1NY1
 
 | | CRYSTAL STRUCTURE OF B. SUBTILIS POLYSACCHARIDE DEACETYLASE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR127. | | Descriptor: | Probable polysaccharide deacetylase pdaA | | Authors: | Forouhar, F, Edstrom, W, Khan, J, Ma, L, Chiang, Y, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-02-11 | | Release date: | 2003-03-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Polysaccharide Deacetylase (PDAA_BACSU) from B. Subtilis (Pdaa_Bacsu) Northeast Structural Genomics Research Consortium (Nesg) Target Sr127
To be Published
|
|
1NXZ
 | | X-Ray Crystal Structure of Protein yggj_haein of Haemophilus influenzae. Northeast Structural Genomics Consortium Target IR73. | | Descriptor: | Hypothetical protein HI0303 | | Authors: | Forouhar, F, Shen, J, Xiao, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-02-11 | | Release date: | 2003-03-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional assignment based on structural analysis: crystal structure of the yggJ protein (HI0303) of Haemophilus influenzae reveals an RNA methyltransferase with a deep trefoil knot.
Proteins, 53, 2003
|
|
4KSA
 | | Crystal Structure of Malonyl-CoA decarboxylase from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR127 | | Descriptor: | MAGNESIUM ION, Malonyl-CoA decarboxylase | | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Sahdev, S, Xiao, R, Patel, D.J, Ciccosanti, C, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-05-17 | | Release date: | 2013-06-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of malonyl-coenzyme a decarboxylase provide insights into its catalytic mechanism and disease-causing mutations.
Structure, 21, 2013
|
|
4J9T
 | | Crystal structure of a putative, de novo designed unnatural amino acid dependent metalloprotein, northeast structural genomics consortium target OR61 | | Descriptor: | ARSENIC, GLYCEROL, designed unnatural amino acid dependent metalloprotein | | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Mills, J.H, Khare, S.D, Everett, J.K, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-02-17 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy.
J.Am.Chem.Soc., 135, 2013
|
|
4KSF
 | | Crystal Structure of Malonyl-CoA decarboxylase from Agrobacterium vitis, Northeast Structural Genomics Consortium Target RiR35 | | Descriptor: | CHLORIDE ION, Malonyl-CoA decarboxylase, NICKEL (II) ION | | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-05-17 | | Release date: | 2013-06-19 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structures of malonyl-coenzyme a decarboxylase provide insights into its catalytic mechanism and disease-causing mutations.
Structure, 21, 2013
|
|
4KS9
 | | Crystal Structure of Malonyl-CoA decarboxylase (Rmet_2797) from Cupriavidus metallidurans, Northeast Structural Genomics Consortium Target CrR76 | | Descriptor: | MAGNESIUM ION, Malonyl-CoA decarboxylase | | Authors: | Forouhar, F, Tran, T.H, Lew, S, Seetharaman, J, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-05-17 | | Release date: | 2013-06-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of malonyl-coenzyme a decarboxylase provide insights into its catalytic mechanism and disease-causing mutations.
Structure, 21, 2013
|
|
4JC0
 | | Crystal structure of Thermotoga maritima holo RimO in complex with pentasulfide, Northeast Structural Genomics Consortium Target VR77 | | Descriptor: | IRON/SULFUR PENTA-SULFIDE CONNECTED CLUSTERS, Ribosomal protein S12 methylthiotransferase RimO | | Authors: | Forouhar, F, Hussain, M, Seetharaman, J, Fang, Y, Chen, C.X, Cunningham, K, Conover, K, Ma, L.-C, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-02-20 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Two Fe-S clusters catalyze sulfur insertion by radical-SAM methylthiotransferases.
Nat.Chem.Biol., 9, 2013
|
|
3BID
 | | Crystal structure of the NMB1088 protein from Neisseria meningitidis. Northeast Structural Genomics Consortium target MR91 | | Descriptor: | UPF0339 protein NMB1088 | | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Mao, L, Fang, Y, Xiao, R, Owen, L.A, Maglaqui, M, Cunningham, K, Baran, M.C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-11-30 | | Release date: | 2007-12-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the NMB1088 protein from Neisseria meningitidis.
To be Published
|
|
3BIJ
 | | Crystal structure of protein GSU0716 from Geobacter sulfurreducens. Northeast Structural Genomics target GsR13 | | Descriptor: | Uncharacterized protein GSU0716 | | Authors: | Forouhar, F, Neely, H, Su, M, Seetharaman, J, Benach, J, Conover, K, Fang, Y, Xiao, R, Owen, L.A, Maglaqui, M, Cunningham, K, Baran, M.C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-11-30 | | Release date: | 2007-12-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of protein GSU0716 from Geobacter sulfurreducens.
To be Published
|
|
2QGV
 | | Crystal structure of hydrogenase-1 operon protein hyaE from Shigella flexneri. Northeast Structural Genomics Consortium Target SfR170 | | Descriptor: | Hydrogenase-1 operon protein hyaE | | Authors: | Forouhar, F, Su, M, Seetharaman, J, Benach, J, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-06-29 | | Release date: | 2007-07-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of hydrogenase-1 operon protein hyaE from Shigella flexneri.
To be Published
|
|
2RAQ
 | | Crystal structure of the MTH889 protein from Methanothermobacter thermautotrophicus. Northeast Structural Genomics Consortium target TT205 | | Descriptor: | CALCIUM ION, Conserved protein MTH889 | | Authors: | Forouhar, F, Su, M, Xu, X, Seetharaman, J, Mao, L, Xiao, R, Ma, L.-C, Conover, K, Baran, M.C, Acton, T.B, Montelione, G.T, Arrowsmith, C.H, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-09-17 | | Release date: | 2007-10-16 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Crystal structure of the MTH889 protein from Methanothermobacter thermautotrophicus.
To be Published
|
|
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: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of SE1688 protein from Staphylococcus epidermidis.
To be Published
|
|
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: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of tRNA isopentenylpyrophosphate transferase (BH2366) from Bacillus halodurans.
To be Published
|
|
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: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the SAM-dependent methyltransferase NGO1261 from Neisseria gonorrhoeae.
To be Published
|
|
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: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the rare lipoprotein B (SO_1173) from Shewanella oneidensis.
To be Published
|
|
7L8K
 | | Crystal structure of human GPX4-U46C | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, PHOSPHATE 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 (1.38 Å) | | Cite: | Patient-derived variant of GPX4 reveals the structural basis for its catalytic activity and degradation mechanism
Nat.Chem.Biol., 2021
|
|
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: | 2024-11-20 | | 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
|
|
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
|
|
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
|
|
7TIY
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-48 | | Descriptor: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | 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: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.79 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
|
|
7TIZ
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-63 | | Descriptor: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | 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: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.55 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
|
|
7U4L
 | | Crystal structure of human GPX4-U46C in complex with MAC-5576 | | Descriptor: | Phospholipid hydroperoxide glutathione peroxidase, thiophene-2-carbaldehyde | | 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: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
|
|
7U4N
 | | Crystal structure of human GPX4-U46C in complex with RSL3 | | Descriptor: | Phospholipid hydroperoxide glutathione peroxidase, methyl (1S,3R)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate | | 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: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
|
|
7U4I
 | | Crystal structure of human GPX4-U46C-R152H in complex with CDS9 | | Descriptor: | 2-bromo-N-[(thiophen-2-yl)methyl]acetamide, Phospholipid hydroperoxide glutathione peroxidase, THIOCYANATE ION | | 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: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
|
|
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
|
|
