7AS2
 
 | | Influenza A PB2 (M431 mutation) in complex with VX-787 | | Descriptor: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2 | | Authors: | Radilova, K, Brynda, J. | | Deposit date: | 2020-10-26 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase.
Molecules, 26, 2021
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7AS3
 | | Influenza A PB2 (H357N mutation) in complex with VX-787 | | Descriptor: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2 | | Authors: | Radilova, K, Brynda, J. | | Deposit date: | 2020-10-26 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase.
Molecules, 26, 2021
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5WMO
 | | Crystal Structure of HLA-B7 in complex with RPP, an EBV peptide | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | | Authors: | Gras, S, Rossjohn, J. | | Deposit date: | 2017-07-30 | | Release date: | 2018-06-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Inability To Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity among Common Viruses.
J. Immunol., 200, 2018
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7AW0
 | | MerTK kinase domain in complex with purine inhibitor | | Descriptor: | 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-N-methyl-9H-purin-6-amine, Tyrosine-protein kinase Mer | | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Clarke, M, Disch, J, Goldberg, K, Guilinger, J, Hennessy, E.J, Jetson, R, Ginkunja, D, Hardaker, E, Keefe, A, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S, Zhang, Y. | | Deposit date: | 2020-11-06 | | Release date: | 2021-03-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.893 Å) | | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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8OSB
 | | TWIST1-TCF4-ALX4 complex on specific DNA | | Descriptor: | DNA (25-MER), Homeobox protein aristaless-like 4, Transcription factor 4, ... | | Authors: | Morgunova, E, Kim, S, Popov, A, Wysocka, J, Taipale, J. | | Deposit date: | 2023-04-18 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | DNA-guided transcription factor cooperativity shapes face and limb mesenchyme.
Cell, 187, 2024
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4KGI
 | | Crystal structure of a glutathione transferase family member from Shigella flexneri, target EFI-507258, bound GSH, TEV-his-tag linker in active site | | Descriptor: | GLUTATHIONE, Glutathione S-transferase | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-04-29 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of a glutathione transferase family member from Shigella flexneri, target EFI-507258, bound GSH, TEV-His-tag linker in active site
To be published
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7NSB
 | | Supramolecular assembly module of yeast Chelator-GID SR4 E3 ubiquitin ligase | | Descriptor: | Glucose-induced degradation protein 7, Glucose-induced degradation protein 8, Vacuolar import and degradation protein 30 | | Authors: | Chrustowicz, J, Sherpa, D, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2021-03-05 | | Release date: | 2021-05-05 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
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7NS4
 | | Catalytic module of yeast Chelator-GID SR4 E3 ubiquitin ligase | | Descriptor: | E3 ubiquitin-protein ligase RMD5, Protein FYV10, ZINC ION | | Authors: | Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2021-03-05 | | Release date: | 2021-05-05 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
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7NSC
 | | Substrate receptor scaffolding module of human CTLH E3 ubiquitin ligase | | Descriptor: | Glucose-induced degradation protein 4 homolog, Glucose-induced degradation protein 8 homolog, Isoform 2 of Armadillo repeat-containing protein 8, ... | | Authors: | Chrustowicz, J, Sherpa, D, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2021-03-05 | | Release date: | 2021-05-05 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
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7NS3
 | | Substrate receptor scaffolding module of yeast Chelator-GID SR4 E3 ubiquitin ligase bound to Fbp1 substrate | | Descriptor: | BJ4_G0018240.mRNA.1.CDS.1, Fructose-bisphosphatase, Glucose-induced degradation protein 8, ... | | Authors: | Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2021-03-05 | | Release date: | 2021-05-05 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
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5WBP
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5WF0
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2I6H
 | | Structure of Protein of Unknown Function ATU0120 from Agrobacterium tumefaciens | | Descriptor: | CALCIUM ION, CHLORIDE ION, Hypothetical protein Atu0120 | | Authors: | Osipiuk, J, Xu, X, Gu, J, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-08-28 | | Release date: | 2006-09-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | X-ray crystal structure of hypothetical protein Atu0120 from Agrobacterium tumefaciens.
To be Published
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7NS5
 | | Structure of yeast Fbp1 (Fructose-1,6-bisphosphatase 1) | | Descriptor: | Fructose-1,6-bisphosphatase, MAGNESIUM ION, PHOSPHATE ION | | Authors: | Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2021-03-05 | | Release date: | 2021-05-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
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6CX9
 | | Structure of alpha-GSA[16,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | | Authors: | Wang, J, Zajonc, D. | | Deposit date: | 2018-04-02 | | Release date: | 2019-04-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
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8P0D
 | | Human 14-3-3 sigma in complex with human MDM2 peptide | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Roversi, P, Ward, J, Doveston, R, Kwon, H, Romartinez Alonso, B. | | Deposit date: | 2023-05-10 | | Release date: | 2024-02-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Characterizing the protein-protein interaction between MDM2 and 14-3-3 sigma ; proof of concept for small molecule stabilization.
J.Biol.Chem., 300, 2024
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8ODP
 | | Structure of human RTCB with GMPCPP in complex with Archease | | Descriptor: | MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Protein archease, ... | | Authors: | Kopp, J, Gerber, J.L, Peschek, J. | | Deposit date: | 2023-03-09 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and mechanistic insights into activation of the human RNA ligase RTCB by Archease.
Nat Commun, 15, 2024
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6CYV
 | | E. coli DHFR ternary complex with NADP and dihydrofolate | | Descriptor: | DIHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | Deposit date: | 2018-04-06 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
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3M9Z
 | | Crystal Structure of extracellular domain of mouse NKR-P1A | | Descriptor: | Killer cell lectin-like receptor subfamily B member 1A, PHOSPHATE ION | | Authors: | Kolenko, P, Rozbesky, D, Bezouska, K, Hasek, J, Dohnalek, J. | | Deposit date: | 2010-03-23 | | Release date: | 2011-04-06 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular architecture of mouse activating NKR-P1 receptors.
J.Struct.Biol., 175, 2011
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5WFK
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5WMP
 | | Crystal Structure of HLA-B7 in complex with TPR, a CMV peptide | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gras, S, Rossjohn, J. | | Deposit date: | 2017-07-30 | | Release date: | 2018-06-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Inability To Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity among Common Viruses.
J. Immunol., 200, 2018
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5WP3
 | | Crystal Structure of EED in complex with EB22 | | Descriptor: | EB22, Polycomb protein EED, UNKNOWN ATOM OR ION | | Authors: | Dong, C, Tempel, W, Zhu, L, Moody, J.D, Baker, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-08-03 | | Release date: | 2017-09-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | First critical repressive H3K27me3 marks in embryonic stem cells identified using designed protein inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8ODO
 | | Structure of human guanylylated RTCB in complex with Archease | | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Kopp, J, Gerber, J.L, Peschek, J. | | Deposit date: | 2023-03-09 | | Release date: | 2024-03-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and mechanistic insights into activation of the human RNA ligase RTCB by Archease.
Nat Commun, 15, 2024
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4UOE
 | | Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Deoxy-5'-Methylioadenosine and 4-Aminomethylaniline | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-(aminomethyl)aniline, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | | Authors: | Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Person, L. | | Deposit date: | 2014-06-03 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design.
Acta Crystallogr.,Sect.D, 71, 2015
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4L44
 | | Crystal structures of human p70S6K1-T389A (form II) | | Descriptor: | 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ... | | Authors: | Wang, J, Zhong, C, Ding, J. | | Deposit date: | 2013-06-07 | | Release date: | 2013-07-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
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