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7K4Y
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BU of 7k4y by Molmil
Crystal structure of Kemp Eliminase HG3.17 at 343 K
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 (1.8 Å)
Cite:How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4X
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BU of 7k4x by Molmil
Crystal structure of Kemp Eliminase HG3.7 in complex with the transition state analog 6-nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, ACETATE 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 (1.6 Å)
Cite:How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4Q
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BU of 7k4q by Molmil
Crystal structure of Kemp Eliminase HG3 in complex with the transition state analog 6-nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, 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 (1.28 Å)
Cite:How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4V
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BU of 7k4v by Molmil
Crystal structure of Kemp Eliminase HG3.17
Descriptor: Endo-1,4-beta-xylanase, TETRAETHYLENE GLYCOL
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 (1.3 Å)
Cite:How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4Z
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BU of 7k4z by Molmil
Crystal structure of Kemp Eliminase HG3.17 in complex with the transition state analog 6-nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase, PENTAETHYLENE GLYCOL
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
7K4U
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BU of 7k4u by Molmil
Crystal structure of Kemp Eliminase HG3 K50Q in complex with the transition state analog 6-nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, 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 (1.3 Å)
Cite:How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4W
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BU of 7k4w by Molmil
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
7K4R
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BU of 7k4r by Molmil
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
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BU of 7k4t by Molmil
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
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BU of 7k4p by Molmil
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
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BU of 7k4s by Molmil
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
7LGQ
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BU of 7lgq by Molmil
Cyanophycin synthetase 1 from Synechocystis sp. UTEX2470 with ATP and 8x(Asp-Arg)-Asn
Descriptor: 8x(Asp-Arg)-Asn, ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase, ...
Authors:Sharon, I, Grogg, M, Hilvert, D, Schmeing, T.M.
Deposit date:2021-01-20
Release date:2021-08-18
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structures and function of the amino acid polymerase cyanophycin synthetase.
Nat.Chem.Biol., 17, 2021
7LGJ
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BU of 7lgj by Molmil
Cyanophycin synthetase 1 from Synechocystis sp. UTEX2470 with ADPCP and 8x(Asp-Arg)-NH2
Descriptor: 8x(Asp-Arg)-NH2, Cyanophycin synthase, MAGNESIUM ION, ...
Authors:Sharon, I, Grogg, M, Hilvert, D, Schmeing, T.M.
Deposit date:2021-01-20
Release date:2021-08-18
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures and function of the amino acid polymerase cyanophycin synthetase.
Nat.Chem.Biol., 17, 2021
1C1E
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BU of 1c1e by Molmil
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
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BU of 1c5b by Molmil
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
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BU of 1c5c by Molmil
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
6WVS
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BU of 6wvs by Molmil
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
3B5L
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BU of 3b5l by Molmil
Crystal Structure of a Novel Engineered Retroaldolase: RA-61
Descriptor: AMMONIUM ION, Endoxylanase, SULFATE ION
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2007-10-26
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De novo computational design of retro-aldol enzymes.
Science, 319, 2008
3HOJ
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BU of 3hoj by Molmil
Crystal Structure of a Novel Engineered Retroaldolase: RA-22
Descriptor: RETROALDOLASE-22
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2009-06-02
Release date:2009-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De Novo Computational Design of Retro-Aldol Enzymes
Science, 319, 2008
8FE1
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BU of 8fe1 by Molmil
Alpha1/BetaB Heteromeric Glycine Receptor in 1 mM Glycine 20 uM Ivermectin State
Descriptor: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gibbs, E, Chakrapani, S.
Deposit date:2022-12-05
Release date:2023-03-22
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 2024
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
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
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BU of 1y0l by Molmil
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
2O5Y
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BU of 2o5y by Molmil
Crystal structure of the 1E9 LeuH47Trp/ArgH100Trp Fab progesterone complex
Descriptor: PROGESTERONE, SULFATE ION, chimeric antibody Fab 1E9-DB3
Authors:Verdino, P, Wilson, I.A.
Deposit date:2006-12-06
Release date:2007-12-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Closely related antibody receptors exploit fundamentally different strategies for steroid recognition.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2O5X
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BU of 2o5x by Molmil
Crystal structure of 1E9 LeuH47Trp/ArgH100Trp, an engineered Diels-Alderase Fab with nM steroid-binding affinity
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, chimeric antibody Fab 1E9-DB3
Authors:Verdino, P, Wilson, I.A.
Deposit date:2006-12-06
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Closely related antibody receptors exploit fundamentally different strategies for steroid recognition.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3I1C
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BU of 3i1c by Molmil
Crystal Structure of a Novel Engineered Diels-Alderase: DA_20_00_A74I
Descriptor: Diisopropyl-fluorophosphatase, GLYCEROL
Authors:Lambert, A.R, Stoddard, B.L.
Deposit date:2009-06-26
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.
Science, 329, 2010

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