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4ZN8
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BU of 4zn8 by Molmil
Using molecular dynamics simulations to predict domain swapping of computationally designed protein variants
Descriptor: POTASSIUM ION, computationally modified engrailed homeodomain
Authors:Huang, P.-S, Thomas, L.M, Mayo, S.L.
Deposit date:2015-05-04
Release date:2015-05-27
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Using Molecular Dynamics Simulations as an Aid in the Prediction of Domain Swapping of Computationally Designed Protein Variants.
J.Mol.Biol., 427, 2015
6DEJ
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BU of 6dej by Molmil
The structure of HcRed7, a brighter and red-shifted HcRed variant
Descriptor: CHLORIDE ION, DODECAETHYLENE GLYCOL, GFP-like non-fluorescent chromoprotein, ...
Authors:Wannier, T.M, Mayo, S.L.
Deposit date:2018-05-12
Release date:2018-05-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6279 Å)
Cite:Monomerization of far-red fluorescent proteins.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3O2L
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BU of 3o2l by Molmil
Crystal Structure of an Inactive Kemp Elimination Design HG-1
Descriptor: Endo-1,4-beta-xylanase
Authors:Thomas, L.M, Privett, H.K, Mayo, S.L.
Deposit date:2010-07-22
Release date:2011-07-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Iterative approach to computational enzyme design.
Proc.Natl.Acad.Sci.USA, 109, 2012
3NYZ
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BU of 3nyz by Molmil
Crystal Structure of Kemp Elimination Catalyst 1A53-2
Descriptor: Indole-3-glycerol phosphate synthase, SULFATE ION
Authors:Lee, T.M, Privett, H.K, Kaiser, J.T, Mayo, S.L.
Deposit date:2010-07-15
Release date:2011-06-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.514 Å)
Cite:Iterative approach to computational enzyme design.
Proc.Natl.Acad.Sci.USA, 109, 2012
3NYD
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BU of 3nyd by Molmil
Crystal Structure of Kemp Eliminase HG-2 Complexed with Transition State Analog 5-Nitro Benzotriazole
Descriptor: 5-nitro-1H-benzotriazole, ACETATE ION, Endo-1,4-beta-xylanase, ...
Authors:Lee, T.M, Privett, H.K, Kaiser, J.T, Mayo, S.L.
Deposit date:2010-07-14
Release date:2011-06-29
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Iterative approach to computational enzyme design.
Proc.Natl.Acad.Sci.USA, 109, 2012
1P6Y
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BU of 1p6y by Molmil
T4 LYSOZYME CORE REPACKING MUTANT M120Y/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-30
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
1P64
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BU of 1p64 by Molmil
T4 LYSOZYME CORE REPACKING MUTANT L133F/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-28
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1P37
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BU of 1p37 by Molmil
T4 LYSOZYME CORE REPACKING BACK-REVERTANT L102M/CORE10
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-16
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1P3N
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BU of 1p3n by Molmil
CORE REDESIGN BACK-REVERTANT I103V/CORE10
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-17
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1P2L
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BU of 1p2l by Molmil
T4 Lysozyme Core Repacking Mutant V87I/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-15
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1P2R
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BU of 1p2r by Molmil
T4 LYSOZYME CORE REPACKING MUTANT I78V/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-15
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1P46
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BU of 1p46 by Molmil
T4 lysozyme core repacking mutant M106I/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-21
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1P7S
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BU of 1p7s by Molmil
T4 LYSOZYME CORE REPACKING MUTANT V103I/TA
Descriptor: LYSOZYME
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-05-05
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
1P36
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BU of 1p36 by Molmil
T4 LYOSZYME CORE REPACKING MUTANT I100V/TA
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-16
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1PQJ
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BU of 1pqj by Molmil
T4 LYSOZYME CORE REPACKING MUTANT A111V/CORE10/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Lysozyme, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-06-18
Release date:2003-10-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:REPACKING THE CORE OF T4 LYSOZYME BY AUTOMATED DESIGN
J.Mol.Biol., 332, 2003
1PQM
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BU of 1pqm by Molmil
T4 Lysozyme Core Repacking Mutant V149I/T152V/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Lysozyme, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-06-18
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
1PQI
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BU of 1pqi by Molmil
T4 LYSOZYME CORE REPACKING MUTANT I118L/CORE7/TA
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-06-18
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
1PQO
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BU of 1pqo by Molmil
T4 Lysozyme Core Repacking Mutant L118I/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Lysozyme, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-06-18
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1PQD
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BU of 1pqd by Molmil
T4 LYSOZYME CORE REPACKING MUTANT CORE10/TA
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-06-18
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
1PQK
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BU of 1pqk by Molmil
Repacking of the Core of T4 Lysozyme by Automated Design
Descriptor: Lysozyme
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-06-18
Release date:2003-10-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
4BS0
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BU of 4bs0 by Molmil
Crystal Structure of Kemp Eliminase HG3.17 E47N,N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, KEMP ELIMINASE HG3.17, SULFATE ION
Authors:Blomberg, R, Kries, H, Pinkas, D.M, Mittl, P.R.E, Gruetter, M.G, Privett, H.K, Mayo, S, Hilvert, D.
Deposit date:2013-06-06
Release date:2013-10-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Precision is Essential for Efficient Catalysis in an Evolved Kemp Eliminase
Nature, 503, 2013
4H3L
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BU of 4h3l by Molmil
mPlum-E16P
Descriptor: Fluorescent protein plum, SODIUM ION
Authors:Moore, M.M, Chica, R.A.
Deposit date:2012-09-14
Release date:2012-10-31
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Recovery of Red Fluorescent Protein Chromophore Maturation Deficiency through Rational Design.
Plos One, 7, 2012
4EP2
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BU of 4ep2 by Molmil
Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate RT-RH
Descriptor: GLYCEROL, PHOSPHATE ION, protease, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-04-16
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
4EPJ
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BU of 4epj by Molmil
Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate p2-NC
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-04-17
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
4EQJ
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BU of 4eqj by Molmil
Crystal Structure of inactive single chain variant of HIV-1 Protease in Complex with the substrate RT-RH
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, protease, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-04-19
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012

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