7OY2
 
 | | High resolution structure of cytochrome bd-II oxidase from E. coli | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[(2~{E},6~{E},10~{Z},14~{E},18~{E},22~{E},26~{E})-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione, CARDIOLIPIN, ... | | Authors: | Grund, T.N, Wu, D, Bald, D, Michel, H, Safarian, S. | | Deposit date: | 2021-06-23 | | Release date: | 2021-12-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.06 Å) | | Cite: | Mechanistic and structural diversity between cytochrome bd isoforms of Escherichia coli .
Proc.Natl.Acad.Sci.USA, 118, 2021
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4LOL
 | | Crystal structure of mSting in complex with DMXAA | | Descriptor: | (5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid, Stimulator of interferon genes protein | | Authors: | Gao, P, Patel, D.J. | | Deposit date: | 2013-07-12 | | Release date: | 2013-08-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
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1NWB
 | | Solution NMR Structure of Protein AQ_1857 from Aquifex aeolicus: Northeast Structural Genomics Consortium Target QR6. | | Descriptor: | Hypothetical protein AQ_1857 | | Authors: | Xu, D, Liu, G, Xiao, R, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-02-05 | | Release date: | 2003-06-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the hypothetical protein AQ-1857 encoded by the Y157 gene from Aquifex aeolicus reveals a novel protein fold.
Proteins, 54, 2004
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7P3I
 | | Crystal structure of human CD40/TNFRSF5 in complex with the anti-CD40 DARPin protein | | Descriptor: | Darpin, SODIUM ION, Tumor necrosis factor receptor superfamily member 5 | | Authors: | Malvezzi, F, Mangold, S, Hospodarsch, T, Reichen, C, Iss, C, Lammens, A, Krapp, S, Domke, C. | | Deposit date: | 2021-07-07 | | Release date: | 2022-04-06 | | Last modified: | 2022-05-11 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | A Multispecific Anti-CD40 DARPin Construct Induces Tumor-Selective CD40 Activation and Tumor Regression.
Cancer Immunol Res, 10, 2022
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7UWG
 | | The crystal structure of the TIR domain-containing protein from Acinetobacter baumannii (AbTir) | | Descriptor: | HEXAETHYLENE GLYCOL, Molecular chaperone Tir, SULFATE ION | | Authors: | Manik, M.K, Nanson, J.D, Ve, T, Kobe, B. | | Deposit date: | 2022-05-03 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
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7UXR
 | | Crystal structure of the BtTir TIR domain | | Descriptor: | TIR domain protein | | Authors: | Shi, Y, Masic, V, Mosaiab, T, Vasquez, E, Ve, T. | | Deposit date: | 2022-05-06 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
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7UXS
 | | Crystal structure of the BcThsA SLOG domain in complex with 3'cADPR | | Descriptor: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, BcThsA, GLYCEROL, ... | | Authors: | Shi, Y, Masic, V, Mosaiab, T, Ve, T. | | Deposit date: | 2022-05-06 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
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7UXT
 | | Crystal structure of ligand-free SeThsA | | Descriptor: | GLYCEROL, TRIETHYLENE GLYCOL, USG protein | | Authors: | Shi, Y, Masic, V, Mosaiab, T, Nanson, J.D, Kobe, B, Ve, T. | | Deposit date: | 2022-05-06 | | Release date: | 2022-09-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
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1PUZ
 | | Solution NMR Structure of Protein NMA1147 from Neisseria meningitidis. Northeast Structural Genomics Consortium Target MR19 | | Descriptor: | conserved hypothetical protein | | Authors: | Liu, G, Xu, D, Sukumaran, D.K, Chiang, Y, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-06-25 | | Release date: | 2004-06-29 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the hypothetical protein NMA1147 from Neisseria meningitidis reveals a distinct 5-helix bundle.
Proteins, 55, 2004
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7UVF
 | | Crystal structure of ZED8 Fab complex with CD8 alpha | | Descriptor: | CHLORIDE ION, GLYCEROL, Immunoglobulin heavy chain, ... | | Authors: | Yu, C, Davies, C, Koerber, J.T, Williams, S. | | Deposit date: | 2022-05-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Preclinical development of ZED8, an 89 Zr immuno-PET reagent for monitoring tumor CD8 status in patients undergoing cancer immunotherapy.
Eur J Nucl Med Mol Imaging, 50, 2023
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1NLR
 | | ENDO-1,4-BETA-GLUCANASE CELB2, CELLULASE, NATIVE STRUCTURE | | Descriptor: | ENDO-1,4-BETA-GLUCANASE | | Authors: | Sulzenbacher, G, Dupont, C, Davies, G.J. | | Deposit date: | 1997-10-27 | | Release date: | 1998-11-25 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Streptomyces lividans family 12 endoglucanase: construction of the catalytic cre, expression, and X-ray structure at 1.75 A resolution.
Biochemistry, 36, 1997
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2HU6
 | | Crystal structure of human MMP-12 in complex with acetohydroxamic acid and a bicyclic inhibitor | | Descriptor: | (1S,5S,7R)-N~7~-(BIPHENYL-4-YLMETHYL)-N~3~-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | | Authors: | Mannino, C, Nievo, M, Machetti, F, Papakyriakou, A, Calderone, V, Fragai, M, Guarna, A. | | Deposit date: | 2006-07-26 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Synthesis of bicyclic molecular scaffolds (BTAa): an investigation towards new selective MMP-12 inhibitors.
Bioorg.Med.Chem., 14, 2006
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1Q48
 | | Solution NMR Structure of The Haemophilus Influenzae Iron-Sulfur Cluster Assembly Protein U (IscU) with Zinc Bound at the Active Site. Northeast Structural Genomics Consortium Target IR24. This protein is not apo, it is a model without zinc binding constraints. | | Descriptor: | NifU-like protein | | Authors: | Ramelot, T.A, Cort, J.R, Xiao, R, Shastry, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-08-01 | | Release date: | 2003-11-18 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site.
J.Mol.Biol., 344, 2004
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2F9V
 | | HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with P1 and P2 cyclopropylalannines | | Descriptor: | (2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID, NS3 protease/helicase, ZINC ION, ... | | Authors: | Bogen, S.L, Ruan, S, Liu, R, Agrawal, S, Pichardo, J, Prongay, A, Baroudy, B, Saksena, A, Girijavallabhan, V, Njoroge, F.G. | | Deposit date: | 2005-12-06 | | Release date: | 2007-01-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Depeptidization efforts on P3-P2 a-ketoamide inhibitors of HCV NS3-4A serine protease: Effect on HCV replicon activity.
Bioorg.Med.Chem.Lett., 16, 2006
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5LS6
 | | Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor | | Descriptor: | 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide, Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2, Jarid2 K116me3, ... | | Authors: | Zhang, Y, Justin, N, Chen, S, Wilson, J, Gamblin, S. | | Deposit date: | 2016-08-22 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.47 Å) | | Cite: | Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas.
J. Med. Chem., 59, 2016
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2RDE
 | | Crystal structure of VCA0042 complexed with c-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Uncharacterized protein VCA0042 | | Authors: | Benach, J, Swaminathan, S.S, Tamayo, R, Seetharaman, J, Handelman, S, Forouhar, F, Neely, H, Camilli, A, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-09-22 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | The structural basis of cyclic diguanylate signal transduction by PilZ domains.
Embo J., 26, 2007
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7N2B
 | | A DARPin semi-rigidly fused to the 3TEL crystallization chaperone | | Descriptor: | Transcription factor ETV6,Transcription factor ETV6,Transcription factor ETV6,3TEL-rigid-DARPin | | Authors: | Sarath Nawarathange, S.D, Gajjar, P, Bunn, D, Stewart, C, Doukov, T, Moody, J.D. | | Deposit date: | 2021-05-28 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.221 Å) | | Cite: | Crystals of TELSAM-target protein fusions that exhibit minimal crystal contacts and lack direct inter-TELSAM contacts.
Open Biology, 12, 2022
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7N1O
 | | The von Willebrand factor A domain of human capillary morphogenesis gene II, flexibly fused to the 1TEL crystallization chaperone | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Transcription factor ETV6,Isoform 4 of Anthrax toxin receptor 2 | | Authors: | Mathis, M.H, Bezzant, B.D, Ramirez, D.T, Sarath Nawarathnage, S.D, Doukov, T, Moody, J.D. | | Deposit date: | 2021-05-27 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Crystals of TELSAM-target protein fusions that exhibit minimal crystal contacts and lack direct inter-TELSAM contacts.
Open Biology, 12, 2022
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6P9S
 | | E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 7 | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Ma, X, Shia, S, Ornelas, E. | | Deposit date: | 2019-06-10 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
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6P9Q
 | | E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 2 | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Ma, X, Shia, S, Ornelas, E. | | Deposit date: | 2019-06-10 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
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8EQF
 | | cryoEM structure of a broadly neutralizing anti-SARS-CoV-2 antibody STI-9167 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ... | | Authors: | Bajic, G. | | Deposit date: | 2022-10-07 | | Release date: | 2023-10-11 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | An in vitro experimental pipeline to characterize the epitope of a SARS-CoV-2 neutralizing antibody.
Mbio, 15, 2024
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3RTX
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2INW
 | | Crystal structure of Q83JN9 from Shigella flexneri at high resolution. Northeast Structural Genomics Consortium target SfR137. | | Descriptor: | PHOSPHATE ION, Putative structural protein | | Authors: | Kuzin, A.P, Su, M, Jayaraman, S, Vorobiev, S.M, Wang, D, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-10-09 | | Release date: | 2006-10-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 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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2IEE
 | | Crystal Structure of YCKB_BACSU from Bacillus subtilis. Northeast Structural Genomics Consortium target SR574. | | Descriptor: | Probable ABC transporter extracellular-binding protein yckB | | Authors: | Kuzin, A.P, Su, M, Jayaraman, S, Chen, X.C, Jang, M, Cunningham, K, Ma, 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: | 2006-09-18 | | Release date: | 2006-10-03 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of probable ABC transporter extracellular-binding protein yckB from Bacillus subtilis.
To be Published
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6P9P
 | | E.coli LpxA in complex with Compound 1 | | Descriptor: | 3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, ... | | Authors: | Ma, X, Shia, S, Ornelas, E. | | Deposit date: | 2019-06-10 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
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