4JXI
 
 | | 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
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8E55
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5AYY
 | | CRYSTAL STRUCTURE OF HUMAN QUINOLINATE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH THE REACTANT QUINOLINATE | | Descriptor: | Nicotinate-nucleotide pyrophosphorylase [carboxylating], QUINOLINIC ACID | | Authors: | Youn, H.S, Kim, T.G, Kim, M.K, Kang, G.B, Kang, J.Y, Seo, Y.J, Lee, J.G, An, J.Y, Park, K.R, Lee, Y, Im, Y.J, Lee, J.H, Fukuoka, S.I, Eom, S.H. | | Deposit date: | 2015-09-14 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Structural Insights into the Quaternary Catalytic Mechanism of Hexameric Human Quinolinate Phosphoribosyltransferase, a Key Enzyme in de novo NAD Biosynthesis
Sci Rep, 6, 2016
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5AYX
 | | Crystal structure of Human Quinolinate Phosphoribosyltransferase | | Descriptor: | Nicotinate-nucleotide pyrophosphorylase [carboxylating] | | Authors: | Kang, G.B, Kim, M.-K, Im, Y.J, Lee, J.H, Youn, H.-S, An, J.Y, Lee, J.-G, Fukuoka, S.-I, Eom, S.H. | | Deposit date: | 2015-09-14 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Insights into the Quaternary Catalytic Mechanism of Hexameric Human Quinolinate Phosphoribosyltransferase, a Key Enzyme in de novo NAD Biosynthesis
Sci Rep, 6, 2016
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5AYZ
 | | CRYSTAL STRUCTURE OF HUMAN QUINOLINATE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH THE PRODUCT NICOTINATE MONONUCLEOTIDE | | Descriptor: | NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide pyrophosphorylase [carboxylating] | | Authors: | Youn, H.S, Kim, T.G, Kim, M.K, Kang, G.B, Kang, J.Y, Seo, Y.J, Lee, J.G, An, J.Y, Park, K.R, Lee, Y, Im, Y.J, Lee, J.H, Fukuoka, S.I, Eom, S.H. | | Deposit date: | 2015-09-14 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Insights into the Quaternary Catalytic Mechanism of Hexameric Human Quinolinate Phosphoribosyltransferase, a Key Enzyme in de novo NAD Biosynthesis
Sci Rep, 6, 2016
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1NB4
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1NB7
 | | HC-J4 RNA polymerase complexed with short RNA template strand | | Descriptor: | 5'-R(*UP*UP*UP*U)-3', MANGANESE (II) ION, polyprotein | | Authors: | O'Farrell, D.J, Trowbridge, R, Rowlands, D.J, Jaeger, J. | | Deposit date: | 2002-12-02 | | Release date: | 2003-03-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Substrate complexes of hepatitis C virus RNA polymerase (HC-J4): structural evidence for nucleotide import and de-novo initiation.
J.Mol.Biol., 326, 2003
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1NB6
 | | HC-J4 RNA polymerase complexed with UTP | | Descriptor: | MANGANESE (II) ION, URIDINE 5'-TRIPHOSPHATE, polyprotein | | Authors: | O'Farrell, D.J, Trowbridge, R, Rowlands, D.J, Jaeger, J. | | Deposit date: | 2002-12-02 | | Release date: | 2003-03-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Substrate complexes of hepatitis C virus RNA polymerase (HC-J4): structural evidence for nucleotide import and de-novo initiation.
J.Mol.Biol., 326, 2003
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7UHC
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8GSA
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2MBL
 | | Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33 | | Descriptor: | Top7 Fold Protein Top7m13 | | Authors: | Liu, G, Zanghellini, A.L, Chan, K, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-08-02 | | Release date: | 2013-11-13 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33
To be Published
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2MBM
 | | Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33 | | Descriptor: | Top7 Fold Protein Top7m13 | | Authors: | Liu, G, Zanghellini, A.L, Chan, K, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-08-02 | | Release date: | 2013-11-13 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33
To be Published
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8DQG
 | | Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to AMPPNP and acridone | | Descriptor: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | | Deposit date: | 2022-07-19 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity.
Acs Chem.Biol., 17, 2022
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8DQI
 | | Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to ATP and acridone after 2- weeks of crystal growth | | Descriptor: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | | Deposit date: | 2022-07-19 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity.
Acs Chem.Biol., 17, 2022
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8DQH
 | | Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to ATP and acridone after 24 hours of crystal growth | | Descriptor: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | | Deposit date: | 2022-07-19 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity.
Acs Chem.Biol., 17, 2022
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8DQJ
 | | Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (AST) bound to ATP and acridone | | Descriptor: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | | Deposit date: | 2022-07-19 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity.
Acs Chem.Biol., 17, 2022
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2PI5
 | | T7 RNA polymerase complexed with a phi10 promoter | | Descriptor: | 5'-D(*CP*TP*TP*C*CP*TP*AP*TP*AP*GP*TP*GP*AP*GP*TP*CP*GP*TP*AP*TP*TP*A)-3', 5'-D(*TP*AP*AP*TP*AP*CP*GP*AP*CP*TP*CP*AP*CP*T)-3', DNA-directed RNA polymerase | | Authors: | Kennedy, W.P, Momand, J.R, Yin, Y.W. | | Deposit date: | 2007-04-12 | | Release date: | 2007-06-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Mechanism for de novo RNA synthesis and initiating nucleotide specificity by t7 RNA polymerase.
J.Mol.Biol., 370, 2007
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3R4H
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7UHB
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2PI4
 | | T7RNAP complexed with a phi10 protein and initiating GTPs. | | Descriptor: | 3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*TP*CP*CP*TP*AP*TP*AP*GP*TP*GP*AP*GP*TP*CP*GP*TP*AP*TP*TP*A)-3', 5'-D(*TP*AP*AP*TP*AP*CP*GP*AP*CP*TP*CP*AP*CP*T)-3', ... | | Authors: | Kennedy, W.P, Momand, J.R, Yin, Y.W. | | Deposit date: | 2007-04-12 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism for de novo RNA synthesis and initiating nucleotide specificity by t7 RNA polymerase.
J.Mol.Biol., 370, 2007
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3R47
 | | Crystal structure of a 6-helix coiled coil CC-hex-H24 | | Descriptor: | BROMIDE ION, coiled coil helix L24H | | Authors: | Zaccai, N.R, Chi, B.H.C, Woolfson, D.N, Brady, R.L. | | Deposit date: | 2011-03-17 | | Release date: | 2011-11-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5002 Å) | | Cite: | A de novo peptide hexamer with a mutable channel.
Nat.Chem.Biol., 7, 2011
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3O6Y
 | | Robust computational design, optimization, and structural characterization of retroaldol enzymes | | Descriptor: | Retro-Aldolase, SULFATE ION | | Authors: | Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J.K, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | | Deposit date: | 2010-07-29 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.091 Å) | | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
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3NXF
 | | Robust computational design, optimization, and structural characterization of retroaldol enzymes | | Descriptor: | Retro-Aldolase, SULFATE ION | | Authors: | Althoff, E.A, Jiang, L, Wang, L, Lassila, J.K, Moody, J, Bolduc, J, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | | Deposit date: | 2010-07-13 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
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3R3K
 | | Crystal structure of a parallel 6-helix coiled coil | | Descriptor: | 1,2-ETHANEDIOL, CChex-Phi22 helix, CHLORIDE ION, ... | | Authors: | Zaccai, N.R, Chi, B.H.C, Woolfson, D.N, Brady, R.L. | | Deposit date: | 2011-03-16 | | Release date: | 2011-11-16 | | Last modified: | 2011-11-30 | | Method: | X-RAY DIFFRACTION (2.2009 Å) | | Cite: | A de novo peptide hexamer with a mutable channel.
Nat.Chem.Biol., 7, 2011
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3R46
 | | Crystal structure of a parallel 6-helix coiled coil CC-hex-D24 | | Descriptor: | CHLORIDE ION, GLYCEROL, SODIUM ION, ... | | Authors: | Zaccai, N.R, Chi, B.H.C, Woolfson, D.N, Brady, R.L. | | Deposit date: | 2011-03-17 | | Release date: | 2011-11-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | A de novo peptide hexamer with a mutable channel.
Nat.Chem.Biol., 7, 2011
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