7K4W
| Crystal structure of Kemp Eliminase HG3.17 in the inactive state | Descriptor: | CALCIUM ION, Endo-1,4-beta-xylanase | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
|
|
4A2S
| Structure of the engineered retro-aldolase RA95.5 | Descriptor: | 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE | Authors: | Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D. | Deposit date: | 2011-09-28 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Evolution of a designed retro-aldolase leads to complete active site remodeling. Nat.Chem.Biol., 9, 2013
|
|
7K4R
| Crystal structure of Kemp Eliminase HG3 K50Q | Descriptor: | Endo-1,4-beta-xylanase | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
|
|
7K4T
| Crystal structure of Kemp Eliminase HG3.17 | Descriptor: | Endo-1,4-beta-xylanase | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.999 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
|
|
7K4P
| Crystal structure of Kemp Eliminase HG3 | Descriptor: | Endo-1,4-beta-xylanase | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
|
|
7K4S
| Crystal structure of Kemp Eliminase HG3.7 | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
|
|
7BWW
| Structure of the engineered metallo-Diels-Alderase DA7 W16S | Descriptor: | ACETIC ACID, BENZOIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Basler, S, Mori, T, Hilvert, D. | Deposit date: | 2020-04-16 | Release date: | 2021-04-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold. Nat.Chem., 13, 2021
|
|
3FWG
| Ferric camphor bound Cytochrome P450cam, Arg365Leu, Glu366Gln, monoclinic crystal form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ... | Authors: | Schlichting, I, Von Koenig, K, Aldag, C, Hilvert, D. | Deposit date: | 2009-01-18 | Release date: | 2009-03-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3FWF
| Ferric camphor bound cytochrome P450cam containing a Selenocysteine as the 5th heme ligand, monoclinic crystal form | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Schlichting, I, Von Koenig, K, Aldag, C, Hilvert, D. | Deposit date: | 2009-01-18 | Release date: | 2009-03-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3FWJ
| Ferric camphor bound Cytochrome P450cam containing a selenocysteine as the 5th heme ligand, orthorombic crystal form | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Schlichting, I, von Koenig, K, Aldag, C, Hilvert, D. | Deposit date: | 2009-01-18 | Release date: | 2009-03-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3FWI
| Ferric camphor bound Cytochrome P450cam containing a selenocysteine as the 5th heme ligand, tetragonal crystal form | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Schlichting, I, von Koenig, K, Aldag, C, Hilvert, D. | Deposit date: | 2009-01-18 | Release date: | 2009-03-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
5OD1
| Structure of the engineered metalloesterase MID1sc10 complexed with a phosphonate transition state analogue | Descriptor: | GLYCEROL, MID1sc10, ZINC ION, ... | Authors: | Mittl, P.R.E, Studer, S, Hansen, D.A, Hilvert, D. | Deposit date: | 2017-07-04 | Release date: | 2018-12-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Evolution of a highly active and enantiospecific metalloenzyme from short peptides. Science, 362, 2018
|
|
5OD9
| Structure of the engineered metalloesterase MID1sc9 | Descriptor: | (2~{S})-2-phenylpropanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Studer, S, Mittl, P.R.E, Hilvert, D. | Deposit date: | 2017-07-05 | Release date: | 2018-12-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Evolution of a highly active and enantiospecific metalloenzyme from short peptides. Science, 362, 2018
|
|
3B5L
| |
6WVS
| Hyperstable de novo TIM barrel variant DeNovoTIM15 | Descriptor: | DeNovoTIM15 hyperstable de novo TIM barrel | Authors: | Bick, M.J, Haydon, I.C, Caldwell, S.J, Zeymer, C, Huang, P, Fernandez-Velasco, D.A, Baker, D. | Deposit date: | 2020-05-06 | Release date: | 2020-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
3CFJ
| |
1Y18
| Fab fragment of catalytic elimination antibody 34E4 E(H50)D mutant in complex with hapten | Descriptor: | 2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-1-PENTANOIC ACID, CHLORIDE ION, Catalytic antibody 34E4 heavy chain, ... | Authors: | Debler, E.W, Ito, S, Heine, A, Wilson, I.A. | Deposit date: | 2004-11-17 | Release date: | 2005-04-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural origins of efficient proton abstraction from carbon by a catalytic antibody Proc.Natl.Acad.Sci.USA, 102, 2005
|
|
1Y0L
| Catalytic elimination antibody 34E4 in complex with hapten | Descriptor: | 2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-1-PENTANOIC ACID, CHLORIDE ION, Catalytic Antibody Fab 34E4 Heavy chain, ... | Authors: | Debler, E.W, Ito, S, Heine, A, Wilson, I.A. | Deposit date: | 2004-11-15 | Release date: | 2005-04-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural origins of efficient proton abstraction from carbon by a catalytic antibody Proc.Natl.Acad.Sci.USA, 102, 2005
|
|
1C1E
| CRYSTAL STRUCTURE OF A DIELS-ALDERASE CATALYTIC ANTIBODY 1E9 IN COMPLEX WITH ITS HAPTEN | Descriptor: | 1,7,8,9,10,10-HEXACHLORO-4-METHYL-4-AZA-TRICYCLO[5.2.1.0(2,6)]DEC-8-ENE-3,5-DIONE, CATALYTIC ANTIBODY 1E9 (HEAVY CHAIN), CATALYTIC ANTIBODY 1E9 (LIGHT CHAIN), ... | Authors: | Xu, J, Wilson, I.A. | Deposit date: | 1999-07-22 | Release date: | 2000-03-01 | Last modified: | 2013-01-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Evolution of shape complementarity and catalytic efficiency from a primordial antibody template. Science, 286, 1999
|
|
1C5B
| DECARBOXYLASE CATALYTIC ANTIBODY 21D8 UNLIGANDED FORM | Descriptor: | CHIMERIC DECARBOXYLASE ANTIBODY 21D8 | Authors: | Hotta, K, Wilson, I.A. | Deposit date: | 1999-11-08 | Release date: | 2000-10-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Catalysis of decarboxylation by a preorganized heterogeneous microenvironment: crystal structures of abzyme 21D8. J.Mol.Biol., 302, 2000
|
|
1C5C
| DECARBOXYLASE CATALYTIC ANTIBODY 21D8-HAPTEN COMPLEX | Descriptor: | 2-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACID, CHIMERIC DECARBOXYLASE ANTIBODY 21D8, GLYCEROL | Authors: | Hotta, K, Wilson, I.A. | Deposit date: | 1999-11-09 | Release date: | 2000-10-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Catalysis of decarboxylation by a preorganized heterogeneous microenvironment: crystal structures of abzyme 21D8. J.Mol.Biol., 302, 2000
|
|
3TC7
| Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR62. | Descriptor: | ACETIC ACID, Indole-3-glycerol phosphate synthase, PHOSPHATE ION | Authors: | Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-08-08 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Exploration of alternate catalytic mechanisms and optimization strategies for retroaldolase design. J.Mol.Biol., 426, 2014
|
|
3TC6
| Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR63. | Descriptor: | DI(HYDROXYETHYL)ETHER, Indole-3-glycerol phosphate synthase, PHOSPHATE ION | Authors: | Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-08-08 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Exploration of alternate catalytic mechanisms and optimization strategies for retroaldolase design. J.Mol.Biol., 426, 2014
|
|
7LGM
| Cyanophycin synthetase from A. baylyi DSM587 with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase | Authors: | Sharon, I, Haque, A.S, Lahiri, I, Leschziner, A, Schmeing, T.M. | Deposit date: | 2021-01-20 | Release date: | 2021-08-18 | Last modified: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structures and function of the amino acid polymerase cyanophycin synthetase. Nat.Chem.Biol., 17, 2021
|
|
7LG5
| |