8I0C
 
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | | Descriptor: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | | Deposit date: | 2023-01-10 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
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8JEX
 | | Cryo-EM structure of alpha-synuclein gS87 fibril | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-synuclein, unverified amino acid chain | | Authors: | Xia, W.C, Sun, Y.P, Liu, C. | | Deposit date: | 2023-05-16 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Phosphorylation and O-GlcNAcylation at the same alpha-synuclein site generate distinct fibril structures
Nat Commun, 15, 2024
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8JEY
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8KI4
 | | Crystal structure of human HSP90 in intermediate state | | Descriptor: | 1,2-ETHANEDIOL, Heat shock protein HSP 90-alpha | | Authors: | Xu, C, Zhang, X.L, Bai, F. | | Deposit date: | 2023-08-22 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies
Jacs Au, 2024
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2ICT
 | | Crystal structure of the bacterial antitoxin HigA from Escherichia coli at pH 8.5. Northeast Structural Genomics TARGET ER390. | | Descriptor: | antitoxin higa | | Authors: | Arbing, M.A, Abashidze, M, Hurley, J.M, Zhao, L, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Inouye, M, Woychik, N.A, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-09-13 | | Release date: | 2006-09-26 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems.
Structure, 18, 2010
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6J6K
 | | Apo-state streptavidin | | Descriptor: | Streptavidin | | Authors: | Fan, X, Wang, J, Lei, J.L, Wang, H.W. | | Deposit date: | 2019-01-15 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution.
Nat Commun, 10, 2019
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6J6J
 | | Biotin-bound streptavidin | | Descriptor: | BIOTIN, Streptavidin | | Authors: | Fan, X, Wang, J, Lei, J.L, Wang, H.W. | | Deposit date: | 2019-01-15 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution.
Nat Commun, 10, 2019
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6K4L
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6K4R
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6K4K
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2JVA
 | | NMR solution structure of peptidyl-tRNA hydrolase domain protein from Pseudomonas syringae pv. tomato. Northeast Structural Genomics Consortium target PsR211 | | Descriptor: | Peptidyl-tRNA hydrolase domain protein | | Authors: | Singarapu, K.K, Sukumaran, D, Parish, D, Eletsky, A, Zhang, Q, Zhao, L, Jiang, M, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Huang, Y.J, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-09-14 | | Release date: | 2007-10-02 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the peptidyl-tRNA hydrolase domain from Pseudomonas syringae expands the structural coverage of the hydrolysis domains of class 1 peptide chain release factors.
Proteins, 71, 2008
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2JRX
 | | Solution NMR structure of protein YejL from E. coli. Northeast Structural Genomics target ER309 | | Descriptor: | UPF0352 protein yejL | | Authors: | Cort, J.R, Zhao, L, Jiang, M, Cunningham, K, 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: | 2007-06-29 | | Release date: | 2007-08-07 | | Last modified: | 2018-01-24 | | Method: | SOLUTION NMR | | Cite: | NMR Chemical Shift Assignments of E. coli YejL protein.
To be Published
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2JZ5
 | | NMR solution structure of protein VPA0419 from Vibrio parahaemolyticus. Northeast Structural Genomics target VpR68 | | Descriptor: | Uncharacterized protein VPA0419 | | Authors: | Singarapu, K.K, Sukumaran, D.K, Eletski, A, Parish, D, Zhao, L, Jiang, M, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-12-28 | | Release date: | 2008-02-19 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structures of proteins VPA0419 from Vibrio parahaemolyticus and yiiS from Shigella flexneri provide structural coverage for protein domain family PFAM 04175.
Proteins, 78, 2010
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2K5E
 | | SOLUTION STRUCTURE OF PUTATIVE UNCHARACTERIZED PROTEIN GSU1278 FROM METHANOCALDOCOCCUS JANNASCHII, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET GsR195 | | Descriptor: | uncharacterized protein | | Authors: | Liu, G, Zhao, L, Ciccosanti, C, Jiang, M, Xiao, R, Swapna, G, Nair, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-06-27 | | Release date: | 2008-08-26 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | SOLUTION STRUCTURE OF PUTATIVE UNCHARACTERIZED PROTEIN GSU1278 FROM METHANOCALDOCOCCUS JANNASCHII, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET GsR195
To be Published
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2LML
 | | Solution NMR structure of holo acyl carrier protein from geobacter Metallireducens refined with nh rdcs, Northeast Structural Genomics consortium target gmr141 | | Descriptor: | 4'-PHOSPHOPANTETHEINE, Putative acyl carrier protein | | Authors: | Ramelot, T.A, Smola, M.J, Lee, H, Zhao, L, Ciccosanti, C, Foote, E.L, Hamilton, K, Nair, R, Rost, B, Swapna, G, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-12-05 | | Release date: | 2012-01-25 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution structure of 4'-phosphopantetheine - GmACP3 from Geobacter metallireducens: a specialized acyl carrier protein with atypical structural features and a putative role in lipopolysaccharide biosynthesis.
Biochemistry, 50, 2011
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7C2E
 | | GLP-1R-Gs complex structure with a small molecule full agonist | | Descriptor: | 2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Ma, H, Yuan, D.P, Huang, W, Wenge, Z, Xu, E. | | Deposit date: | 2020-05-07 | | Release date: | 2020-08-26 | | Last modified: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural insights into the activation of GLP-1R by a small molecule agonist.
Cell Res., 30, 2020
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7CZL
 | | Structural insights into a dimeric Psb27-photosystem II complex from a cyanobacterium Thermosynechococcus vulcanus | | Descriptor: | (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Pi, X, Huang, G, Xiao, Y. | | Deposit date: | 2020-09-09 | | Release date: | 2021-01-20 | | Last modified: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (3.78 Å) | | Cite: | Structural insights into a dimeric Psb27-photosystem II complex from a cyanobacterium Thermosynechococcus vulcanus .
Proc.Natl.Acad.Sci.USA, 118, 2021
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7E14
 | | Compound2_GLP-1R_OWL833_Gs complex structure | | Descriptor: | 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one, CHOLESTEROL, G protein, ... | | Authors: | Cong, Z.T, Chen, L.N, Ma, H.L, Yang, D.H, Xu, H.E, Zhang, Y, Wang, M.W. | | Deposit date: | 2021-01-30 | | Release date: | 2021-07-07 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
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7WYP
 | | Structure of the SARS-COV-2 main protease with EN102 inhibitor | | Descriptor: | 3C-like proteinase, N-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-prop-2-enamide | | Authors: | Qin, B, Hou, P, Gao, X, Cui, S. | | Deposit date: | 2022-02-16 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease.
Acta Pharm Sin B, 12, 2022
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7WYO
 | | Structure of the EV71 3Cpro with 338 inhibitor | | Descriptor: | 3C protein, N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide | | Authors: | Qin, B, Hou, P, Gao, X, Cui, S. | | Deposit date: | 2022-02-16 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease.
Acta Pharm Sin B, 12, 2022
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7WYL
 | | Structure of the EV71 3Cpro with 337 inhibitor | | Descriptor: | 3C protein, N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide | | Authors: | Qin, B, Hou, P, Gao, X, Cui, S. | | Deposit date: | 2022-02-16 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease.
Acta Pharm Sin B, 12, 2022
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7WYM
 | | Structure of the SARS-COV-2 main protease with 337 inhibitor | | Descriptor: | 3C-like proteinase nsp5, N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide | | Authors: | Qin, B, Hou, P, Gao, X, Cui, S. | | Deposit date: | 2022-02-16 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease.
Acta Pharm Sin B, 12, 2022
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7WN8
 | | Crystal structure of antibody (BC31M5) binds to CD47 | | Descriptor: | BC31M5 Fab Heavy chain, BC31M5 Fab Light chain, Leukocyte surface antigen CD47, ... | | Authors: | Li, Y, Wang, W, Sui, J, Zhang, S. | | Deposit date: | 2022-01-17 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A pH-dependent anti-CD47 antibody that selectively targets solid tumors and improves therapeutic efficacy and safety.
J Hematol Oncol, 16, 2023
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7X7M
 | | Lumazine Synthase from Aquifex aeolicus | | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase | | Authors: | Sobhy, M.A, Hamdan, S.M. | | Deposit date: | 2022-03-09 | | Release date: | 2022-10-12 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (2.33 Å) | | Cite: | Cryo-electron structures of the extreme thermostable enzymes Sulfur Oxygenase Reductase and Lumazine Synthase.
Plos One, 17, 2022
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7X9W
 | | Sulfur Oxygenase Reductase from Acidianus ambivalens | | Descriptor: | FE (III) ION, Sulfur oxygenase/reductase | | Authors: | Sobhy, M.A, Hamdan, S.M. | | Deposit date: | 2022-03-16 | | Release date: | 2022-10-12 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | Cryo-electron structures of the extreme thermostable enzymes Sulfur Oxygenase Reductase and Lumazine Synthase.
Plos One, 17, 2022
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