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3U1O
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BU of 3u1o by Molmil
THREE DIMENSIONAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH19, Northeast Structural Genomics Consortium Target OR49
Descriptor: De Novo design cysteine esterase ECH19, SODIUM ION, SULFATE ION
Authors:Kuzin, A, Su, M, Lew, S, Forouhar, F, Seetharaman, J, Daya, P, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-30
Release date:2011-10-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3U13
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BU of 3u13 by Molmil
Crystal Structure of de Novo design of cystein esterase ECH13 at the resolution 1.6A, Northeast Structural Genomics Consortium Target OR51
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Kohan, E, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-29
Release date:2011-11-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3UAK
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BU of 3uak by Molmil
Crystal Structure of De Novo designed cysteine esterase ECH14, Northeast Structural Genomics Consortium Target OR54
Descriptor: De Novo designed cysteine esterase ECH14
Authors:Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-10-21
Release date:2011-12-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.232 Å)
Cite:Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3U1V
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BU of 3u1v by Molmil
X-ray Structure of De Novo design cysteine esterase FR29, Northeast Structural Genomics Consortium Target OR52
Descriptor: De Novo design cysteine esterase FR29
Authors:Kuzin, A, Su, M, Vorobiev, S.M, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-30
Release date:2011-12-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
4E88
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BU of 4e88 by Molmil
CRYSTAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH13, Northeast Structural Genomics Consortium Target OR51
Descriptor: DE NOVO DESIGNED CYSTEINE ESTERASE ECH13, GLYCEROL
Authors:Kuzin, A, Su, M, Seetharaman, J, Xiao, X, Sahdev, S, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-03-19
Release date:2012-04-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Northeast Structural Genomics Consortium Target OR51
To be Published
5L7P
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BU of 5l7p by Molmil
In silico-powered specific incorporation of photocaged Dopa at multiple protein sites
Descriptor: (2~{S})-2-azanyl-3-[3-[(2-nitrophenyl)methoxy]-4-oxidanyl-phenyl]propanoic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Hauf, M, Richter, F, Schneider, T, Martins, B.M, Baumann, T, Durkin, P, Dobbek, H, Moeglich, A, Budisa, N.
Deposit date:2016-06-03
Release date:2017-09-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Photoactivatable Mussel-Based Underwater Adhesive Proteins by an Expanded Genetic Code.
Chembiochem, 18, 2017
4JXI
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BU of 4jxi by Molmil
Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, BROMIDE ION, GLYCEROL, ...
Authors:Kuzin, A, Smith, M.D, Richter, F, Lew, S, Seetharaman, R, Bryan, C, Lech, Z, Kiss, G, Moretti, R, Maglaqui, M, Xiao, R, Kohan, E, Smith, M, Everett, J.K, Nguyen, R, Pande, V, Hilvert, D, Kornhaber, G, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-03-28
Release date:2013-05-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184
To be Published
3U19
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BU of 3u19 by Molmil
CRYSTAL STRUCTURE OF ACYLENZYME INTERMEDIATE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH13, Northeast Structural Genomics Consortium Target OR51
Descriptor: GLYCEROL, artificial protein OR51
Authors:Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Kohan, E, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-29
Release date:2011-10-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:CRYSTAL STRUCTURE OF ACYLENZYME INTERMEDIATE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH13, Northeast Structural Genomics Consortium Target OR51
To be Published
4TVW
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BU of 4tvw by Molmil
Resorufin ligase with bound resorufin-AMP analog
Descriptor: 5'-O-{[5-(7-hydroxy-3-oxo-3H-phenoxazin-2-yl)pentanoyl]sulfamoyl}adenosine, Lipoate-protein ligase A
Authors:Goldman, P.J, Drennan, C.L.
Deposit date:2014-06-28
Release date:2014-10-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.505 Å)
Cite:Computational design of a red fluorophore ligase for site-specific protein labeling in living cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TVY
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BU of 4tvy by Molmil
Apo resorufin ligase
Descriptor: 5-(3,7-dihydroxy-10H-phenoxazin-2-yl)pentanamide, Lipoate-protein ligase A
Authors:Goldman, P.J, Drennan, C.L.
Deposit date:2014-06-28
Release date:2014-10-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Computational design of a red fluorophore ligase for site-specific protein labeling in living cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
4DRT
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BU of 4drt by Molmil
Three dimensional structure of de novo designed serine hydrolase OSH26, Northeast Structural Genomics Consortium (NESG) target OR89
Descriptor: CHLORIDE ION, SODIUM ION, de novo designed serine hydrolase, ...
Authors:Kuzin, A, Su, M, Rajagopalan, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-02-17
Release date:2012-04-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
4ETK
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BU of 4etk by Molmil
Crystal Structure of E6A/L130D/A155H variant of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR186
Descriptor: De novo designed serine hydrolase, SODIUM ION
Authors:Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
4F2V
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BU of 4f2v by Molmil
Crystal Structure of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR165
Descriptor: DI(HYDROXYETHYL)ETHER, DODECYL-ALPHA-D-MALTOSIDE, De novo designed serine hydrolase
Authors:Kuzin, A, Lew, S, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-05-08
Release date:2012-05-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
4ESS
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BU of 4ess by Molmil
Crystal Structure of E6D/L155R variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR187
Descriptor: OR187
Authors:Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-04-23
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9971 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
4ETJ
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BU of 4etj by Molmil
Crystal Structure of E6H variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR185
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, ...
Authors:Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
7OBZ
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BU of 7obz by Molmil
Structure of RsLOV D109G
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, LOV protein, ...
Authors:Moeglich, A, Krafft, T.G.A, Weyand, M.
Deposit date:2021-04-25
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Light-Oxygen-Voltage Receptor Integrates Light and Temperature.
J.Mol.Biol., 433, 2021
7OB0
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BU of 7ob0 by Molmil
Structure of RsLOV d2 variant
Descriptor: ACETATE ION, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Moeglich, A, Krafft, T.G.A, Weyand, M.
Deposit date:2021-04-20
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Light-Oxygen-Voltage Receptor Integrates Light and Temperature.
J.Mol.Biol., 433, 2021
4JLL
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BU of 4jll by Molmil
Crystal Structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1 covalently bound with FP-alkyne, Northeast Structural Genomics Consortium (NESG) Target OR273
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-03-12
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
4JVV
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BU of 4jvv by Molmil
Crystal structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1, covalently bound with diisopropyl fluorophosphate (DFP), Northeast Structural Genomics Consortium (NESG) Target OR273
Descriptor: evolved variant of the computationally designed serine hydrolase
Authors:Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-03-26
Release date:2013-04-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
4JCA
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BU of 4jca by Molmil
Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (NESG) Target OR273
Descriptor: CITRIC ACID, RUBIDIUM ION, serine hydrolase
Authors:Kuzin, A.P, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-02-21
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.411 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
3V45
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BU of 3v45 by Molmil
Crystal Structure of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130
Descriptor: CHLORIDE ION, SODIUM ION, Serine hydrolase OSH55
Authors:Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-12-14
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
3TP4
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BU of 3tp4 by Molmil
Crystal Structure of engineered protein at the resolution 1.98A, Northeast Structural Genomics Consortium Target OR128
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Kuzin, A, Su, M, Seetharaman, J, Rajagopalan, S, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-07
Release date:2011-10-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014

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