2K5Q
 
 | | NMR Solution structure of membrane associated protein from Bacillus cereus: Northeast Structural Genomics Consortium Target: BcR97A | | Descriptor: | Hypothetical Membrane Associated Protein BcR97A | | Authors: | Swapna, G, Wang, D, Owens, L, Xiao, R, Liu, J, Baran, M.C, Everett, J, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-06-30 | | Release date: | 2008-08-26 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | NMR solution Structure of Membrane associated protein from Bacillus cereus: Northeast Structural Genomics Consortium Target: BcR97A
To be Published
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2KAN
 | | Solution NMR structure of ubiquitin-like domain of Arabidopsis thaliana protein At2g32350. Northeast Structural Genomics Consortium target AR3433A | | Descriptor: | uncharacterized protein ar3433a | | Authors: | Eletsky, A, Mills, J.L, Sukumaran, D, Hua, J, Shastry, R, Jiang, M, Ciccosanti, C, Xiao, R, Liu, J, Everret, J.K, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-11-11 | | Release date: | 2008-11-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of ubiquitin-like domain of Arabidopsis thaliana protein At2g32350.
To be Published
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4MW2
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1472) | | Descriptor: | 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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4MW7
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1469) | | Descriptor: | 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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2JQN
 | | Solution NMR structure of CC0527 from Caulobacter crescentus. Northeast Structural Genomics Target CCR55 | | Descriptor: | Hypothetical protein | | Authors: | Aramini, J.M, Rossi, P, Moseley, H.N.B, Wang, D, Nwosu, C, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-06-05 | | Release date: | 2007-07-03 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of CC0527 from Caulobacter crescentus
To be Published
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2K7J
 | | Human Acylphosphatase(AcPh) surface charge-optimized | | Descriptor: | Acylphosphatase-1 | | Authors: | Gribenko, A.V, Patel, M.M, Liu, J, McCallum, S.A, Wang, C, Makhatadze, G.I. | | Deposit date: | 2008-08-12 | | Release date: | 2009-02-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Rational stabilization of enzymes by computational redesign of surface charge-charge interactions
Proc.Natl.Acad.Sci.USA, 106, 2009
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2K5W
 | | Solution NMR Structure of Putative Lipoprotein from Bacillus cereus Ordered Locus BC_2438. Northeast Structural Genomics Target BcR103A. | | Descriptor: | Hypothetical Cytosolic Protein BcR103A | | Authors: | Conover, K.M, Swapna, G, Rossi, P, Wang, D, Janjua, H, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-06-30 | | Release date: | 2008-08-26 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of Putative Lipoprotein from Bacillus cereus Ordered Locus BC_2438. Northeast Structural Genomics Target BcR103A.
To be Published
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2KCD
 | | Solution NMR structure of SSP0047 from Staphylococcus saprophyticus. Northeast Structural Genomics Consortium Target SyR6. | | Descriptor: | Uncharacterized protein SSP0047 | | Authors: | Ramelot, T.A, Ding, K, Chen, C.X, Jiang, M, Ciccosanti, C, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-12-19 | | Release date: | 2009-02-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of SSP0047 from Staphylococcus saprophyticus. Northeast Structural Genomics Consortium Target SyR6.
To be Published
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2K7K
 | | Human Acylphosphatase (AcPh) common type | | Descriptor: | Acylphosphatase-1 | | Authors: | Gribenko, A.V, Patel, M.M, Liu, J, McCallum, S.A, Wang, C, Makhatadze, G.I. | | Deposit date: | 2008-08-13 | | Release date: | 2009-02-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Rational stabilization of enzymes by computational redesign of surface charge-charge interactions
Proc.Natl.Acad.Sci.USA, 106, 2009
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2K5R
 | | Solution NMR Structure of XF2673 from Xylella fastidiosa. Northeast Structural Genomics Consortium Target XfR39 | | Descriptor: | uncharacterized protein XF2673 | | Authors: | Tang, Y, Wang, H, Jiang, M, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-06-30 | | Release date: | 2008-08-26 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of XF2673 from Xylella fastidiosa. Northeast Structural Genomics
Consortium Target XfR39
To be Published
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2KHD
 | | Solution NMR structure of VC_A0919 from Vibrio cholerae. Northeast Structural Genomics Consortium Target VcR52 | | Descriptor: | Uncharacterized protein VC_A0919 | | Authors: | Ramelot, T.A, Cort, J.R, Wang, H, Ciccosanti, C, Jiang, M, Liu, J, Rost, B, Swapna, G.V.T, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-04-02 | | Release date: | 2009-06-16 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of VC_A0919 from Vibrio cholerae. Northeast Structural Genomics Consortium Target VcR52.
To be Published
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3KA7
 | | Crystal Structure of an oxidoreductase from Methanosarcina mazei. Northeast Structural Genomics Consortium target id MaR208 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Oxidoreductase | | Authors: | Seetharaman, J, Su, M, Wang, D, Janjua, H, Cunningham, K, Owens, L, 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: | 2009-10-18 | | Release date: | 2009-11-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of an oxidoreductase from Methanosarcina mazei
To be Published
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8HB9
 | | Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053 | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | Authors: | Guo, G, Wang, B, Liu, J, Liu, Q. | | Deposit date: | 2022-10-27 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor.
Eur.J.Med.Chem., 256, 2023
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5XUW
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7SZE
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7SZH
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7SZG
 | | Structure of the Rieske Non-heme Iron Oxygenase GxtA Pressurized with Xenon | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, FE (III) ION, ... | | Authors: | Bridwell-Rabb, J, Liu, J. | | Deposit date: | 2021-11-27 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Design principles for site-selective hydroxylation by a Rieske oxygenase.
Nat Commun, 13, 2022
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7SZF
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4BHM
 | | The crystal structure of MoSub1-DNA complex reveals a novel DNA binding mode | | Descriptor: | 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP)-3', MOSUB1 TRANSCRIPTION COFACTOR, SULFATE ION | | Authors: | Huang, J, Liu, H, Zhao, Y, Huang, D, liu, J, Peng, Y. | | Deposit date: | 2013-04-04 | | Release date: | 2014-04-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Substitution of Tryptophan 89 with Tyrosine Switches the DNA Binding Mode of Pc4.
Sci.Rep., 5, 2015
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4AGH
 | | Structural features of ssDNA binding protein MoSub1 from Magnaporthe oryzae | | Descriptor: | MOSUB1, TRANSCRIPTION COFACTOR | | Authors: | Huang, J, Zhao, Y, Huang, D, liu, J, Peng, Y. | | Deposit date: | 2012-01-27 | | Release date: | 2012-08-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.787 Å) | | Cite: | Structural Features of the Single-Stranded DNA-Binding Protein Mosub1 from Magnaporthe Oryzae.
Acta Crystallogr.,Sect.D, 68, 2012
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8HAY
 | | d4-bound btDPP4 | | Descriptor: | (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline, btDPP4 | | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | | Deposit date: | 2022-10-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
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8H59
 | | A fungal MAP kinase in complex with an inhibitor | | Descriptor: | Mitogen-activated protein kinase MPS1, ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide | | Authors: | Kong, Z, Zhang, X, Wang, D, Liu, J. | | Deposit date: | 2022-10-12 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-Aided Identification of an Inhibitor Targets Mps1 for the Management of Plant-Pathogenic Fungi.
Mbio, 14, 2023
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2JR2
 | | Solution NMR structure of homodimer CPS_2611 from Colwellia psychrerythraea. Northeast Structural Genomics Consortium target CsR4. | | Descriptor: | UPF0352 protein CPS_2611 | | Authors: | Ramelot, T.A, Cort, J.R, Wang, H, Nwosu, C, Cunningham, K, Owens, L, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-06-19 | | Release date: | 2007-07-03 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of homodimer CPS_2611 from Colwellia psychrerythraea.
To be Published
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2KK6
 | | Solution structure of sh2 domain of proto-oncogene tyrosine-protein kinase fer from homo sapiens, northeast structural genomics consortium (nesg) target hr3461d | | Descriptor: | Proto-oncogene tyrosine-protein kinase FER | | Authors: | Tang, Y, Wang, D, Nwosu, C, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-06-15 | | Release date: | 2009-08-11 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of sh2 domain of proto-oncogene tyrosine-protein kinase fer from homo sapiens, northeast structural genomics consortium (nesg) target hr3461d
To be Published
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2K5K
 | | Solution structure of RhR2 from Rhodobacter Sphaeroides. Northeast Structural Genomics Consortium | | Descriptor: | uncharacterized protein RhR2 | | Authors: | Lee, H, Bansal, S, Chen, C.X, Jiang, M, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Prestegard, J.H, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-06-28 | | Release date: | 2008-08-26 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of RhR2
To be Published
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