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PDB: 335 results

4G63
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Crystal structure of cytosolic IMP-GMP specific 5'-nucleotidase (lpg0095) in complex with phosphate ions from Legionella pneumophila, Northeast Structural Genomics Consortium Target LgR1
Descriptor: Cytosolic IMP-GMP specific 5'-nucleotidase, PHOSPHATE ION
Authors:Forouhar, F, Abashidze, M, Seetharaman, J, Ho, C.K, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-07-18
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric regulation and substrate activation in cytosolic nucleotidase II from Legionella pneumophila.
Febs J., 281, 2014
1ON0
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Crystal Structure of Putative Acetyltransferase (YycN) from Bacillus subtilis, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR144
Descriptor: CHLORIDE ION, SULFATE ION, YycN protein
Authors:Forouhar, F, Shen, J, Kuzin, A, Chiang, Y, Xiao, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-02-26
Release date:2003-03-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Putative Acetyltransferase (YycN) from Bacillus subtilis
To be Published
1NY1
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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:2011-07-13
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
1NXU
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CRYSTAL STRUCTURE OF E. COLI HYPOTHETICAL OXIDOREDUCTASE YIAK NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER82.
Descriptor: Hypothetical oxidoreductase yiaK, SULFATE ION
Authors:Forouhar, F, Lee, I, Benach, J, Kulkarni, K, Xiao, R, Acton, T.B, Shastry, R, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-02-11
Release date:2003-03-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 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
1NXZ
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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:2011-07-13
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
7U4L
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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
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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
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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:2023-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
4KSA
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BU of 4ksa by Molmil
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:2017-11-15
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
4KSF
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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
4JC0
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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
4KS9
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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
4J9T
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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
3BID
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BU of 3bid by Molmil
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:2020-01-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the NMB1088 protein from Neisseria meningitidis.
To be Published
3BIJ
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BU of 3bij by Molmil
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
7TIY
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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:2023-10-18
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
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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
7U4K
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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:2024-10-09
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
7U4M
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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
7U4J
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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
2QGV
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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
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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:2018-01-24
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Crystal structure of the MTH889 protein from Methanothermobacter thermautotrophicus.
To be Published
7TIV
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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
7TIW
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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:2024-10-16
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
7TIU
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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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