1QYG
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![BU of 1qyg by Molmil](/molmil-images/mine/1qyg) | ANTI-COCAINE ANTIBODY M82G2 COMPLEXED WITH BENZOYLECGONINE | Descriptor: | 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, FAB M82G2, HEAVY CHAIN, ... | Authors: | Pozharski, E, Hewagama, A, Shanafelt, A, Petsko, G, Ringe, D. | Deposit date: | 2003-09-10 | Release date: | 2003-09-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Diversity in hapten recognition: structural study of an anti-cocaine antibody M82G2. J.Mol.Biol., 349, 2005
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2A5H
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![BU of 2a5h by Molmil](/molmil-images/mine/2a5h) | 2.1 Angstrom X-ray crystal structure of lysine-2,3-aminomutase from Clostridium subterminale SB4, with Michaelis analog (L-alpha-lysine external aldimine form of pyridoxal-5'-phosphate). | Descriptor: | IRON/SULFUR CLUSTER, L-lysine 2,3-aminomutase, LYSINE, ... | Authors: | Lepore, B.W, Ruzicka, F.J, Frey, P.A, Ringe, D. | Deposit date: | 2005-06-30 | Release date: | 2005-10-04 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The X-ray crystal structure of lysine-2,3-aminomutase from Clostridium subterminale. Proc.Natl.Acad.Sci.Usa, 102, 2005
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2QQ9
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![BU of 2qq9 by Molmil](/molmil-images/mine/2qq9) | Crystal Structure of DtxR(D6A C102D) Complexed with Nickel(II) | Descriptor: | Diphtheria toxin repressor, NICKEL (II) ION, PHOSPHATE ION | Authors: | D'Aquino, J.A, Lattimer, J.R, Denninger, A, D'Aquino, K.E, Ringe, D. | Deposit date: | 2007-07-26 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Role of the N-Terminal Helix in the Metal Ion-Induced Activation of the Diphtheria Toxin Repressor DtxR. Biochemistry, 46, 2007
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2A1W
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![BU of 2a1w by Molmil](/molmil-images/mine/2a1w) | Anti-cocaine antibody 7.5.21, crystal form I | Descriptor: | SULFATE ION, immunoglobulin heavy chain, immunoglobulin light chain kappa | Authors: | Pozharski, E, Hewagama, A, Shanafelt, A, Ringe, D, Petsko, G.A. | Deposit date: | 2005-06-21 | Release date: | 2005-06-28 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Flexibility Of Packing:
Four Crystal Forms Of An Anti-Cocaine Antibody 7.5.21 To be Published
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2QQA
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![BU of 2qqa by Molmil](/molmil-images/mine/2qqa) | Crystal Structure of DtxR(E9A C102D) Complexed with Nickel(II) | Descriptor: | Diphtheria toxin repressor, NICKEL (II) ION, PHOSPHATE ION | Authors: | D'Aquino, J.A, Lattimer, J.R, Denninger, A, D'Aquino, K.E, Ringe, D. | Deposit date: | 2007-07-26 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Role of the N-Terminal Helix in the Metal Ion-Induced Activation of the Diphtheria Toxin Repressor DtxR. Biochemistry, 46, 2007
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2QQB
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![BU of 2qqb by Molmil](/molmil-images/mine/2qqb) | Crystal Structure of DtxR(M10A C102D) Complexed with Nickel(II) | Descriptor: | Diphtheria toxin repressor, NICKEL (II) ION, PHOSPHATE ION | Authors: | D'Aquino, J.A, Lattimer, J.R, Denninger, A, D'Aquino, K.E, Ringe, D. | Deposit date: | 2007-07-26 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Role of the N-Terminal Helix in the Metal Ion-Induced Activation of the Diphtheria Toxin Repressor DtxR. Biochemistry, 46, 2007
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1SCD
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![BU of 1scd by Molmil](/molmil-images/mine/1scd) | |
1S5N
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![BU of 1s5n by Molmil](/molmil-images/mine/1s5n) | Xylose Isomerase in Substrate and Inhibitor Michaelis States: Atomic Resolution Studies of a Metal-Mediated Hydride Shift | Descriptor: | HYDROXIDE ION, MANGANESE (II) ION, SODIUM ION, ... | Authors: | Fenn, T.D, Ringe, D, Petsko, G.A. | Deposit date: | 2004-01-21 | Release date: | 2004-02-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Xylose isomerase in substrate and inhibitor michaelis States: atomic resolution studies of a metal-mediated hydride shift(,). Biochemistry, 43, 2004
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1S5M
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![BU of 1s5m by Molmil](/molmil-images/mine/1s5m) | Xylose Isomerase in Substrate and Inhibitor Michaelis States: Atomic Resolution Studies of a Metal-Mediated Hydride Shift | Descriptor: | MANGANESE (II) ION, SODIUM ION, Xylose isomerase, ... | Authors: | Fenn, T.D, Ringe, D, Petsko, G.A. | Deposit date: | 2004-01-21 | Release date: | 2004-02-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Xylose isomerase in substrate and inhibitor michaelis States: atomic resolution studies of a metal-mediated hydride shift(,). Biochemistry, 43, 2004
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3F6E
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![BU of 3f6e by Molmil](/molmil-images/mine/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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3FSJ
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![BU of 3fsj by Molmil](/molmil-images/mine/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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3F6B
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![BU of 3f6b by Molmil](/molmil-images/mine/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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3GLX
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![BU of 3glx by Molmil](/molmil-images/mine/3glx) | Crystal Structure Analysis of the DtxR(E175K) complexed with Ni(II) | Descriptor: | Diphtheria toxin repressor, NICKEL (II) ION, PHOSPHATE ION | Authors: | D'Aquino, J.A, Denninger, A, Moulin, A, D'Aquino, K.E, Ringe, D. | Deposit date: | 2009-03-12 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Decreased sensitivity to changes in the concentration of metal ions as the basis for the hyperactivity of DtxR(E175K). J.Mol.Biol., 390, 2009
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1SCN
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![BU of 1scn by Molmil](/molmil-images/mine/1scn) | INACTIVATION OF SUBTILISIN CARLSBERG BY N-(TERT-BUTOXYCARBONYL-ALANYL-PROLYL-PHENYLALANYL)-O-BENZOL HYDROXYLAMINE: FORMATION OF COVALENT ENZYME-INHIBITOR LINKAGE IN THE FORM OF A CARBAMATE DERIVATIVE | Descriptor: | CALCIUM ION, N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(carboxyamino)-2-phenylethyl]-L-prolinamide, SODIUM ION, ... | Authors: | Steinmetz, A.C.U, Demuth, H.-U, Ringe, D. | Deposit date: | 1994-03-02 | Release date: | 1994-08-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inactivation of subtilisin Carlsberg by N-((tert-butoxycarbonyl)alanylprolylphenylalanyl)-O-benzolhydroxyl- amine: formation of a covalent enzyme-inhibitor linkage in the form of a carbamate derivative. Biochemistry, 33, 1994
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3TGK
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![BU of 3tgk by Molmil](/molmil-images/mine/3tgk) | TRYPSINOGEN MUTANT D194N AND DELETION OF ILE 16-VAL 17 COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) | Descriptor: | CALCIUM ION, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION, ... | Authors: | Pasternak, A, White, A, Jeffery, C.J, Medina, N, Cahoon, M, Ringe, D, Hedstrom, L. | Deposit date: | 1998-07-19 | Release date: | 2001-07-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 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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3QZ9
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![BU of 3qz9 by Molmil](/molmil-images/mine/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
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![BU of 3qyg by Molmil](/molmil-images/mine/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
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![BU of 3qz5 by Molmil](/molmil-images/mine/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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3TGI
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![BU of 3tgi by Molmil](/molmil-images/mine/3tgi) | WILD-TYPE RAT ANIONIC TRYPSIN 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: | 1998-07-15 | Release date: | 1998-12-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 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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3TGJ
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![BU of 3tgj by Molmil](/molmil-images/mine/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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3SED
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![BU of 3sed by Molmil](/molmil-images/mine/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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3QXE
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![BU of 3qxe by Molmil](/molmil-images/mine/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
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![BU of 3qyh by Molmil](/molmil-images/mine/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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1R64
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![BU of 1r64 by Molmil](/molmil-images/mine/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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1RE5
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![BU of 1re5 by Molmil](/molmil-images/mine/1re5) | Crystal structure of 3-carboxy-cis,cis-muconate lactonizing enzyme from Pseudomonas putida | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-carboxy-cis,cis-muconate cycloisomerase, CITRIC ACID | Authors: | Yang, J, Wang, Y, Woolridge, E.M, Petsko, G.A, Kozarich, J.W, Ringe, D. | Deposit date: | 2003-11-06 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of 3-Carboxy-cis,cis-muconate Lactonizing Enzyme from Pseudomonas putida, a Fumarase Class II Type Cycloisomerase: Enzyme Evolution in Parallel Pathways. Biochemistry, 43, 2004
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