5FPO
 
 | | Structure of Bacterial DNA Ligase with small-molecule ligand 1H- indazol-7-amine (AT4213) in an alternate binding site. | | Descriptor: | 1H-indazol-7-amine, DNA LIGASE | | Authors: | Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A. | | Deposit date: | 2015-12-02 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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8JHO
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7M16
 | | Triazole-based BET family bromodomain inhibitor bound to BRD4(D1) | | Descriptor: | 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide, Bromodomain-containing protein 4 | | Authors: | Johnson, J.A, Pomerantz, W. | | Deposit date: | 2021-03-12 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Systematically Mitigating the p38alpha Activity of Triazole-based BET Inhibitors
ACS Med. Chem. Lett., 10, 2019
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2LF3
 | | Solution NMR structure of HopPmaL_281_385 from Pseudomonas syringae pv. maculicola str. ES4326, Midwest Center for Structural Genomics target APC40104.5 and Northeast Structural Genomics Consortium target PsT2A | | Descriptor: | Effector protein hopAB3 | | Authors: | Wu, B, Yee, A, Houliston, S, Semesi, A, Garcia, M, Singer, A.U, Savchenko, A, Montelione, G.T, Joachimiak, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG), Ontario Centre for Structural Proteomics (OCSP) | | Deposit date: | 2011-06-28 | | Release date: | 2011-07-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Analysis of HopPmaL Reveals the Presence of a Second Adaptor Domain Common to the HopAB Family of Pseudomonas syringae Type III Effectors.
Biochemistry, 51, 2012
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2LF6
 | | Solution NMR structure of HopABPph1448_220_320 from Pseudomonas syringae pv. phaseolicola str. 1448A, Midwest Center for Structural Genomics target APC40132.4 and Northeast Structural Genomics Consortium target PsT3A | | Descriptor: | Effector protein hopAB1 | | Authors: | Wu, B, Yee, A, Houliston, S, Semesi, A, Garcia, M, Singer, A.U, Savchenko, A, Montelione, G.T, Joachimiak, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG), Ontario Centre for Structural Proteomics (OCSP) | | Deposit date: | 2011-06-28 | | Release date: | 2011-07-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Analysis of HopPmaL Reveals the Presence of a Second Adaptor Domain Common to the HopAB Family of Pseudomonas syringae Type III Effectors.
Biochemistry, 51, 2012
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2M2J
 | | Solution NMR structure of the N-terminal domain of STM1478 from Salmonella typhimurium LT2: Target STR147A of the Northeast Structural Genomics consortium (NESG), and APC101565 of the Midwest Center for Structural Genomics (MCSG). | | Descriptor: | Putative periplasmic protein | | Authors: | Houliston, S, Yee, A, Lemak, A, Garcia, M, Wu, B, Savchenko, A, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-12-21 | | Release date: | 2013-05-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
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2MA8
 | | Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein SrfN: Northeast Structural Genomics Consortium Target StR109 | | Descriptor: | Putative secreted protein | | Authors: | Cort, J.R, Eletsky, A, Adkins, J.N, Burnet, M.C, Parish, D, Liu, K, Sukumaran, D.K, Jiang, M, Cunningham, K, Ma, T, Xiao, R, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-06-29 | | Release date: | 2013-09-04 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
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3H2Y
 | | Crystal structure of YqeH GTPase from Bacillus anthracis with dGDP bound | | Descriptor: | 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, GTPase family protein | | Authors: | Brunzelle, J.S, Anderson, S.M, Xu, X, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-04-15 | | Release date: | 2009-06-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of YqeH GTPase from Bacillus anthracis with dGDP Bound
To be Published
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5JD6
 | | Crystal structure of MGS-MChE2, an alpha/beta hydrolase enzyme from the metagenome of sediments from the lagoon of Mar Chica, Morocco | | Descriptor: | MGS-MChE2 | | Authors: | Stogios, P.J, Xu, X, Nocek, B, Yim, V, Cui, H, Martinez-Martinez, M, Golyshin, P.N, Yakima, M.M, Ferrer, M, Savchenko, A. | | Deposit date: | 2016-04-15 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.463 Å) | | Cite: | Crystal structure of MGS-MChE2, an alpha/beta hydrolase enzyme from the metagenome of sediments from the lagoon of Mar Chica, Morocco
To Be Published
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6MH7
 | | Crystal structure of the first bromodomain of human BRD4 in complex with SKT-68, a 1,4,5-trisubstituted imidazole analogue | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2018-09-17 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
J.Med.Chem., 61, 2018
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6MH1
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH HU-10, A 1,4,5-Trisubstituted Imidazole Analogue | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2018-09-17 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
J.Med.Chem., 61, 2018
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6O3P
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3FTT
 | | Crystal Structure of the galactoside O-acetyltransferase from Staphylococcus aureus | | Descriptor: | Putative acetyltransferase SACOL2570 | | Authors: | Knapik, A.A, Shumilin, I.A, Cui, H, Xu, X, Chruszcz, M, Zimmerman, M.D, Cymborowski, M, Anderson, W.F, Savchenko, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-01-13 | | Release date: | 2009-03-03 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Biophysical analysis of the putative acetyltransferase SACOL2570 from methicillin-resistant Staphylococcus aureus.
J.Struct.Funct.Genom., 14, 2013
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1ZUO
 | | Structure of Human Ubiquitin-Conjugating Enzyme (UBCi) Involved in Embryo Attachment and Implantation | | Descriptor: | BETA-MERCAPTOETHANOL, Hypothetical protein LOC92912 | | Authors: | Walker, J.R, Avvakumov, G.V, Cui, H, Newman, E.M, Mackenzie, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-05-31 | | Release date: | 2005-07-05 | | Last modified: | 2012-11-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
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8HIH
 | | Cryo-EM structure of Mycobacterium tuberculosis transcription initiation complex with transcription factor GlnR | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Lin, W, Shi, J, Xu, J.C. | | Deposit date: | 2022-11-20 | | Release date: | 2023-06-07 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8HML
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3CQV
 | | Crystal structure of Reverb beta in complex with heme | | Descriptor: | Nuclear receptor subfamily 1 group D member 2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Xu, X, Dong, A, Pardee, K.I, Reinking, J, Krause, H, Schuetz, A, Zhang, R, Cui, H, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Savchenko, A, Botchkarev, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-04-03 | | Release date: | 2008-08-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structural basis of gas-responsive transcription by the human nuclear hormone receptor REV-ERBbeta.
Plos Biol., 7, 2009
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4HFV
 | | Crystal structure of lpg1851 protein from Legionella pneumophila (putative T4SS effector) | | Descriptor: | CITRIC ACID, SUCCINIC ACID, Uncharacterized protein | | Authors: | Michalska, K, Xu, X, Cui, H, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-10-05 | | Release date: | 2012-11-07 | | Last modified: | 2017-01-04 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Diverse mechanisms of metaeffector activity in an intracellular bacterial pathogen, Legionella pneumophila.
Mol Syst Biol, 12, 2016
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4I3F
 | | Crystal structure of serine hydrolase CCSP0084 from the polyaromatic hydrocarbon (PAH)-degrading bacterium Cycloclasticus zankles | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | | Authors: | Stogios, P.J, Xu, X, Dong, A, Cui, H, Alcaide, M, Tornes, J, Gertler, C, Yakimov, M.M, Golyshin, P.N, Ferrer, M, Savchenko, A. | | Deposit date: | 2012-11-26 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Single residues dictate the co-evolution of dual esterases: MCP hydrolases from the alpha / beta hydrolase family.
Biochem.J., 454, 2013
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7EKB
 | | Crystal structure of 4E10 modified with pyrene acetamide | | Descriptor: | ACETATE ION, Fab region of the heavy chain of broadly neutralizing antibody anti-HIV-1 4E10, Fab region of the light chain of the broadly neutralizing anti-HIV-1 antibody 4E10, ... | | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L. | | Deposit date: | 2021-04-05 | | Release date: | 2021-08-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile.
Iscience, 24, 2021
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7EKK
 | | Anti-HIV-1 broadly neutralizing antibody delta-loop 4E10 modified with pyrene acetamide | | Descriptor: | AMMONIUM ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L. | | Deposit date: | 2021-04-05 | | Release date: | 2021-08-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile.
Iscience, 24, 2021
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7JOO
 | | Crystal structure of ICOS in complex with antibody STIM003 and anti-kappa VHH domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Inducible T-cell costimulator, ... | | Authors: | Rujas, E, Sicard, T, Julien, J.P. | | Deposit date: | 2020-08-06 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural characterization of the ICOS/ICOS-L immune complex reveals high molecular mimicry by therapeutic antibodies.
Nat Commun, 11, 2020
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2Z5D
 | | Human ubiquitin-conjugating enzyme E2 H | | Descriptor: | SODIUM ION, Ubiquitin-conjugating enzyme E2 H | | Authors: | Bochkarev, A, Cui, H, Walker, J.R, Newman, E.M, Mackenzie, F, Battaile, K.P, Sundstrom, M, Arrowsmith, C, Edwards, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-06 | | Release date: | 2007-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
MOL.CELL PROTEOMICS, 11, 2012
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6AND
 | | Pinatuzumab Fab in complex with anti-Kappa VHH domain | | Descriptor: | Anti-kappa VHH domain, GLYCEROL, Pinatuzumab Fab Heavy chain, ... | | Authors: | Ereno-Orbea, J, Sicard, T, Julien, J.-P. | | Deposit date: | 2017-08-12 | | Release date: | 2018-01-31 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis of Enhanced Crystallizability Induced by a Molecular Chaperone for Antibody Antigen-Binding Fragments.
J. Mol. Biol., 430, 2018
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6ANI
 | | Coltuximab Fab in complex with anti-Kappa VHH domain | | Descriptor: | Anti-Kappa VHH domain, Coltuximab Fab heavy chain, Coltuximab Fab light chain, ... | | Authors: | Ereno Orbea, J, Sicard, T, Julien, J.-P. | | Deposit date: | 2017-08-13 | | Release date: | 2018-01-31 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of Enhanced Crystallizability Induced by a Molecular Chaperone for Antibody Antigen-Binding Fragments.
J. Mol. Biol., 430, 2018
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