7TIA
 
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-14 | | Descriptor: | 3C-like proteinase nsp5, THIOCYANATE ION, benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | | 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: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.64 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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7TIX
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB56 | | Descriptor: | 3C-like proteinase nsp5, MAGNESIUM ION, N~2~-{[(naphthalen-2-yl)methoxy]carbonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | 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 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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7TJ0
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ACETATE 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, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.17 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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2QGS
 | | Crystal structure of SE1688 protein from Staphylococcus epidermidis. Northeast Structural Genomics Consortium target SeR89 | | Descriptor: | Protein SE1688, ZINC ION | | Authors: | Forouhar, F, Su, M, Benach, J, Seetharaman, J, Chen, C.X, Fang, Y, Cunningham, K, Owen, L, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-06-29 | | Release date: | 2007-07-17 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of SE1688 protein from Staphylococcus epidermidis.
To be Published
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2QGN
 | | Crystal structure of tRNA isopentenylpyrophosphate transferase (BH2366) from Bacillus halodurans, Northeast Structural Genomics Consortium target BhR41. | | Descriptor: | SULFATE ION, tRNA delta(2)-isopentenylpyrophosphate transferase | | Authors: | Forouhar, F, Neely, H, Abashidze, M, Seetharaman, J, Shastry, R, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-06-29 | | Release date: | 2007-07-17 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of tRNA isopentenylpyrophosphate transferase (BH2366) from Bacillus halodurans.
To be Published
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2R76
 | | Crystal structure of the rare lipoprotein B (SO_1173) from Shewanella oneidensis, Northeast Structural Genomics Consortium Target SoR91A | | Descriptor: | Rare lipoprotein B | | Authors: | Forouhar, F, Chen, Y, Seetharaman, J, Mao, L, Maglaqui, M, Owen, L.A, Cunningham, K, Fang, Y, Xiao, R, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-09-07 | | Release date: | 2007-09-25 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the rare lipoprotein B (SO_1173) from Shewanella oneidensis.
To be Published
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2R6Z
 | | Crystal structure of the SAM-dependent methyltransferase NGO1261 from Neisseria gonorrhoeae, Northeast Structural Genomics Consortium Target NgR48 | | Descriptor: | UPF0341 protein in rsp 3' region | | Authors: | Forouhar, F, Abashidze, M, Seetharaman, J, Mao, L, Nwosu, C, Fang, Y, Xiao, R, Baran, M.C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-09-06 | | Release date: | 2007-09-25 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the SAM-dependent methyltransferase NGO1261 from Neisseria gonorrhoeae.
To be Published
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3O3W
 | | Crystal Structure of BH2092 protein (residues 14-131) from Bacillus halodurans, Northeast Structural Genomics Consortium Target BhR228A | | Descriptor: | BH2092 protein | | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-07-26 | | Release date: | 2010-09-01 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Crystal Structure of BH2092 protein (residues 14-131) from Bacillus halodurans, Northeast Structural Genomics Consortium Target BhR228A
To be Published
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3NRW
 | | Crystal Structure of the N-terminal domain of Phage integrase/site-specific recombinase (tnp) from Haloarcula marismortui, Northeast Structural Genomics Consortium Target HmR208A | | Descriptor: | Phage integrase/site-specific recombinase | | Authors: | Forouhar, F, Su, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-06-30 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Northeast Structural Genomics Consortium Target HmR208A
To be Published
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5TI9
 | | Crystal structure of human TDO in complex with Trp and dioxygen, Northeast Structural Genomics Consortium Target HR6161 | | Descriptor: | N'-Formylkynurenine, OXYGEN MOLECULE, PHOSPHATE ION, ... | | Authors: | Forouhar, F, Lewis-Ballester, A, Lew, S, Karkashon, S, Seetharaman, J, Yeh, S.R, Tong, L. | | Deposit date: | 2016-10-01 | | Release date: | 2016-10-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular basis for catalysis and substrate-mediated cellular stabilization of human tryptophan 2,3-dioxygenase.
Sci Rep, 6, 2016
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5TIA
 | | Crystal structure of human TDO in complex with Trp, Northeast Structural Genomics Consortium Target HR6161 | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, Tryptophan 2,3-dioxygenase | | Authors: | Forouhar, F, Lewis-Ballester, A, Lew, S, Karkashon, S, Seetharaman, J, Yeh, S.R, Tong, L. | | Deposit date: | 2016-10-01 | | Release date: | 2016-10-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.441 Å) | | Cite: | Molecular basis for catalysis and substrate-mediated cellular stabilization of human tryptophan 2,3-dioxygenase.
Sci Rep, 6, 2016
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3PG5
 | | Crystal structure of protein DIP2308 from Corynebacterium diphtheriae, Northeast Structural Genomics Consortium Target CdR78 | | Descriptor: | Uncharacterized protein | | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Lee, D, Ciccosanti, C, Sahdev, S, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-10-30 | | Release date: | 2010-12-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of protein DIP2308 from Corynebacterium diphtheriae, Northeast Structural Genomics Consortium Target CdR78
To be Published
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3QFI
 | | X-ray crystal structure of transcriptional regulator (EF0465) from Enterococcus faecalis, Northeast Structural Genomics Consortium Target EfR190 | | Descriptor: | Transcriptional regulator | | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Wang, H, Ciccosanti, C, Mao, L, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Tong, L, Hun, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-01-21 | | Release date: | 2011-03-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | X-ray crystal structure of transcriptional regulator (EF0465) from Enterococcus faecalis, Northeast Structural Genomics Consortium Target EfR190
To be Published
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3Q64
 | | X-ray crystal structure of protein mll3774 from Mesorhizobium loti, Northeast Structural Genomics Consortium Target MlR405. | | Descriptor: | Mll3774 protein | | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Wang, D, Ciccosanti, C, Sahdev, S, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-12-30 | | Release date: | 2011-01-12 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | X-ray crystal structure of protein mll3774 from Mesorhizobium loti, Northeast Structural Genomics Consortium Target MlR405.
To be Published
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3RRU
 | | X-ray crystal structure of the VHS domain of human TOM1-like protein, Northeast Structural Genomics Consortium Target HR3050E | | Descriptor: | TOM1L1 protein | | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Wang, H, Ciccosanti, C, Patel, D, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-04-30 | | Release date: | 2011-06-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | X-ray crystal structure of the VHS domain of human TOM1-like protein, Northeast Structural Genomics Consortium Target HR3050E
To be Published
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3RK1
 | | 'X-ray crystal Structure of the putative N-type ATP pyrophosphatase (PF0828) in complex with ATP from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR23 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, N-type ATP pyrophosphatase superfamily, PHOSPHATE ION | | Authors: | Forouhar, F, Seetharaman, J, Janjua, J, Xiao, R, Cunningham, K, Ma, L, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-04-16 | | Release date: | 2011-05-11 | | Last modified: | 2024-10-16 | | 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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3RK0
 | | X-ray crystal Structure of the putative N-type ATP pyrophosphatase (PF0828) in complex with AMP from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR23 | | Descriptor: | ADENOSINE MONOPHOSPHATE, N-type ATP pyrophosphatase superfamily | | Authors: | Forouhar, F, Saadat, N, Hussain, M, Seetharaman, J, Janjua, J, Xiao, R, Cunningham, K, Ma, L, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-04-16 | | Release date: | 2011-05-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 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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3Q63
 | | X-ray crystal structure of protein MLL2253 from Mesorhizobium loti, Northeast Structural Genomics Consortium Target MlR404. | | Descriptor: | Mll2253 protein | | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Wang, D, Ciccosanti, C, Sahdev, S, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-12-30 | | Release date: | 2011-01-12 | | Last modified: | 2012-02-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray crystal structure of protein MLL2253 from Mesorhizobium loti, Northeast Structural Genomics Consortium Target MlR404.
To be Published
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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: | 2024-10-30 | | 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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6APJ
 | | Crystal Structure of human ST6GALNAC2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase 2 | | Authors: | Forouhar, F, Moremen, K.W, Northeast Structural Genomics Consortium (NESG), Tong, L. | | Deposit date: | 2017-08-17 | | Release date: | 2017-12-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Expression system for structural and functional studies of human glycosylation enzymes.
Nat. Chem. Biol., 14, 2018
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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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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: | 2024-10-16 | | 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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2BDE
 | | Crystal Structure of the cytosolic IMP-GMP specific 5'-nucleotidase (lpg0095) from Legionella pneumophila, Northeast Structural Genomics Target LgR1 | | Descriptor: | SULFATE ION, cytosolic IMP-GMP specific 5'-nucleotidase | | Authors: | Forouhar, F, Abashidze, M, Ho, C.K, Conover, K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-10-20 | | Release date: | 2005-12-06 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of the cytosolic IMP-GMP specific 5'-nucleotidase (lpg0095) from Legionella pneumophila, Northeast Structural Genomics Target LgR1
To be Published
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2BDV
 | | X-Ray Crystal Structure of Phage-related Protein BB2244 from Bordetella bronchiseptica. Northeast Structural Genomics Consortium Target BoR24. | | Descriptor: | phage-related conserved hypothetical protein, BB2244 | | Authors: | Forouhar, F, Abashidze, M, Benach, J, Jayaraman, S, Janjua, H, Cooper, B, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-10-20 | | Release date: | 2005-11-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the phage-related conserved hypothetical protein BB2244 from Bordetella bronchiseptica, Northeast Structural Genomics Target BoR24
To be Published
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2BDQ
 | | Crystal Structure of the Putative Copper Homeostasis Protein CutC from Streptococcus agalactiae, Northeast Strucural Genomics Target SaR15. | | Descriptor: | copper homeostasis protein CutC | | Authors: | Forouhar, F, Abashidze, M, Jayaraman, S, Ho, C.K, Cooper, B, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-10-20 | | Release date: | 2005-11-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of the Putative Copper Homeostasis Protein CutC from Streptococcus agalactiae, Northeast Strucural Genomics Target SaR15.
To be Published
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