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7K4W
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BU of 7k4w by Molmil
Crystal structure of Kemp Eliminase HG3.17 in the inactive state
分子名称: CALCIUM ION, Endo-1,4-beta-xylanase
著者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.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
4A2S
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BU of 4a2s by Molmil
Structure of the engineered retro-aldolase RA95.5
分子名称: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE
著者Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D.
登録日2011-09-28
公開日2012-11-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Evolution of a designed retro-aldolase leads to complete active site remodeling.
Nat.Chem.Biol., 9, 2013
7K4R
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BU of 7k4r by Molmil
Crystal structure of Kemp Eliminase HG3 K50Q
分子名称: Endo-1,4-beta-xylanase
著者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.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4T
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BU of 7k4t by Molmil
Crystal structure of Kemp Eliminase HG3.17
分子名称: Endo-1,4-beta-xylanase
著者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.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.999 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4P
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BU of 7k4p by Molmil
Crystal structure of Kemp Eliminase HG3
分子名称: Endo-1,4-beta-xylanase
著者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.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4S
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BU of 7k4s by Molmil
Crystal structure of Kemp Eliminase HG3.7
分子名称: Endo-1,4-beta-xylanase, SULFATE ION
著者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.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7BWW
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BU of 7bww by Molmil
Structure of the engineered metallo-Diels-Alderase DA7 W16S
分子名称: ACETIC ACID, BENZOIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Basler, S, Mori, T, Hilvert, D.
登録日2020-04-16
公開日2021-04-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold.
Nat.Chem., 13, 2021
3FWG
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BU of 3fwg by Molmil
Ferric camphor bound Cytochrome P450cam, Arg365Leu, Glu366Gln, monoclinic crystal form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ...
著者Schlichting, I, Von Koenig, K, Aldag, C, Hilvert, D.
登録日2009-01-18
公開日2009-03-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine.
Proc.Natl.Acad.Sci.USA, 106, 2009
3FWF
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BU of 3fwf by Molmil
Ferric camphor bound cytochrome P450cam containing a Selenocysteine as the 5th heme ligand, monoclinic crystal form
分子名称: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
著者Schlichting, I, Von Koenig, K, Aldag, C, Hilvert, D.
登録日2009-01-18
公開日2009-03-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine.
Proc.Natl.Acad.Sci.USA, 106, 2009
3FWJ
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BU of 3fwj by Molmil
Ferric camphor bound Cytochrome P450cam containing a selenocysteine as the 5th heme ligand, orthorombic crystal form
分子名称: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
著者Schlichting, I, von Koenig, K, Aldag, C, Hilvert, D.
登録日2009-01-18
公開日2009-03-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine.
Proc.Natl.Acad.Sci.USA, 106, 2009
3FWI
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BU of 3fwi by Molmil
Ferric camphor bound Cytochrome P450cam containing a selenocysteine as the 5th heme ligand, tetragonal crystal form
分子名称: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
著者Schlichting, I, von Koenig, K, Aldag, C, Hilvert, D.
登録日2009-01-18
公開日2009-03-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine.
Proc.Natl.Acad.Sci.USA, 106, 2009
5OD1
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BU of 5od1 by Molmil
Structure of the engineered metalloesterase MID1sc10 complexed with a phosphonate transition state analogue
分子名称: GLYCEROL, MID1sc10, ZINC ION, ...
著者Mittl, P.R.E, Studer, S, Hansen, D.A, Hilvert, D.
登録日2017-07-04
公開日2018-12-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Evolution of a highly active and enantiospecific metalloenzyme from short peptides.
Science, 362, 2018
5OD9
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BU of 5od9 by Molmil
Structure of the engineered metalloesterase MID1sc9
分子名称: (2~{S})-2-phenylpropanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Studer, S, Mittl, P.R.E, Hilvert, D.
登録日2017-07-05
公開日2018-12-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Evolution of a highly active and enantiospecific metalloenzyme from short peptides.
Science, 362, 2018
3B5L
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BU of 3b5l by Molmil
Crystal Structure of a Novel Engineered Retroaldolase: RA-61
分子名称: AMMONIUM ION, Endoxylanase, SULFATE ION
著者Stoddard, B.L, Doyle, L.A.
登録日2007-10-26
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De novo computational design of retro-aldol enzymes.
Science, 319, 2008
6WVS
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BU of 6wvs by Molmil
Hyperstable de novo TIM barrel variant DeNovoTIM15
分子名称: DeNovoTIM15 hyperstable de novo TIM barrel
著者Bick, M.J, Haydon, I.C, Caldwell, S.J, Zeymer, C, Huang, P, Fernandez-Velasco, D.A, Baker, D.
登録日2020-05-06
公開日2020-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献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
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BU of 3cfj by Molmil
Crystal structure of catalytic elimination antibody 34E4, orthorhombic crystal form
分子名称: CATALYTIC ANTIBODY FAB 34E4 HEAVY CHAIN fusion, CATALYTIC ANTIBODY FAB 34E4 LIGHT CHAIN fusion, GLYCEROL, ...
著者Debler, E.W, Wilson, I.A.
登録日2008-03-04
公開日2008-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Conformational isomerism can limit antibody catalysis.
J.Biol.Chem., 283, 2008
1Y18
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BU of 1y18 by Molmil
Fab fragment of catalytic elimination antibody 34E4 E(H50)D mutant in complex with hapten
分子名称: 2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-1-PENTANOIC ACID, CHLORIDE ION, Catalytic antibody 34E4 heavy chain, ...
著者Debler, E.W, Ito, S, Heine, A, Wilson, I.A.
登録日2004-11-17
公開日2005-04-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural origins of efficient proton abstraction from carbon by a catalytic antibody
Proc.Natl.Acad.Sci.USA, 102, 2005
1Y0L
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BU of 1y0l by Molmil
Catalytic elimination antibody 34E4 in complex with hapten
分子名称: 2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-1-PENTANOIC ACID, CHLORIDE ION, Catalytic Antibody Fab 34E4 Heavy chain, ...
著者Debler, E.W, Ito, S, Heine, A, Wilson, I.A.
登録日2004-11-15
公開日2005-04-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural origins of efficient proton abstraction from carbon by a catalytic antibody
Proc.Natl.Acad.Sci.USA, 102, 2005
1C1E
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BU of 1c1e by Molmil
CRYSTAL STRUCTURE OF A DIELS-ALDERASE CATALYTIC ANTIBODY 1E9 IN COMPLEX WITH ITS HAPTEN
分子名称: 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), ...
著者Xu, J, Wilson, I.A.
登録日1999-07-22
公開日2000-03-01
最終更新日2013-01-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Evolution of shape complementarity and catalytic efficiency from a primordial antibody template.
Science, 286, 1999
1C5B
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BU of 1c5b by Molmil
DECARBOXYLASE CATALYTIC ANTIBODY 21D8 UNLIGANDED FORM
分子名称: CHIMERIC DECARBOXYLASE ANTIBODY 21D8
著者Hotta, K, Wilson, I.A.
登録日1999-11-08
公開日2000-10-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Catalysis of decarboxylation by a preorganized heterogeneous microenvironment: crystal structures of abzyme 21D8.
J.Mol.Biol., 302, 2000
1C5C
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BU of 1c5c by Molmil
DECARBOXYLASE CATALYTIC ANTIBODY 21D8-HAPTEN COMPLEX
分子名称: 2-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACID, CHIMERIC DECARBOXYLASE ANTIBODY 21D8, GLYCEROL
著者Hotta, K, Wilson, I.A.
登録日1999-11-09
公開日2000-10-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Catalysis of decarboxylation by a preorganized heterogeneous microenvironment: crystal structures of abzyme 21D8.
J.Mol.Biol., 302, 2000
3TC7
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BU of 3tc7 by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR62.
分子名称: ACETIC ACID, Indole-3-glycerol phosphate synthase, PHOSPHATE ION
著者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)
登録日2011-08-08
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploration of alternate catalytic mechanisms and optimization strategies for retroaldolase design.
J.Mol.Biol., 426, 2014
3TC6
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BU of 3tc6 by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR63.
分子名称: DI(HYDROXYETHYL)ETHER, Indole-3-glycerol phosphate synthase, PHOSPHATE ION
著者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)
登録日2011-08-08
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Exploration of alternate catalytic mechanisms and optimization strategies for retroaldolase design.
J.Mol.Biol., 426, 2014
7LGM
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BU of 7lgm by Molmil
Cyanophycin synthetase from A. baylyi DSM587 with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase
著者Sharon, I, Haque, A.S, Lahiri, I, Leschziner, A, Schmeing, T.M.
登録日2021-01-20
公開日2021-08-18
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structures and function of the amino acid polymerase cyanophycin synthetase.
Nat.Chem.Biol., 17, 2021
7LG5
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BU of 7lg5 by Molmil
Synechocystis sp. UTEX2470 Cyanophycin synthetase 1 with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase, MAGNESIUM ION
著者Sharon, I, Schmeing, T.M.
登録日2021-01-19
公開日2021-08-18
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Structures and function of the amino acid polymerase cyanophycin synthetase.
Nat.Chem.Biol., 17, 2021

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