION CRYSTAL STRUCTURE OF BORRELIA BURGDORFERI INOSINE 5'-MONPHOSPHATE DEHYDROGENASE IN COMPLEX WITH A SULFATE ION | | Descriptor: | INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE, SULFATE ION | | Authors: | McMillan, F.M, Cahoon, M, White, A, Hedstrom, L, Petsko, G.A, Ringe, D. | | Deposit date: | 2000-02-01 | | Release date: | 2000-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure at 2.4 A resolution of Borrelia burgdorferi inosine 5'-monophosphate dehydrogenase: evidence of a substrate-induced hinged-lid motion by loop 6.
Biochemistry, 39, 2000
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1ELB
 | | Analogous inhibitors of elastase do not always bind analogously | | Descriptor: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-leucinamide, CALCIUM ION, ELASTASE, ... | | Authors: | Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D. | | Deposit date: | 1993-12-07 | | Release date: | 1994-06-22 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Analogous inhibitors of elastase do not always bind analogously.
Nat.Struct.Biol., 1, 1994
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1ELA
 | | Analogous inhibitors of elastase do not always bind analogously | | Descriptor: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-prolinamide, ACETIC ACID, CALCIUM ION, ... | | Authors: | Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D. | | Deposit date: | 1993-12-07 | | Release date: | 1994-04-30 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (2 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: | 2011-07-13 | | 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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3IAE
 | | Structure of benzaldehyde lyase A28S mutant with benzoylphosphonate | | 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, Benzaldehyde lyase, CALCIUM ION | | Authors: | Brandt, G.S, Petsko, G.A, Ringe, D, McLeish, M.J. | | Deposit date: | 2009-07-13 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Active-site engineering of benzaldehyde lyase shows that a point mutation can confer both new reactivity and susceptibility to mechanism-based inhibition.
J.Am.Chem.Soc., 132, 2010
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1FT7
 | | AAP COMPLEXED WITH L-LEUCINEPHOSPHONIC ACID | | Descriptor: | BACTERIAL LEUCYL AMINOPEPTIDASE, LEUCINE PHOSPHONIC ACID, POTASSIUM ION, ... | | Authors: | Stamper, C, Bennett, B, Holz, R, Petsko, G, Ringe, D. | | Deposit date: | 2000-09-11 | | Release date: | 2000-10-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibition of the aminopeptidase from Aeromonas proteolytica by L-leucinephosphonic acid. Spectroscopic and crystallographic characterization of the transition state of peptide hydrolysis.
Biochemistry, 40, 2001
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1WAL
 | | 3-ISOPROPYLMALATE DEHYDROGENASE (IPMDH) MUTANT (M219A)FROM THERMUS THERMOPHILUS | | Descriptor: | PROTEIN (3-ISOPROPYLMALATE DEHYDROGENASE) | | Authors: | Wallon, G, Kryger, G, Lovett, S.T, Oshima, T, Ringe, D, Petsko, G.A. | | Deposit date: | 1999-05-17 | | Release date: | 1999-05-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structures of Escherichia coli and Salmonella typhimurium 3-isopropylmalate dehydrogenase and comparison with their thermophilic counterpart from Thermus thermophilus.
J.Mol.Biol., 266, 1997
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3VGN
 | | Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 3-fluoro-4-nitrophenol | | Descriptor: | 3-fluoro-4-nitrophenol, Steroid Delta-isomerase | | Authors: | Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P.A. | | Deposit date: | 2011-08-16 | | Release date: | 2012-08-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Quantitative dissection of hydrogen bond-mediated proton transfer in the ketosteroid isomerase active site
Proc.Natl.Acad.Sci.USA, 110, 2013
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2Q7W
 | | Structural Studies Reveals the Inactivation of E. coli L-aspartate aminotransferase (S)-4,5-amino-dihydro-2-thiophenecarboxylic acid (SADTA) via two mechanisms at pH 6.0 | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ... | | Authors: | Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-06-07 | | Release date: | 2007-09-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Inactivation of Escherichia coli l-Aspartate Aminotransferase by (S)-4-Amino-4,5-dihydro-2-thiophenecarboxylic Acid Reveals "A Tale of Two Mechanisms".
Biochemistry, 46, 2007
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2QB2
 | | Structural Studies Reveal the Inactivation of E. coli L-aspartate aminotransferase by (s)-4,5-dihydro-2thiophenecarboylic acid (SADTA) via two mechanisms (at pH 7.0). | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ... | | Authors: | Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-06-15 | | Release date: | 2007-12-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inactivation of Escherichia coli L-aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid reveals "a tale of two mechanisms".
Biochemistry, 46, 2007
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2QB3
 | | Structural Studies Reveal the Inactivation of E. coli L-Aspartate Aminotransferase by (s)-4,5-dihydro-2-thiophenecarboxylic acid (SADTA) via Two Mechanisms (at pH 7.5) | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ... | | Authors: | Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-06-15 | | Release date: | 2007-12-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Inactivation of Escherichia coli L-aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid reveals "a tale of two mechanisms".
Biochemistry, 46, 2007
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2QBT
 | | Structural Studies Reveal The Inactivation of E. coli L-aspartate aminotransferase by (S)-4,5-amino-dihydro-2-thiophenecarboxylic acid (SADTA) via Two Mechanisms (at pH 8.0) | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ... | | Authors: | Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-06-18 | | Release date: | 2007-09-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Inactivation of Escherichia coli l-Aspartate Aminotransferase by (S)-4-Amino-4,5-dihydro-2-thiophenecarboxylic Acid Reveals "A Tale of Two Mechanisms".
Biochemistry, 46, 2007
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2QA3
 | | Structural Studies Reveal the Inactivation of E. coli L-aspartate aminotransferase by (S)-4,5-amino-dihydro-2-thiophenecarboxylic acid (SADTA) via two mechanisms (at pH6.5) | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ... | | Authors: | Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-06-14 | | Release date: | 2007-12-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Inactivation of Escherichia coli L-aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid reveals "a tale of two mechanisms".
Biochemistry, 46, 2007
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4JKJ
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3QXE
 | | Crystal Structure of Co-type Nitrile Hydratase from Pseudomonas putida. | | Descriptor: | COBALT (III) ION, Co-type Nitrile Hydratase alpha subunit, Co-type Nitrile Hydratase beta subunit, ... | | Authors: | Brodkin, H.R, Novak, W.R.P, Ringe, D, Petsko, G.A. | | Deposit date: | 2011-03-01 | | Release date: | 2011-03-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida.
Biochemistry, 50, 2011
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3QYH
 | | Crystal Structure of Co-type Nitrile Hydratase beta-H71L from Pseudomonas putida. | | Descriptor: | COBALT (III) ION, Co-type Nitrile Hydratase alpha subunit, Co-type Nitrile Hydratase beta subunit | | Authors: | Brodkin, H.R, Novak, W.R.P, Ringe, D, Petsko, G.A. | | Deposit date: | 2011-03-03 | | Release date: | 2011-03-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida.
Biochemistry, 50, 2011
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3QZ9
 | | Crystal structure of Co-type nitrile hydratase beta-Y215F from Pseudomonas putida. | | Descriptor: | COBALT (III) ION, Co-type Nitrile Hydratase alpha subunit, Co-type Nitrile Hydratase beta subunit, ... | | Authors: | Brodkin, H.R, Novak, W.R.P, Ringe, D, Petsko, G.A. | | Deposit date: | 2011-03-04 | | Release date: | 2011-03-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida.
Biochemistry, 50, 2011
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3QYG
 | | Crystal Structure of Co-type Nitrile Hydratase beta-E56Q from Pseudomonas putida. | | Descriptor: | COBALT (III) ION, Co-type Nitrile Hydratase alpha subunit, Co-type Nitrile Hydratase beta subunit, ... | | Authors: | Brodkin, H.R, Novak, W.R.P, Ringe, D, Petsko, G.A. | | Deposit date: | 2011-03-03 | | Release date: | 2011-03-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida.
Biochemistry, 50, 2011
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3QZ5
 | | Crystal Structure of Co-type Nitrile Hydratase alpha-E168Q from Pseudomonas putida. | | Descriptor: | COBALT (III) ION, Co-type Nitrile Hydratase alpha subunit, Co-type Nitrile Hydratase beta subunit, ... | | Authors: | Brodkin, H.R, Novak, W.R.P, Ringe, D, Petsko, G.A. | | Deposit date: | 2011-03-04 | | Release date: | 2011-03-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida.
Biochemistry, 50, 2011
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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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4QYX
 | | Crystal structure of YDR533Cp | | Descriptor: | Probable chaperone protein HSP31 | | Authors: | Wilson, M.A, Amour, S.T, Collins, J.L, Ringe, D, Petsko, G.A. | | Deposit date: | 2014-07-26 | | Release date: | 2014-08-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | The 1.8-A resolution crystal structure of YDR533Cp from Saccharomyces cerevisiae: A member of the DJ-1/ThiJ/PfpI superfamily.
Proc.Natl.Acad.Sci.USA, 101, 2004
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2A7M
 | | 1.6 Angstrom Resolution Structure of the Quorum-Quenching N-Acyl Homoserine Lactone Hydrolase of Bacillus thuringiensis | | Descriptor: | GLYCEROL, N-acyl homoserine lactone hydrolase, ZINC ION | | Authors: | Liu, D, Lepore, B.W, Petsko, G.A, Thomas, P.W, Stone, E.M, Fast, W, Ringe, D. | | Deposit date: | 2005-07-05 | | Release date: | 2005-08-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Three-dimensional structure of the quorum-quenching N-acyl homoserine lactone hydrolase from Bacillus thuringiensis
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1TPH
 | | 1.8 ANGSTROMS CRYSTAL STRUCTURE OF WILD TYPE CHICKEN TRIOSEPHOSPHATE ISOMERASE-PHOSPHOGLYCOLOHYDROXAMATE COMPLEX | | Descriptor: | PHOSPHOGLYCOLOHYDROXAMIC ACID, TRIOSEPHOSPHATE ISOMERASE | | Authors: | Zhang, Z, Sugio, S, Komives, E.A, Liu, K.D, Knowles, J.R, Petsko, G.A, Ringe, D. | | Deposit date: | 1993-12-22 | | Release date: | 1994-04-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of recombinant chicken triosephosphate isomerase-phosphoglycolohydroxamate complex at 1.8-A resolution.
Biochemistry, 33, 1994
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