1RAK
 
 | | Bacterial cytosine deaminase D314S mutant bound to 5-fluoro-4-(S)-hydroxyl-3,4-dihydropyrimidine. | | Descriptor: | (4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE, Cytosine deaminase, FE (III) ION, ... | | Authors: | Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E. | | Deposit date: | 2003-10-31 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy.
Protein Eng.Des.Sel., 17, 2004
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1R9X
 | | Bacterial cytosine deaminase D314G mutant. | | Descriptor: | Cytosine deaminase, FE (III) ION, GLYCEROL, ... | | Authors: | Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E. | | Deposit date: | 2003-10-31 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy.
Protein Eng.Des.Sel., 17, 2004
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1UJZ
 | | Crystal structure of the E7_C/Im7_C complex; a computationally designed interface between the colicin E7 DNase and the Im7 Immunity protein | | Descriptor: | Designed Colicin E7 DNase, Designed Colicin E7 immunity protein | | Authors: | Kortemme, T, Joachimiak, L.A, Bullock, A.N, Schuler, A.D, Stoddard, B.L, Baker, D. | | Deposit date: | 2003-08-13 | | Release date: | 2004-04-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Computational redesign of protein-protein interaction specificity
NAT.STRUCT.MOL.BIOL., 11, 2004
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1RRC
 | | T4 POLYNUCLEOTIDE KINASE BOUND TO 5'-GTC-3' SSDNA | | Descriptor: | 5'-D(*GP*TP*C)-3', ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Eastberg, J.H, Pelletier, J, Stoddard, B.L. | | Deposit date: | 2003-12-08 | | Release date: | 2004-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Recognition of DNA substrates by T4 bacteriophage polynucleotide kinase.
Nucleic Acids Res., 32, 2004
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1R9Z
 | | Bacterial cytosine deaminase D314S mutant. | | Descriptor: | Cytosine deaminase, FE (III) ION, GLYCEROL, ... | | Authors: | Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E. | | Deposit date: | 2003-10-31 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy.
Protein Eng.Des.Sel., 17, 2004
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1RA5
 | | Bacterial cytosine deaminase D314A mutant bound to 5-fluoro-4-(S)-hydroxyl-3,4-dihydropyrimidine. | | Descriptor: | (4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE, Cytosine deaminase, FE (III) ION, ... | | Authors: | Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E. | | Deposit date: | 2003-10-31 | | Release date: | 2004-10-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy.
Protein Eng.Des.Sel., 17, 2004
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1RPZ
 | | T4 POLYNUCLEOTIDE KINASE BOUND TO 5'-TGCAC-3' SSDNA | | Descriptor: | 5'-D(*TP*GP*CP*AP*C)-3', ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Eastberg, J.H, Pelletier, J, Stoddard, B.L. | | Deposit date: | 2003-12-03 | | Release date: | 2004-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Recognition of DNA substrates by T4 bacteriophage polynucleotide kinase.
Nucleic Acids Res., 32, 2004
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1T9I
 | | I-CreI(D20N)/DNA complex | | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*TP*GP*C)-3', 5'-D(*GP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*TP*CP*G)-3', CALCIUM ION, ... | | Authors: | Chevalier, B, Sussman, D, Otis, C, Boudreau, D, Turmel, M, Lemieux, C, Stephens, K, Monnat Jr, R.J, Stoddard, B.L. | | Deposit date: | 2004-05-17 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Metal-Dependent DNA Cleavage Mechanism of the I-CreI LAGLIDADG Homing Endonuclease.
Biochemistry, 43, 2004
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1T9J
 | | I-CreI(Q47E)/DNA complex | | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*TP*GP*C)-3', 5'-D(*GP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*TP*CP*G)-3', DNA endonuclease I-CreI | | Authors: | Chevalier, B, Sussman, D, Otis, C, Boudreau, D, Turmel, M, Lemieux, C, Stephens, K, Monnat Jr, R.J, Stoddard, B.L. | | Deposit date: | 2004-05-17 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Metal-Dependent DNA Cleavage Mechanism of the I-CreI LAGLIDADG Homing Endonuclease.
Biochemistry, 43, 2004
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1U0C
 | | Y33C Mutant of Homing endonuclease I-CreI | | Descriptor: | 5'-D(*CP*GP*TP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*AP*GP*C)-3', 5'-D(*GP*CP*TP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*AP*CP*G)-3', DNA endonuclease I-CreI, ... | | Authors: | Sussman, D, Chadsey, M, Fauce, S, Engel, A, Bruett, A, Monnat, R, Stoddard, B.L, Seligman, L.M. | | Deposit date: | 2004-07-13 | | Release date: | 2004-11-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Isolation and characterization of new homing endonuclease specificities at individual target site positions.
J.Mol.Biol., 342, 2004
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1AF5
 | | GROUP I MOBILE INTRON ENDONUCLEASE | | Descriptor: | I-CREI | | Authors: | Heath, P.J, Stephens, K.M, Monnat Junior, R.J, Stoddard, B.L. | | Deposit date: | 1997-03-21 | | Release date: | 1997-07-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The structure of I-Crel, a group I intron-encoded homing endonuclease.
Nat.Struct.Biol., 4, 1997
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1BP7
 | | GROUP I MOBILE INTRON ENDONUCLEASE I-CREI COMPLEXED WITH HOMING SITE DNA | | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*TP* GP*C)-3'), DNA (5'-D(*GP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*TP* CP*G)-3'), ... | | Authors: | Jurica, M.S, Monnat Junior, R.J, Stoddard, B.L. | | Deposit date: | 1998-08-13 | | Release date: | 1999-01-06 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | DNA recognition and cleavage by the LAGLIDADG homing endonuclease I-CreI.
Mol.Cell, 2, 1998
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1B0A
 | | 5,10, METHYLENE-TETRAHYDROPHOLATE DEHYDROGENASE/CYCLOHYDROLASE FROM E COLI. | | Descriptor: | PROTEIN (FOLD BIFUNCTIONAL PROTEIN) | | Authors: | Shen, B.W, Dyer, D, Huang, J.-Y, D'Ari, L, Rabinowitz, J, Stoddard, B.L. | | Deposit date: | 1998-11-06 | | Release date: | 1999-06-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | The crystal structure of a bacterial, bifunctional 5,10 methylene-tetrahydrofolate dehydrogenase/cyclohydrolase.
Protein Sci., 8, 1999
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1A3W
 | | PYRUVATE KINASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH FBP, PG, MN2+ AND K+ | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 2-PHOSPHOGLYCOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Jurica, M.S, Mesecar, A, Heath, P.J, Shi, W, Nowak, T, Stoddard, B.L. | | Deposit date: | 1998-01-26 | | Release date: | 1998-05-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The allosteric regulation of pyruvate kinase by fructose-1,6-bisphosphate.
Structure, 6, 1998
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1CYQ
 | | INTRON ENCODED HOMING ENDONUCLEASE I-PPOI (H98A)/DNA HOMING SITE COMPLEX | | Descriptor: | 5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3', INTRON-ENCODED HOMING ENDONUCLEASE I-PPOI, MAGNESIUM ION, ... | | Authors: | Galburt, E.A, Chevalier, B, Jurica, M.S, Flick, K.E, Stoddard, B.L. | | Deposit date: | 1999-08-31 | | Release date: | 1999-11-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | A novel endonuclease mechanism directly visualized for I-PpoI.
Nat.Struct.Biol., 6, 1999
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1D7P
 | | Crystal structure of the c2 domain of human factor viii at 1.5 a resolution at 1.5 A | | Descriptor: | COAGULATION FACTOR VIII PRECURSOR, CYSTEINE, GLYCEROL, ... | | Authors: | Pratt, K.P, Shen, B.W, Stoddard, B.L. | | Deposit date: | 1999-10-19 | | Release date: | 1999-12-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of the C2 domain of human factor VIII at 1.5 A resolution.
Nature, 402, 1999
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1A3X
 | | PYRUVATE KINASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH PG, MN2+ AND K+ | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, MANGANESE (II) ION, POTASSIUM ION, ... | | Authors: | Jurica, M.S, Mesecar, A, Heath, P.J, Shi, W, Nowak, T, Stoddard, B.L. | | Deposit date: | 1998-01-26 | | Release date: | 1998-05-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The allosteric regulation of pyruvate kinase by fructose-1,6-bisphosphate.
Structure, 6, 1998
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1DT0
 | | CLONING, SEQUENCE, AND CRYSTALLOGRAPHIC STRUCTURE OF RECOMBINANT IRON SUPEROXIDE DISMUTASE FROM PSEUDOMONAS OVALIS | | Descriptor: | FE (III) ION, SUPEROXIDE DISMUTASE | | Authors: | Bond, C.J, Huang, J, Hajduk, R, Flick, K, Heath, P, Stoddard, B.L. | | Deposit date: | 2000-01-10 | | Release date: | 2000-12-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cloning, sequence and crystallographic structure of recombinant iron superoxide dismutase from Pseudomonas ovalis.
Acta Crystallogr.,Sect.D, 56, 2000
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1CZ0
 | | INTRON ENCODED HOMING ENDONUCLEASE I-PPOI/DNA COMPLEX LACKING CATALYTIC METAL ION | | Descriptor: | DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), INTRON-ENCODED HOMING ENDONUCLEASE I-PPOI, SODIUM ION, ... | | Authors: | Galburt, E.A, Chevalier, B, Jurica, M.S, Flick, K.E, Stoddard, B.L. | | Deposit date: | 1999-08-31 | | Release date: | 1999-11-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A novel endonuclease mechanism directly visualized for I-PpoI.
Nat.Struct.Biol., 6, 1999
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1EVW
 | | L116A MUTANT OF THE HOMING ENDONUCLEASE I-PPOI COMPLEXED TO HOMING SITE DNA. | | Descriptor: | DNA (5'-D(*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*A)-3'), DNA (5'-D(*TP*GP*GP*CP*TP*AP*CP*CP*TP*TP*AP*A)-3'), DNA (5'-D(P*GP*AP*GP*AP*GP*TP*CP*A)-3'), ... | | Authors: | Galburt, E.A, Jurica, M.S, Chevalier, B.S, Erho, D, Stoddard, B.L. | | Deposit date: | 2000-04-20 | | Release date: | 2000-08-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Conformational changes and cleavage by the homing endonuclease I-PpoI: a critical role for a leucine residue in the active site.
J.Mol.Biol., 300, 2000
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3O6Y
 | | Robust computational design, optimization, and structural characterization of retroaldol enzymes | | Descriptor: | Retro-Aldolase, SULFATE ION | | Authors: | Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J.K, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | | Deposit date: | 2010-07-29 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.091 Å) | | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
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3NXF
 | | Robust computational design, optimization, and structural characterization of retroaldol enzymes | | Descriptor: | Retro-Aldolase, SULFATE ION | | Authors: | Althoff, E.A, Jiang, L, Wang, L, Lassila, J.K, Moody, J, Bolduc, J, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | | Deposit date: | 2010-07-13 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
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3UD6
 | | Structural analyses of covalent enzyme-substrate analogue complexes reveal strengths and limitations of de novo enzyme design | | Descriptor: | 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, RETRO-ALDOLASE, SULFATE ION | | Authors: | Baker, D, Stoddard, B.L, Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J, Hilvert, D. | | Deposit date: | 2011-10-27 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.091 Å) | | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
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5BVB
 | | Engineered Digoxigenin binder DIG5.1a | | Descriptor: | DIG5.1a, DIGOXIGENIN | | Authors: | Doyle, L.A, Stoddard, B.L. | | Deposit date: | 2015-06-04 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.
J.Chem.Inf.Model., 56, 2016
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8E0N
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