5T4J
| PLP and GABA Trigger GabR-Mediated Transcription Regulation in Bacillus subsidies via External Aldimine Formation | Descriptor: | GAMMA-AMINO-BUTANOIC ACID, HTH-type transcriptional regulatory protein GabR, PYRIDOXAL-5'-PHOSPHATE | Authors: | Wu, R, Sanishvili, R, Belitsky, B.R, Juncosa, J.I, Le, H.V, Lehrer, H.J.S, Farley, M, Silverman, R.B, Petsko, G.A, Ringe, D, Liu, D. | Deposit date: | 2016-08-29 | Release date: | 2017-03-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.231 Å) | Cite: | PLP and GABA trigger GabR-mediated transcription regulation in Bacillus subtilis via external aldimine formation. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5T4L
| PLP and GABA Trigger GabR-Mediated Transcription Regulation in Bacillus subsidies via External Aldimine Formation | Descriptor: | (4R)-4-amino-6-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}hexanoic acid, Aspartate aminotransferase | Authors: | Wu, R, Sanishvili, R, Belitsky, B.R, Juncosa, J.I, Le, H.V, Lehrer, H.J.S, Farley, M, Silverman, R.B, Petsko, G.A, Ringe, D, Liu, D. | Deposit date: | 2016-08-29 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | PLP and GABA trigger GabR-mediated transcription regulation in Bacillus subtilis via external aldimine formation. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5T4K
| PLP and GABA Trigger GabR-Mediated Transcription Regulation in Bacillus subsidies via External Aldimine Formation | Descriptor: | (4S)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid, HTH-type transcriptional regulatory protein GabR | Authors: | Wu, R, Sanishvili, R, Belitsky, B.R, Juncosa, J.I, Le, H.V, Lehrer, H.J.S, Farley, M, Silverman, R.B, Petsko, G.A, Ringe, D, Liu, D. | Deposit date: | 2016-08-29 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.245 Å) | Cite: | PLP and GABA trigger GabR-mediated transcription regulation in Bacillus subtilis via external aldimine formation. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3DHB
| 1.4 Angstrom Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homoserine Bound at The Catalytic Metal Center | Descriptor: | GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homoserine, ... | Authors: | Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D. | Deposit date: | 2008-06-17 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures. Biochemistry, 47, 2008
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3DHA
| An Ultral High Resolution Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homoserine Bound at An Alternative Site | Descriptor: | GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homoserine, ... | Authors: | Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D. | Deposit date: | 2008-06-17 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures. Biochemistry, 47, 2008
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3DHC
| 1.3 Angstrom Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homocysteine Bound to The catalytic Metal Center | Descriptor: | GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homocysteine, ... | Authors: | Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D. | Deposit date: | 2008-06-17 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures. Biochemistry, 47, 2008
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5DAA
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7GCH
| STRUCTURE OF CHYMOTRYPSIN-*TRIFLUOROMETHYL KETONE INHIBITOR COMPLEXES. COMPARISON OF SLOWLY AND RAPIDLY EQUILIBRATING INHIBITORS | Descriptor: | 1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE), GAMMA-CHYMOTRYPSIN A | Authors: | Brady, K, Ringe, D, Abeles, R.H. | Deposit date: | 1990-04-06 | Release date: | 1990-10-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of chymotrypsin-trifluoromethyl ketone inhibitor complexes: comparison of slowly and rapidly equilibrating inhibitors. Biochemistry, 29, 1990
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1XYC
| X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS | Descriptor: | 3-O-METHYLFRUCTOSE IN LINEAR FORM, MAGNESIUM ION, XYLOSE ISOMERASE | Authors: | Lavie, A, Allen, K.N, Petsko, G.A, Ringe, D. | Deposit date: | 1994-01-03 | Release date: | 1994-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | X-ray crystallographic structures of D-xylose isomerase-substrate complexes position the substrate and provide evidence for metal movement during catalysis. Biochemistry, 33, 1994
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1XYB
| X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS | Descriptor: | D-glucose, MAGNESIUM ION, XYLOSE ISOMERASE | Authors: | Lavie, A, Allen, K.N, Petsko, G.A, Ringe, D. | Deposit date: | 1994-01-03 | Release date: | 1994-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | X-ray crystallographic structures of D-xylose isomerase-substrate complexes position the substrate and provide evidence for metal movement during catalysis. Biochemistry, 33, 1994
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1XYA
| X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS | Descriptor: | HYDROXIDE ION, MAGNESIUM ION, XYLOSE ISOMERASE | Authors: | Lavie, A, Allen, K.N, Petsko, G.A, Ringe, D. | Deposit date: | 1994-01-03 | Release date: | 1994-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | X-ray crystallographic structures of D-xylose isomerase-substrate complexes position the substrate and provide evidence for metal movement during catalysis. Biochemistry, 33, 1994
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3FZW
| Crystal Structure of Ketosteroid Isomerase D40N-D103N from Pseudomonas putida (pKSI) with bound equilenin | Descriptor: | EQUILENIN, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Caaveiro, J.M.M, Ringe, D, Petsko, G.A. | Deposit date: | 2009-01-26 | Release date: | 2009-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Hydrogen bond coupling in the ketosteroid isomerase active site. Biochemistry, 48, 2009
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2GYI
| DESIGN, SYNTHESIS, AND CHARACTERIZATION OF A POTENT XYLOSE ISOMERASE INHIBITOR, D-THREONOHYDROXAMIC ACID, AND HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHIC STRUCTURE OF THE ENZYME-INHIBITOR COMPLEX | Descriptor: | 2,3,4,N-TETRAHYDROXY-BUTYRIMIDIC ACID, MAGNESIUM ION, XYLOSE ISOMERASE | Authors: | Allen, K.N, Lavie, A, Petsko, G.A, Ringe, D. | Deposit date: | 1994-09-01 | Release date: | 1995-07-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design, Synthesis, and Characterization of a Potent Xylose Isomerase Inhibitor, D-Threonohydroxamic Acid, and High-Resolution X-Ray Crystallographic Structure of the Enzyme-Inhibitor Complex Biochemistry, 34, 1995
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2TDX
| DIPHTHERIA TOX REPRESSOR (C102D MUTANT) COMPLEXED WITH NICKEL | Descriptor: | DIPHTHERIA TOX REPRESSOR, NICKEL (II) ION | Authors: | White, A, Ding, X, Zheng, H, Schiering, N, Ringe, D, Murphy, J.R. | Deposit date: | 1998-06-22 | Release date: | 1998-10-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the metal-ion-activated diphtheria toxin repressor/tox operator complex. Nature, 394, 1998
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2SFP
| ALANINE RACEMASE WITH BOUND PROPIONATE INHIBITOR | Descriptor: | PROPANOIC ACID, PROTEIN (ALANINE RACEMASE), PYRIDOXAL-5'-PHOSPHATE | Authors: | Morollo, A.A, Petsko, G.A, Ringe, D. | Deposit date: | 1999-02-16 | Release date: | 1999-02-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a Michaelis complex analogue: propionate binds in the substrate carboxylate site of alanine racemase. Biochemistry, 38, 1999
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3LQS
| Complex Structure of D-Amino Acid Aminotransferase and 4-amino-4,5-dihydro-thiophenecarboxylic acid (ADTA) | Descriptor: | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, ACETIC ACID, D-alanine aminotransferase | Authors: | Lepore, B.W, Liu, D, Peng, Y, Fu, M, Yasuda, C, Manning, J.M, Silverman, R.B, Ringe, D. | Deposit date: | 2010-02-10 | Release date: | 2010-03-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Chiral discrimination among aminotransferases: inactivation by 4-amino-4,5-dihydrothiophenecarboxylic acid. Biochemistry, 49, 2010
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4GCH
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2INX
| Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol | Descriptor: | 2,6-DIFLUOROPHENOL, Steroid delta-isomerase | Authors: | Martinez Caaveiro, J.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P, Kraut, D, Herschlag, D. | Deposit date: | 2006-10-09 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole. J.Am.Chem.Soc., 130, 2008
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6C4P
| Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PMP Complex | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, CALCIUM ION, ... | Authors: | Kreinbring, C.A, Tu, Y, Liu, D, Berkowitz, D.B, Petsko, G.A, Ringe, D. | Deposit date: | 2018-01-12 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time. Biochemistry, 57, 2018
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6C2Z
| Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PLP-Aminoacrylate Intermediate | Descriptor: | 1,2-ETHANEDIOL, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CALCIUM ION, ... | Authors: | Kreinbring, C.A, Tu, Y, Liu, D, Petsko, G.A, Ringe, D. | Deposit date: | 2018-01-09 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time. Biochemistry, 57, 2018
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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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6C2Q
| Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PLP-L-Serine Intermediate | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kreinbring, C.A, Tu, Y, Liu, D, Petsko, G.A, Ringe, D. | Deposit date: | 2018-01-08 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time. Biochemistry, 57, 2018
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6C2H
| Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the Catalytic Core | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Kreinbring, C.A, Tu, Y, Liu, D, Petsko, G.A, Ringe, D. | Deposit date: | 2018-01-08 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time. Biochemistry, 57, 2018
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2DAB
| L201A MUTANT OF D-AMINO ACID AMINOTRANSFERASE COMPLEXED WITH PYRIDOXAL-5'-PHOSPHATE | Descriptor: | D-AMINO ACID AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Sugio, S, Kashima, A, Kishimoto, K, Peisach, D, Petsko, G.A, Ringe, D, Yoshimura, T, Esaki, N. | Deposit date: | 1997-11-30 | Release date: | 1998-06-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of L201A mutant of D-amino acid aminotransferase at 2.0 A resolution: implication of the structural role of Leu201 in transamination. Protein Eng., 11, 1998
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1TPB
| OFFSET OF A CATALYTIC LESION BY A BOUND WATER SOLUBLE | 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: | 1994-02-03 | Release date: | 1995-02-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structural basis for pseudoreversion of the E165D lesion by the secondary S96P mutation in triosephosphate isomerase depends on the positions of active site water molecules. Biochemistry, 34, 1995
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