1F5R
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![BU of 1f5r by Molmil](/molmil-images/mine/1f5r) | RAT TRYPSINOGEN MUTANT COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR | Descriptor: | CALCIUM ION, PANCREATIC TRYPSIN INHIBITOR, TRYPSIN II, ... | Authors: | Pasternak, A, White, A, Cahoon, M, Ringe, D, Hedstrom, L. | Deposit date: | 2000-06-15 | Release date: | 2001-07-04 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The energetic cost of induced fit catalysis: Crystal structures of trypsinogen mutants with enhanced activity and inhibitor affinity. Protein Sci., 10, 2001
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3DAA
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![BU of 3daa by Molmil](/molmil-images/mine/3daa) | |
7JXG
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![BU of 7jxg by Molmil](/molmil-images/mine/7jxg) | Structural model for Fe-containing human acireductone dioxygenase | Descriptor: | 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, FE (II) ION | Authors: | Pochapsky, T.C, Liu, X, Deshpande, A, Ringe, D, Garber, A, Ryan, J. | Deposit date: | 2020-08-27 | Release date: | 2020-11-18 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A Model for the Solution Structure of Human Fe(II)-Bound Acireductone Dioxygenase and Interactions with the Regulatory Domain of Matrix Metalloproteinase I (MMP-I). Biochemistry, 59, 2020
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2AAT
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![BU of 2aat by Molmil](/molmil-images/mine/2aat) | 2.8-ANGSTROMS-RESOLUTION CRYSTAL STRUCTURE OF AN ACTIVE-SITE MUTANT OF ASPARTATE AMINOTRANSFERASE FROM ESCHERICHIA COLI | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ASPARTATE AMINOTRANSFERASE, SULFATE ION | Authors: | Smith, D, Almo, S.C, Toney, M, Ringe, D. | Deposit date: | 1989-05-30 | Release date: | 1989-10-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 2.8-A-resolution crystal structure of an active-site mutant of aspartate aminotransferase from Escherichia coli. Biochemistry, 28, 1989
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3PAA
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![BU of 3paa by Molmil](/molmil-images/mine/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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1ASA
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![BU of 1asa by Molmil](/molmil-images/mine/1asa) | |
3PA9
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![BU of 3pa9 by Molmil](/molmil-images/mine/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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3IAE
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![BU of 3iae by Molmil](/molmil-images/mine/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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3IAF
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![BU of 3iaf by Molmil](/molmil-images/mine/3iaf) | Structure of benzaldehyde lyase A28S mutant with monomethyl benzoylphosphonate | Descriptor: | Benzaldehyde lyase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | 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 (2.8 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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1DAA
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![BU of 1daa by Molmil](/molmil-images/mine/1daa) | |
2GMT
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![BU of 2gmt by Molmil](/molmil-images/mine/2gmt) | THREE-DIMENSIONAL STRUCTURE OF CHYMOTRYPSIN INACTIVATED WITH (2S) N-ACETYL-L-ALANYL-L-PHENYLALANYL-CHLOROETHYL KETONE: IMPLICATIONS FOR THE MECHANISM OF INACTIVATION OF SERINE PROTEASES BY CHLOROKETONES | Descriptor: | (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-CHLOROETHYLKETONE, GAMMA-CHYMOTRYPSIN | Authors: | Kreutter, K, Steinmetz, A.C.U, Liang, T.-C, Prorok, M, Abeles, R, Ringe, D. | Deposit date: | 1994-09-07 | Release date: | 1994-11-01 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional structure of chymotrypsin inactivated with (2S)-N-acetyl-L-alanyl-L-phenylalanyl alpha-chloroethane: implications for the mechanism of inactivation of serine proteases by chloroketones. Biochemistry, 33, 1994
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2ACU
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![BU of 2acu by Molmil](/molmil-images/mine/2acu) | TYROSINE-48 IS THE PROTON DONOR AND HISTIDINE-110 DIRECTS SUBSTRATE STEREOCHEMICAL SELECTIVITY IN THE REDUCTION REACTION OF HUMAN ALDOSE REDUCTASE: ENZYME KINETICS AND THE CRYSTAL STRUCTURE OF THE Y48H MUTANT ENZYME | Descriptor: | ALDOSE REDUCTASE, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Bohren, K.M, Grimshaw, C.E, Lai, C.-J, Gabbay, K.H, Petsko, G.A, Harrison, D.H, Ringe, D. | Deposit date: | 1994-04-15 | Release date: | 1994-07-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Tyrosine-48 is the proton donor and histidine-110 directs substrate stereochemical selectivity in the reduction reaction of human aldose reductase: enzyme kinetics and crystal structure of the Y48H mutant enzyme. Biochemistry, 33, 1994
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5UGQ
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![BU of 5ugq by Molmil](/molmil-images/mine/5ugq) | Crystal Structure of Hip1 (Rv2224c) | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2017-01-09 | Release date: | 2017-04-12 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.609 Å) | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c). Biochemistry, 56, 2017
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4MGR
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![BU of 4mgr by Molmil](/molmil-images/mine/4mgr) | The crystal structure of Bacillus subtilis GabR, an autorepressor and PLP- and GABA-dependent transcriptional activator of gabT | Descriptor: | ACETATE ION, HTH-type transcriptional regulatory protein GabR, IMIDAZOLE, ... | Authors: | Wu, R, Edayathumangalam, R, Garcia, R, Wang, Y, Wang, W, Kreinbring, C.A, Bach, A, Liao, J, Stone, T, Terwilliger, T, Hoang, Q.Q, Belitsky, B.R, Petsko, G.A, Ringe, D, Liu, D. | Deposit date: | 2013-08-28 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT. Proc.Natl.Acad.Sci.USA, 110, 2013
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5T4K
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![BU of 5t4k by Molmil](/molmil-images/mine/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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5UOH
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![BU of 5uoh by Molmil](/molmil-images/mine/5uoh) | Crystal Structure of Hip1 (Rv2224c) T466A mutant | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Baikovitz, J, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2017-01-31 | Release date: | 2017-04-12 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.609 Å) | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c). Biochemistry, 56, 2017
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4N0B
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![BU of 4n0b by Molmil](/molmil-images/mine/4n0b) | Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of GabT | Descriptor: | ACETYL GROUP, CALCIUM ION, HTH-type transcriptional regulatory protein GabR, ... | Authors: | Edayathumangalam, R, Wu, R, Garcia, R, Wang, Y, Wang, W, Kreinbring, C.A, Bach, A, Liao, J, Stone, T, Terwilliger, T, Hoang, Q.Q, Belitsky, B.R, Petsko, G.A, Ringe, D, Liu, D. | Deposit date: | 2013-10-01 | Release date: | 2013-10-30 | Last modified: | 2014-04-02 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT. Proc.Natl.Acad.Sci.USA, 110, 2013
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5UNO
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![BU of 5uno by Molmil](/molmil-images/mine/5uno) | Crystal Structure of Hip1 (Rv2224c) | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2017-01-31 | Release date: | 2017-04-12 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c). Biochemistry, 56, 2017
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5T4J
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![BU of 5t4j by Molmil](/molmil-images/mine/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
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![BU of 5t4l by Molmil](/molmil-images/mine/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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2FOF
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![BU of 2fof by Molmil](/molmil-images/mine/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
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![BU of 2fob by Molmil](/molmil-images/mine/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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2FOA
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![BU of 2foa by Molmil](/molmil-images/mine/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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2FO9
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![BU of 2fo9 by Molmil](/molmil-images/mine/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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2FOH
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![BU of 2foh by Molmil](/molmil-images/mine/2foh) | 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 (1.8 Å) | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration J.Mol.Biol., 357, 2006
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