8F0W
| Tudor Domain of Tumor suppressor p53BP1 with MFP-5956 | Descriptor: | 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]butan-1-one, TP53-binding protein 1, UNKNOWN ATOM OR ION | Authors: | The, J, Hong, Z, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-04 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Tudor Domain of Tumor suppressor p53BP1 with MFP-5956 to be published
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6HCU
| Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum bound to a difluoro cyclohexyl chromone ligand | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HISTIDINE, ... | Authors: | Tamjar, J, Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | Deposit date: | 2018-08-16 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc.Natl.Acad.Sci.USA, 116, 2019
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4YT9
| Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) substrate-unbound. | Descriptor: | GLYCEROL, Peptidylarginine deiminase, SODIUM ION | Authors: | Goulas, T, Mizgalska, D, Garcia-Ferrer, I, Kantyka, T, Guevara, T, Szmigielski, B, Sroka, A, Millan, C, Uson, I, Veillard, F, Potempa, B, Mydel, P, Sola, M, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2015-03-17 | Release date: | 2015-07-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase. Sci Rep, 5, 2015
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8ESX
| HIV protease in complex with benzoxaborolone analog of darunavir | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Windsor, I.W, Graham, B.J, Raines, R.T. | Deposit date: | 2022-10-15 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Inhibition of HIV-1 Protease by a Boronic Acid with High Oxidative Stability. Acs Med.Chem.Lett., 14, 2023
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6MLK
| Structure of Thioesterase from DEBS with a thioesterase-specific antibody | Descriptor: | 6-deoxyerythronolide-B synthase EryA3, modules 5 and 6, CHLORIDE ION, ... | Authors: | Mathews, I.I, Li, X, Khosla, C. | Deposit date: | 2018-09-27 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Discovery and Characterization of a Thioesterase-Specific Monoclonal Antibody That Recognizes the 6-Deoxyerythronolide B Synthase. Biochemistry, 57, 2018
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6PZF
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8ESY
| D30N mutant HIV protease in complex with benzoxaborolone analog of darunavir | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | Authors: | Windsor, I.W, Graham, B.J, Raines, R.T. | Deposit date: | 2022-10-15 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Inhibition of HIV-1 Protease by a Boronic Acid with High Oxidative Stability. Acs Med.Chem.Lett., 14, 2023
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7B73
| Insight into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2. | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Short-chain dehydrogenase/reductase SDR | Authors: | Wessel, J, Petrillo, G, Estevez, M, Bosh, S, Seeger, M, Dijkman, W.P, Hidalgo, A, Uson, I, Osuna, S, Schallmey, A. | Deposit date: | 2020-12-09 | Release date: | 2021-04-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2. Febs J., 288, 2021
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5NJG
| Structure of an ABC transporter: part of the structure that could be built de novo | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3-Fab heavy chain, 5D3-Fab light chain, ... | Authors: | Taylor, N.M.I, Manolaridis, I, Jackson, S.M, Kowal, J, Stahlberg, H, Locher, K.P. | Deposit date: | 2017-03-28 | Release date: | 2017-06-07 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Structure of the human multidrug transporter ABCG2. Nature, 546, 2017
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3MF2
| Crystal structure of class II aaRS homologue (Bll0957) complexed with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Bll0957 protein, GLYCEROL, ... | Authors: | Weygand-Durasevic, I, Mocibob, M, Ivic, N, Bilokapic, S, Maier, T, Luic, M, Ban, N. | Deposit date: | 2010-04-01 | Release date: | 2010-07-28 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Homologs of aminoacyl-tRNA synthetases acylate carrier proteins and provide a link between ribosomal and nonribosomal peptide synthesis Proc.Natl.Acad.Sci.USA, 107, 2010
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8F0F
| HIV-1 wild type protease with GRL-110-19A, a chloroacetamide derivative based on Darunavir as P2' group | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | Deposit date: | 2022-11-02 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Evaluation of darunavir-derived HIV-1 protease inhibitors incorporating P2' amide-derivatives: Synthesis, biological evaluation and structural studies. Bioorg.Med.Chem.Lett., 83, 2023
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7AKJ
| Structure of the SARS-CoV spike glycoprotein in complex with the 47D11 neutralizing antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ... | Authors: | Fedry, J, Hurdiss, D.L, Wang, C, Li, W, Obal, G, Drulyte, I, Howes, S.C, van Kuppeveld, F.J.M, Foerster, F, Bosch, B.J. | Deposit date: | 2020-10-01 | Release date: | 2021-05-19 | Last modified: | 2021-06-16 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural insights into the cross-neutralization of SARS-CoV and SARS-CoV-2 by the human monoclonal antibody 47D11. Sci Adv, 7, 2021
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4YNP
| ASH1L SET domain S2259M mutant in complex with S-adenosyl methionine (SAM) | Descriptor: | Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ZINC ION | Authors: | Rogawski, D.S, Ndoj, J, Cho, H.-J, Maillard, I, Grembecka, J, Cierpicki, T. | Deposit date: | 2015-03-10 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Two Loops Undergoing Concerted Dynamics Regulate the Activity of the ASH1L Histone Methyltransferase. Biochemistry, 54, 2015
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7AIP
| Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Reference Map) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ebenhoch, R, Chi, G, Man, H, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Liko, I, Tehan, B.G, Almeida, F.G, Elkins, J, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Tang, H, Robinson, C.V, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L, Structural Genomics Consortium (SGC) | Deposit date: | 2020-09-28 | Release date: | 2021-06-02 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters. Embo J., 40, 2021
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8EIP
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4GFC
| N-terminal coiled-coil dimer of C.elegans SAS-6, crystal form B | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Spindle assembly abnormal protein 6, ... | Authors: | Erat, M.C, Vakonakis, I. | Deposit date: | 2012-08-03 | Release date: | 2013-06-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Caenorhabditis elegans centriolar protein SAS-6 forms a spiral that is consistent with imparting a ninefold symmetry. Proc.Natl.Acad.Sci.USA, 110, 2013
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8EIN
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7AQM
| ADP-ribosylserine hydrolase ARH3 of Latimeria chalumnae in complex with alpha-1''-O-methyl-ADP-ribose (meADPr) | Descriptor: | ADP-ribosylhydrolase like 2, Adenosine 5'-diphosphoric acid beta-[(3beta,4beta-dihydroxy-5beta-methoxytetrahydrofuran-2alpha-yl)methyl] estere, MAGNESIUM ION | Authors: | Rack, J.G.M, Zorzini, V, Ahel, I. | Deposit date: | 2020-10-22 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanistic insights into the three steps of poly(ADP-ribosylation) reversal. Nat Commun, 12, 2021
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8VMF
| Crystal structure of a transition-state mimic of the GSK-3/Axin complex bound to a beta-catenin S45D peptide | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Axin-1, ... | Authors: | Enos, M.D, Gavagan, M, Jameson, N, Zalatan, J.G, Weis, W.I. | Deposit date: | 2024-01-13 | Release date: | 2024-08-28 | Last modified: | 2024-09-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and functional effects of phosphopriming and scaffolding in the kinase GSK-3 beta. Sci.Signal., 17, 2024
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8VME
| Crystal structure of the GSK-3/Axin complex bound to a phosphorylated beta-catenin T41A peptide | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Axin-1, Catenin beta-1, ... | Authors: | Enos, M.D, Gavagan, M, Jameson, N, Zalatan, J.G, Weis, W.I. | Deposit date: | 2024-01-13 | Release date: | 2024-08-28 | Last modified: | 2024-09-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional effects of phosphopriming and scaffolding in the kinase GSK-3 beta. Sci.Signal., 17, 2024
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7ARW
| Structure of human ARH3 E41A bound to alpha-NAD+ and magnesium | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADP-ribose glycohydrolase ARH3, ... | Authors: | Rack, J.G.M, Zorzini, V, Ahel, I. | Deposit date: | 2020-10-26 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Mechanistic insights into the three steps of poly(ADP-ribosylation) reversal. Nat Commun, 12, 2021
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8VMG
| Crystal structure of GSK-3 26-383 bound to Axin 383-435 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Enos, M.D, Gavagan, M, Jameson, N, Zalatan, J.G, Weis, W.I. | Deposit date: | 2024-01-13 | Release date: | 2024-08-28 | Last modified: | 2024-09-25 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural and functional effects of phosphopriming and scaffolding in the kinase GSK-3 beta. Sci.Signal., 17, 2024
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3MEY
| Crystal structure of class II aaRS homologue (Bll0957) complexed with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Bll0957 protein, MAGNESIUM ION, ... | Authors: | Weygand-Durasevic, I, Mocibob, M, Ivic, N, Bilokapic, S, Maier, T, Luic, M, Ban, N. | Deposit date: | 2010-04-01 | Release date: | 2010-07-28 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Homologs of aminoacyl-tRNA synthetases acylate carrier proteins and provide a link between ribosomal and nonribosomal peptide synthesis Proc.Natl.Acad.Sci.USA, 107, 2010
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4GMS
| Crystal structure of heterosubtypic Fab S139/1 in complex with influenza A H3 hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab S139/1 heavy chain, ... | Authors: | Lee, P.S, Ekiert, D.C, Wilson, I.A. | Deposit date: | 2012-08-16 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Heterosubtypic antibody recognition of the influenza virus hemagglutinin receptor binding site enhanced by avidity. Proc.Natl.Acad.Sci.USA, 109, 2012
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7AF3
| Bacterial 30S ribosomal subunit assembly complex state M (head domain) | Descriptor: | 16S rRNA (head), 30S ribosomal protein S10, 30S ribosomal protein S13, ... | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Lopez-Alonso, J, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.R. | Deposit date: | 2020-09-19 | Release date: | 2021-07-07 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit. Sci Adv, 7, 2021
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