6U4P
 
 | | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | | Descriptor: | Alpha-hemolysin, SULFATE ION, fos-choline-14 | | Authors: | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | | Deposit date: | 2019-08-26 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
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6KLM
 | | NMR solution structure of Roseltide rT7 | | Descriptor: | Roseltide rT7 | | Authors: | Fan, J.S, Kam, A, Loo, S, Yang, D, Tam, P.J. | | Deposit date: | 2019-07-30 | | Release date: | 2019-11-20 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Roseltide rT7 is a disulfide-rich, anionic, and cell-penetrating peptide that inhibits proteasomal degradation.
J.Biol.Chem., 294, 2019
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5B1Q
 | | Human herpesvirus 6B tegument protein U14 | | Descriptor: | GLYCEROL, U14 protein | | Authors: | Wang, B, Nishimura, M, Tang, H, Kawabata, A, Mahmoud, N.F, Khanlari, Z, Hamada, D, Tsuruta, H, Mori, Y. | | Deposit date: | 2015-12-11 | | Release date: | 2016-04-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of Human Herpesvirus 6B Tegument Protein U14.
Plos Pathog., 12, 2016
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2RHO
 | | Synthetic Gene Encoded Bacillus Subtilis FtsZ NCS Dimer with Bound GDP and GTP-gamma-S | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell Division Protein ftsZ, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Lovell, S, Halloran, Z, Hjerrild, K, Sheridan, D, Burgin, A, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) | | Deposit date: | 2007-10-09 | | Release date: | 2008-10-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Combined protein construct and synthetic gene engineering for heterologous protein expression and crystallization using Gene Composer.
BMC Biotechnol., 9, 2009
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5AQX
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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6JXV
 | | SUMO1 bound to phosphorylated SLS4-SIM peptide from ICP0 | | Descriptor: | Phosphorylated SLS4-SIM from ubiquitin E3 ligase ICP0, Small ubiquitin-related modifier | | Authors: | Hembram, D.S.S, Negi, H, Shet, D, Das, R. | | Deposit date: | 2019-04-25 | | Release date: | 2020-02-05 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Viral SUMO-Targeted Ubiquitin Ligase ICP0 is Phosphorylated and Activated by Host Kinase Chk2.
J.Mol.Biol., 432, 2020
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6JXU
 | | SUMO1 bound to SLS4-SIM peptide from ICP0 | | Descriptor: | Small ubiquitin-related modifier, viral protein | | Authors: | Hembram, D.S.S, Negi, H, Shet, D, Das, R. | | Deposit date: | 2019-04-25 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Viral SUMO-Targeted Ubiquitin Ligase ICP0 is Phosphorylated and Activated by Host Kinase Chk2.
J.Mol.Biol., 432, 2020
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6XPG
 | | Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus by Serial Crystallography | | Descriptor: | Lysophospholipase L1 | | Authors: | Kim, Y, Sherrell, D.A, Owen, R, Axford, D, Ebrahim, A, Johnson, J, Welk, L, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2020-07-08 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus by Serial Crystallography
To Be Published
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5AQL
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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1N3G
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6K8Q
 | | Solution structure of the intermembrane space domain of the mitochondrial import protein Tim21 from S. cerevisiae | | Descriptor: | Mitochondrial import inner membrane translocase subunit TIM21 | | Authors: | Bala, S, Shinya, S, Srivastava, A, Shimada, A, Kobayashi, N, Kojima, C, Tama, F, Miyashita, O, Kohda, D. | | Deposit date: | 2019-06-13 | | Release date: | 2019-09-11 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Crystal contact-free conformation of an intrinsically flexible loop in protein crystal: Tim21 as the case study.
Biochim Biophys Acta Gen Subj, 1864, 2020
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5B59
 | | Hen egg-white lysozyme modified with a keto-ABNO. | | Descriptor: | (2~{S})-2-azanyl-3-[(2~{R},3~{S})-2-oxidanyl-3-[[(1~{S},5~{R})-3-oxidanylidene-9-azabicyclo[3.3.1]nonan-9-yl]oxy]-1,2-dihydroindol-3-yl]propanal, Lysozyme C | | Authors: | Sasaki, D, Seki, Y, Sohma, Y, Oisaki, K, Kanai, M. | | Deposit date: | 2016-04-28 | | Release date: | 2016-09-14 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Transition Metal-Free Tryptophan-Selective Bioconjugation of Proteins
J.Am.Chem.Soc., 138, 2016
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6UG2
 | | C2 symmetric peptide design number 1, Zappy, crystal form 2 | | Descriptor: | C2-1, Zappy, crystal form 2, ... | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-25 | | Release date: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6JXW
 | | Complex of SUMO2 bound SLS4 from ICP0. | | Descriptor: | SLS4-SIM from Ubiquitin E3 ligase ICP0, Small ubiquitin-related modifier 2 | | Authors: | Hembram, D.S.S, Negi, H, Shet, D, Das, R. | | Deposit date: | 2019-04-25 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Viral SUMO-Targeted Ubiquitin Ligase ICP0 is Phosphorylated and Activated by Host Kinase Chk2.
J.Mol.Biol., 432, 2020
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6XV7
 | | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 2 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | | Deposit date: | 2020-01-21 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.668 Å) | | Cite: | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6JXX
 | | SUMO2 bound to phosphorylated SLS4-SIM peptide from ICP0 | | Descriptor: | Phosphorylated SLS4 from E3 ubiquitin ligase ICP0, Small ubiquitin-related modifier 2 | | Authors: | Hembram, D.S.S, Negi, H, Shet, D, Das, R. | | Deposit date: | 2019-04-25 | | Release date: | 2020-02-05 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Viral SUMO-Targeted Ubiquitin Ligase ICP0 is Phosphorylated and Activated by Host Kinase Chk2.
J.Mol.Biol., 432, 2020
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1MXF
 | | Crystal Structure of Inhibitor Complex of Putative Pteridine Reductase 2 (PTR2) from Trypanosoma cruzi | | Descriptor: | METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 2 | | Authors: | Schormann, N, Pal, B, Senkovich, O, Carson, M, Howard, A, Smith, C, Delucas, L, Chattopadhyay, D. | | Deposit date: | 2002-10-02 | | Release date: | 2003-10-14 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of Trypanosoma cruzi pteridine reductase 2 in complex with a substrate and an inhibitor.
J.Struct.Biol., 152, 2005
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6TV0
 | | Serratia spp. cyanase hydratase | | Descriptor: | Cyanate hydratase, GLYCEROL, OXALIC ACID | | Authors: | Pederzoli, R, Tarantino, D, Gourlay, L.J, Chaves-Sanjuan, A, Bolognesi, M. | | Deposit date: | 2020-01-08 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Detecting the nature and solving the crystal structure of a contaminant protein from an opportunistic pathogen.
Acta Crystallogr.,Sect.F, 76, 2020
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5AZ8
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5AQ0
 | | The structure of the Transthyretin-like domain of the first catalytic domain of the HUMAN Carboxypeptidase D | | Descriptor: | CARBOXYPEPTIDASE D, GLYCEROL | | Authors: | Gallego, P, Garcia-Pardo, J, Lorenzo, J, Aviles, F.X, Ventura, S, Reverter, D. | | Deposit date: | 2015-09-18 | | Release date: | 2016-09-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | The Structure of the Ttldomain of the Human Carboxypeptidase D
To be Published
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5BPT
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6XGW
 | | ISCth4 transposase, pre-reaction complex, PRC | | Descriptor: | DNA (32-MER), Mutator family transposase | | Authors: | Kosek, D, Dyda, F. | | Deposit date: | 2020-06-18 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structures of ISCth4 transpososomes reveal the role of asymmetry in copy-out/paste-in DNA transposition.
Embo J., 40, 2021
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5AWT
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6XI0
 | | R. capsulatus cyt bc1 (CIII2) at 3.3A | | Descriptor: | Cytochrome b, Cytochrome c1, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | | Deposit date: | 2020-06-19 | | Release date: | 2020-12-30 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
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6TZD
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