4GCH
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3LQS
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![BU of 3lqs by Molmil](/molmil-images/mine/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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5VWQ
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![BU of 5vwq by Molmil](/molmil-images/mine/5vwq) | E.coli Aspartate aminotransferase-(1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP) | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase | Authors: | Mascarenhas, R, Lehrer, H, Liu, D, Ringe, D. | Deposit date: | 2017-05-22 | Release date: | 2017-08-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Selective Targeting by a Mechanism-Based Inactivator against Pyridoxal 5'-Phosphate-Dependent Enzymes: Mechanisms of Inactivation and Alternative Turnover. Biochemistry, 56, 2017
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1ELG
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![BU of 1elg by Molmil](/molmil-images/mine/1elg) | NATURE OF THE INACTIVATION OF ELASTASE BY N-PEPTIDYL-O-AROYL HYDROXYLAMINE AS A FUNCTION OF PH | Descriptor: | (TERT-BUTYLOXYCARBONYL)-ALANYL-ALANYL-AMINE, CALCIUM ION, PORCINE PANCREATIC ELASTASE | Authors: | Ding, X, Rasmussen, B, Demuth, H.-U, Ringe, D, Steinmetz, A.C.U. | Deposit date: | 1995-03-13 | Release date: | 1995-07-10 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Nature of the inactivation of elastase by N-peptidyl-O-aroyl hydroxylamine as a function of pH. Biochemistry, 34, 1995
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1EPV
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![BU of 1epv by Molmil](/molmil-images/mine/1epv) | ALANINE RACEMASE WITH BOUND INHIBITOR DERIVED FROM D-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: | 2000-03-29 | Release date: | 2003-01-14 | 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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3VGN
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![BU of 3vgn by Molmil](/molmil-images/mine/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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1MUW
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2FOC
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![BU of 2foc by Molmil](/molmil-images/mine/2foc) | Structure of porcine pancreatic elastase in 55% dimethylformamide | Descriptor: | CALCIUM ION, DIMETHYLFORMAMIDE, 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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1ELA
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![BU of 1ela by Molmil](/molmil-images/mine/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: | 2024-06-05 | 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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1MR3
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![BU of 1mr3 by Molmil](/molmil-images/mine/1mr3) | Saccharomyces cerevisiae ADP-ribosylation Factor 2 (ScArf2) complexed with GDP-3'P at 1.6A resolution | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, ADP-ribosylation factor 2, ... | Authors: | Amor, J.-C, Horton, J.R, Zhu, X, Wang, Y, Sullards, C, Ringe, D, Cheng, X, Kahn, R.A. | Deposit date: | 2002-09-17 | Release date: | 2002-11-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of yeast ARF2 and ARL1: distinct roles for the N terminus in the structure and function of ARF family GTPases. J.Biol.Chem., 276, 2001
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4PTH
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![BU of 4pth by Molmil](/molmil-images/mine/4pth) | Ensemble model for Escherichia coli dihydrofolate reductase at 100K | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | Deposit date: | 2014-03-10 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
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4PST
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![BU of 4pst by Molmil](/molmil-images/mine/4pst) | Multiconformer model for Escherichia coli dihydrofolate reductase at 277 K | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | Deposit date: | 2014-03-07 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
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4PSS
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![BU of 4pss by Molmil](/molmil-images/mine/4pss) | Multiconformer model for Escherichia coli dihydrofolate reductase at 100K | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | Deposit date: | 2014-03-07 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.849 Å) | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
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4PTJ
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![BU of 4ptj by Molmil](/molmil-images/mine/4ptj) | Ensemble model for Escherichia coli dihydrofolate reductase at 277K | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | Deposit date: | 2014-03-10 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
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5I8T
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![BU of 5i8t by Molmil](/molmil-images/mine/5i8t) | Structure of Mouse Acireductone dioxygenase with Ni2+ ion and D-lactic acid in the active site | Descriptor: | 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, ISOPROPYL ALCOHOL, LACTIC ACID, ... | Authors: | Deshpande, A.R, Wagenpfeil, K, Pochapsky, T.C, Petsko, G.A, Ringe, D. | Deposit date: | 2016-02-19 | Release date: | 2016-03-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Metal-Dependent Function of a Mammalian Acireductone Dioxygenase. Biochemistry, 55, 2016
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5I8Y
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![BU of 5i8y by Molmil](/molmil-images/mine/5i8y) | Structure of Mouse Acireductone Dioxygenase bound to Co2+ and 2-keto-4-(methylthio)-butyric acid | Descriptor: | 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, COBALT (II) ION | Authors: | Deshpande, A.R, Wagenpfeil, K, Pochapsky, T.C, Petsko, G.A, Ringe, D. | Deposit date: | 2016-02-19 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.942 Å) | Cite: | Metal-Dependent Function of a Mammalian Acireductone Dioxygenase. Biochemistry, 55, 2016
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5I93
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![BU of 5i93 by Molmil](/molmil-images/mine/5i93) | Structure of Mouse Acireductone dioxygenase with Ni2+ and 2-ketopentanoic acid in the active site | Descriptor: | 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, 2-oxopentanoic acid, NICKEL (II) ION | Authors: | Deshpande, A.R, Wagenpfeil, K, Pochapsky, T.C, Petsko, G.A, Ringe, D. | Deposit date: | 2016-02-19 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.236 Å) | Cite: | Metal-Dependent Function of a Mammalian Acireductone Dioxygenase. Biochemistry, 55, 2016
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5I91
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![BU of 5i91 by Molmil](/molmil-images/mine/5i91) | Structure of Mouse Acirecutone dioxygenase with to Ni2+ and 2-keto-4-(methylthio)-butyric acid in the active site | Descriptor: | 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, NICKEL (II) ION | Authors: | Deshpande, A.R, Robinson, H, Wagenpfeil, K, Pochapsky, T.C, Petsko, G.A, Ringe, D. | Deposit date: | 2016-02-19 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Metal-Dependent Function of a Mammalian Acireductone Dioxygenase. Biochemistry, 55, 2016
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7GCH
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![BU of 7gch by Molmil](/molmil-images/mine/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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6GCH
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![BU of 6gch by Molmil](/molmil-images/mine/6gch) | STRUCTURE OF CHYMOTRYPSIN-*TRIFLUOROMETHYL KETONE INHIBITOR COMPLEXES. COMPARISON OF SLOWLY AND RAPIDLY EQUILIBRATING INHIBITORS | Descriptor: | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE), GAMMA-CHYMOTRYPSIN A | Authors: | Brady, K, Wei, A, Ringe, D, Abeles, R.H. | Deposit date: | 1990-04-06 | Release date: | 1990-10-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of chymotrypsin-trifluoromethyl ketone inhibitor complexes: comparison of slowly and rapidly equilibrating inhibitors. Biochemistry, 29, 1990
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5GCH
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5I8S
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![BU of 5i8s by Molmil](/molmil-images/mine/5i8s) | Structure of Mouse Acireductone dioxygenase with Ni2+ ion and pentanoic acid in the active site | Descriptor: | 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, NICKEL (II) ION, PENTANOIC ACID | Authors: | Deshpande, A.R, Wagenpfeil, K, Pochapsky, T.C, Petsko, G.A, Ringe, D. | Deposit date: | 2016-02-19 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Metal-Dependent Function of a Mammalian Acireductone Dioxygenase. Biochemistry, 55, 2016
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6RHN
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![BU of 6rhn by Molmil](/molmil-images/mine/6rhn) | HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN (HINT) FROM RABBIT WITHOUT NUCLEOTIDE | Descriptor: | HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN | Authors: | Brenner, C, Garrison, P, Gilmour, J, Peisach, D, Ringe, D, Petsko, G.A, Lowenstein, J.M. | Deposit date: | 1997-02-27 | Release date: | 1997-06-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of HINT demonstrate that histidine triad proteins are GalT-related nucleotide-binding proteins. Nat.Struct.Biol., 4, 1997
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5DAA
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4RHN
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![BU of 4rhn by Molmil](/molmil-images/mine/4rhn) | HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN (HINT) FROM RABBIT COMPLEXED WITH ADENOSINE | Descriptor: | HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN, alpha-D-ribofuranose | Authors: | Brenner, C, Garrison, P, Gilmour, J, Peisach, D, Ringe, D, Petsko, G.A, Lowenstein, J.M. | Deposit date: | 1997-02-26 | Release date: | 1997-06-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of HINT demonstrate that histidine triad proteins are GalT-related nucleotide-binding proteins. Nat.Struct.Biol., 4, 1997
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