1SQ4
 
 | | Crystal Structure of the Putative Glyoxylate Induced Protein from Pseudomonas aeruginosa, Northeast Structural Genomics Target PaR14 | | Descriptor: | Glyoxylate-induced Protein, THIOCYANATE ION | | Authors: | Forouhar, F, Chen, Y, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-03-17 | | Release date: | 2004-04-06 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of the Putative Glyoxylate Induced Protein from Pseudomonas aeruginosa, Northeast Structural Genomics Target PaR14
To be Published
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1SQS
 | | X-Ray Crystal Structure Protein SP1951 of Streptococcus pneumoniae. Northeast Structural Genomics Consortium Target SpR27. | | Descriptor: | L(+)-TARTARIC ACID, conserved hypothetical protein | | Authors: | Forouhar, F, Lee, I, Vorobiev, S.M, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-03-19 | | Release date: | 2004-03-30 | | Last modified: | 2017-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM, 8, 2007
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1TWD
 | | Crystal Structure of the Putative Copper Homeostasis Protein (CutC) from Shigella flexneri, Northeast Structural Genomics Target SfR33 | | Descriptor: | Copper homeostasis protein cutC | | Authors: | Forouhar, F, Lee, I, Vorobiev, S.M, Ma, L.-C, Shastry, R, Conover, K, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-06-30 | | Release date: | 2004-07-20 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of the Putative Copper Homeostasis Protein (CutC) from Shigella flexneri, Northeast Structural Genomics Target SfR33
To be Published
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1TZ9
 | | Crystal Structure of the Putative Mannonate Dehydratase from Enterococcus faecalis, Northeast Structural Genomics Target EfR41 | | Descriptor: | Mannonate dehydratase | | Authors: | Forouhar, F, Chen, Y, Xiao, R, Cooper, B, Shastry, R, Acton, T.A, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-07-09 | | Release date: | 2004-07-20 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of the Putative Mannonate Dehydratase from Enterococcus faecalis, Northeast Structural Genomics Target EfR41
To be Published
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1S20
 | | A novel NAD binding protein revealed by the crystal structure of E. Coli 2,3-diketogulonate reductase (YiaK) NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER82 | | Descriptor: | Hypothetical oxidoreductase yiaK, L(+)-TARTARIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Forouhar, F, Lee, I, Benach, J, Kulkarni, K, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-01-07 | | Release date: | 2004-01-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Novel NAD-binding Protein Revealed by the Crystal Structure of 2,3-Diketo-L-gulonate Reductase (YiaK).
J.Biol.Chem., 279, 2004
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7L8Q
 | | Crystal structure of human GPX4-U46C with oxidized Cys-46 | | Descriptor: | ACETATE ION, Phospholipid hydroperoxide glutathione peroxidase | | Authors: | Forouhar, F, Liu, H, Seibt, T, Saneto, R, Wigby, K, Friedman, J, Xia, X, Shchepinov, M.S, Ramesh, S, Conrad, M, Stockwell, B.R. | | Deposit date: | 2020-12-31 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Patient-derived variant of GPX4 reveals the structural basis for its catalytic activity and degradation mechanism
Nat.Chem.Biol., 2021
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7L8R
 | | Crystal structure of human GPX4-U46C mutant K48A | | Descriptor: | Isoform Cytoplasmic of Phospholipid hydroperoxide glutathione peroxidase, THIOCYANATE ION | | Authors: | Forouhar, F, Liu, H, Seibt, T, Saneto, R, Wigby, K, Friedman, J, Xia, X, Shchepinov, M.S, Ramesh, S, Conrad, M, Stockwell, B.R. | | Deposit date: | 2020-12-31 | | Release date: | 2021-12-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Patient-derived variant of GPX4 reveals the structural basis for its catalytic activity and degradation mechanism
Nat.Chem.Biol., 2021
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7L8L
 | | Crystal structure of human R152H GPX4-U46C | | Descriptor: | Phospholipid hydroperoxide glutathione peroxidase, THIOCYANATE ION | | Authors: | Forouhar, F, Liu, H, Seibt, T, Saneto, R, Wigby, K, Friedman, J, Xia, X, Shchepinov, M.S, Ramesh, S, Conrad, M, Stockwell, B.R. | | Deposit date: | 2020-12-31 | | Release date: | 2021-12-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Patient-derived variant of GPX4 reveals the structural basis for its catalytic activity and degradation mechanism
Nat.Chem.Biol., 2021
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7L8M
 | | Crystal structure of human GPX4-U46C mutant K48L | | Descriptor: | Phospholipid hydroperoxide glutathione peroxidase | | Authors: | Forouhar, F, Liu, H, Seibt, T, Saneto, R, Friedman, J, Xia, X, Shchepinov, M.S, Ramesh, S, Conrad, M, Stockwell, B.R. | | Deposit date: | 2020-12-31 | | Release date: | 2021-12-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Patient-derived variant of GPX4 reveals the structural basis for its catalytic activity and degradation mechanism
Nat.Chem.Biol., 2021
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3RJZ
 | | X-ray crystal structure of the putative n-type atp pyrophosphatase from pyrococcus furiosus, the northeast structural genomics target pfr23 | | Descriptor: | N-type ATP pyrophosphatase superfamily | | Authors: | Forouhar, F, Lee, I, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-04-16 | | Release date: | 2011-05-11 | | Last modified: | 2012-01-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A large conformational change in the putative ATP pyrophosphatase PF0828 induced by ATP binding.
Acta Crystallogr.,Sect.F, 67, 2011
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1RTY
 | | Crystal Structure of Bacillus subtilis YvqK, a putative ATP-binding Cobalamin Adenosyltransferase, The North East Structural Genomics Target SR128 | | Descriptor: | PHOSPHATE ION, yvqk protein | | Authors: | Forouhar, F, Lee, I, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-12-10 | | Release date: | 2003-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007
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2GSW
 | | Crystal Structure of the Putative NADPH-dependent Azobenzene FMN-Reductase YhdA from Bacillus subtilis, Northeast Structural Genomics Target SR135 | | Descriptor: | FLAVIN MONONUCLEOTIDE, yhdA | | Authors: | Forouhar, F, Hussain, M, Jayaraman, S, Shen, J, Cooper, B, Cunningham, K, Janjua, H, Ma, L.-C, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-04-26 | | Release date: | 2006-05-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Crystal Structure of the Putative NADPH-dependent Azobenzene FMN-Reductase YhdA from Bacillus subtilis, Northeast Structural Genomics Target SR135
To be Published
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2GWG
 | | Crystal Structure of 4-Oxalomesaconate Hydratase, LigJ, from Rhodopseudomonas palustris, Northeast Structural Genomics Target RpR66. | | Descriptor: | 4-oxalomesaconate hydratase, ZINC ION | | Authors: | Forouhar, F, Abashidze, M, Jayaraman, S, Cunningham, K, Ciao, M, Ma, L, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-05-04 | | Release date: | 2006-05-23 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of 4-Oxalomesaconate Hydratase, LigJ, from Rhodopseudomonas palustris, Northeast Structural Genomics Target RpR66
To be Published
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1TM0
 | | Crystal Structure of the putative proline racemase from Brucella melitensis, Northeast Structural Genomics Target LR31 | | Descriptor: | PROLINE RACEMASE | | Authors: | Forouhar, F, Chen, Y, Xiao, R, Ho, C.K, Ma, L.-C, Cooper, B, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-06-10 | | Release date: | 2004-06-29 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007
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1TIQ
 | | Crystal Structure of an Acetyltransferase (PaiA) in complex with CoA and DTT from Bacillus subtilis, Northeast Structural Genomics Target SR64. | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, COENZYME A, Protease synthase and sporulation negative regulatory protein PAI 1, ... | | Authors: | Forouhar, F, Lee, I, Shen, J, Vorobiev, S.M, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-06-02 | | Release date: | 2004-07-13 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional evidence for Bacillus subtilis PaiA as a novel N1-spermidine/spermine acetyltransferase.
J.Biol.Chem., 280, 2005
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2GXF
 | | X-Ray Crystal Structure of Protein YybH from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR506. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hypothetical protein yybH | | Authors: | Forouhar, F, Abashidze, M, Jayaraman, S, Cunningham, K, Fang, Y, Ma, L.-C, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-05-08 | | Release date: | 2006-05-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal Structure of the Hypothetical Protein YybH from Bacillus subtilis, Northeast Structural Genomics Target SR506
TO BE PUBLISHED
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1SPV
 | | Crystal Structure of the Putative Phosphatase of Escherichia coli, Northeast Structural Genomoics Target ER58 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, putative polyprotein/phosphatase | | Authors: | Forouhar, F, Lee, I, Vorobiev, S.M, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-03-17 | | Release date: | 2004-04-06 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Putative Phosphatase of Escherichia coli, Northeast Structural Genomoics Target ER58
To be Published
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1SQ1
 | | Crystal Structure of the Chorismate Synthase from Campylobacter jejuni, Northeast Structural Genomics Target BR19 | | Descriptor: | Chorismate synthase, SULFATE ION | | Authors: | Forouhar, F, Lee, I, Vorobiev, S.M, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-03-17 | | Release date: | 2004-04-06 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of the Chorismate Synthase from Campylobacter jejuni, Northeast Structural Genomics Target BR19
To be Published
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2HJ0
 | | Crystal Structure of the Putative Alfa Subunit of Citrate Lyase in Complex with Citrate from Streptococcus mutans, Northeast Structural Genomics Target SmR12 . | | Descriptor: | CITRIC ACID, Putative citrate lyase, alfa subunit | | Authors: | Forouhar, F, Hussain, M, Jayaraman, S, Shastry, R, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-06-29 | | Release date: | 2006-08-29 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of the Putative Alfa Subunit of Citrate Lyase in Complex with Citrate from Streptococcus mutans, Northeast Structural Genomics Target SmR12 (CASP Target).
To be Published
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7TIU
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB46 | | Descriptor: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION, ... | | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
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7TIV
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB48 | | Descriptor: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION | | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
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7U4K
 | | Crystal structure of human GPX4-U46C-R152H in complex with ML162 | | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-N-(3-chloro-4-methoxyphenyl)-N-[(1R)-2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl]acetamide, Phospholipid hydroperoxide glutathione peroxidase | | Authors: | Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Xia, X, Soni, R.K, Stockwell, B.R. | | Deposit date: | 2022-02-28 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
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7U4M
 | | Crystal structure of human GPX4-U46C in complex with LOC1886 | | Descriptor: | 1,2-ETHANEDIOL, 4-methoxy-1H-indole-2-carbaldehyde, Phospholipid hydroperoxide glutathione peroxidase | | Authors: | Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R. | | Deposit date: | 2022-02-28 | | Release date: | 2022-12-07 | | Last modified: | 2022-12-28 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
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7U4J
 | | Crystal structure of human GPX4-U46C-R152H in complex with TMT10 | | Descriptor: | Phospholipid hydroperoxide glutathione peroxidase, THIOCYANATE ION, ~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide | | Authors: | Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R. | | Deposit date: | 2022-02-28 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
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7TIW
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB54 | | Descriptor: | (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, PHOSPHATE ION | | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
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