8SWX
| BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody Base4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Base4 Heavy Chain, ... | Authors: | Pratap, P.P, Antansijevic, A, Ward, A.B. | Deposit date: | 2023-05-19 | Release date: | 2024-05-22 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Priming antibody responses to the fusion peptide in rhesus macaques. Npj Vaccines, 9, 2024
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6NY9
| Alpha/beta hydrolase domain-containing protein 10 from mouse | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Mycophenolic acid acyl-glucuronide esterase, mitochondrial, ... | Authors: | Cao, Y, Rice, P.A, Dickinson, B.C. | Deposit date: | 2019-02-11 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | ABHD10 is an S-depalmitoylase affecting redox homeostasis through peroxiredoxin-5. Nat.Chem.Biol., 15, 2019
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8YTI
| Crystal Structure of Nucleosome-H1x Linker Histone Assembly (sticky-169a DNA fragment) | Descriptor: | CALCIUM ION, CHLORIDE ION, DNA (169-MER), ... | Authors: | Adhireksan, Z, Qiuye, B, Padavattan, S, Davey, C.A. | Deposit date: | 2024-03-26 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Linker Histones Associate Heterogeneously with Nucleosomes in the Condensed State To Be Published
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1CDK
| CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT (E.C.2.7.1.37) (PROTEIN KINASE A) COMPLEXED WITH PROTEIN KINASE INHIBITOR PEPTIDE FRAGMENT 5-24 (PKI(5-24) ISOELECTRIC VARIANT CA) AND MN2+ ADENYLYL IMIDODIPHOSPHATE (MNAMP-PNP) AT PH 5.6 AND 7C AND 4C | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE, MANGANESE (II) ION, MYRISTIC ACID, ... | Authors: | Bossemeyer, D, Engh, R.A, Kinzel, V, Ponstingl, H, Huber, R. | Deposit date: | 1994-07-04 | Release date: | 1995-10-15 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Phosphotransferase and substrate binding mechanism of the cAMP-dependent protein kinase catalytic subunit from porcine heart as deduced from the 2.0 A structure of the complex with Mn2+ adenylyl imidodiphosphate and inhibitor peptide PKI(5-24). EMBO J., 12, 1993
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4UFF
| Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl- propanamide | Descriptor: | (2R)-2-(benzylsulfonylamino)-N-(2-((4-carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl-propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | Authors: | Ruehmann, E, Heine, A, Klebe, G. | Deposit date: | 2015-03-16 | Release date: | 2016-01-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures. Chemmedchem, 11, 2016
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6G20
| Crystal structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in its functional Meta-F intermediate state. | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, ... | Authors: | Schmidt, A, Sauthof, L, Szczepek, M, Scheerer, P. | Deposit date: | 2018-03-22 | Release date: | 2018-11-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural snapshot of a bacterial phytochrome in its functional intermediate state. Nat Commun, 9, 2018
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4YPB
| Precleavage 70S structure of the P. vulgaris HigB DeltaH92 toxin bound to the AAA codon | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Schureck, M.A, Dunkle, J.A, Maehigashi, T, Dunham, C.M. | Deposit date: | 2015-03-12 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Defining the mRNA recognition signature of a bacterial toxin protein. Proc.Natl.Acad.Sci.USA, 112, 2015
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6TT5
| Crystal structure of DCLRE1C/Artemis | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, Protein artemis, ... | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-12-23 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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6YVG
| Crystal structure of MesI (Lpg2505) from Legionella pneumophila | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, MesI (Lpg2505) | Authors: | Machtens, D.A, Willerding, J.M, Eschenburg, S, Reubold, T.F. | Deposit date: | 2020-04-28 | Release date: | 2020-06-10 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the metaeffector MesI (Lpg2505) from Legionella pneumophila. Biochem.Biophys.Res.Commun., 527, 2020
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8P2Z
| Structure of human SIT1 bound to L-pipecolate (focussed map / refinement) | Descriptor: | (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | Deposit date: | 2023-05-16 | Release date: | 2024-06-12 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2. Nat Commun, 15, 2024
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3NWR
| Crystal structure of a rubisco-like protein from Burkholderia fungorum | Descriptor: | A rubisco-like protein, GLYCEROL, SULFATE ION | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-07-10 | Release date: | 2010-07-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Crystal structure of a rubisco-like protein from Burkholderia fungorum To be Published
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8T2F
| BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody N289 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N289 Heavy Chain, ... | Authors: | Pratap, P.P, Antansijevic, A, Ozorowski, G, Ward, A.B. | Deposit date: | 2023-06-05 | Release date: | 2024-06-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Priming antibody responses to the fusion peptide in rhesus macaques. Npj Vaccines, 9, 2024
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6C0P
| Crystal structure of HIV-1 E138K mutant reverse transcriptase in complex with non-nucleoside inhibitor 25a | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | Deposit date: | 2018-01-01 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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5KU9
| Crystal structure of MCL1 with compound 1 | Descriptor: | (3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION | Authors: | Ferguson, A.D. | Deposit date: | 2016-07-13 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors. ACS Med Chem Lett, 8, 2017
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8QAQ
| Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. Conformation 1 of omphalotin A in apolar solvents. | Descriptor: | TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR | Authors: | Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D. | Deposit date: | 2023-08-23 | Release date: | 2023-12-06 | Last modified: | 2024-01-03 | Method: | SOLUTION NMR | Cite: | Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability. J.Am.Chem.Soc., 145, 2023
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4YW2
| Crystal Structure of Streptococcus pneumoniae NanC, complex 6'SL | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, ... | Authors: | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | Deposit date: | 2015-03-20 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR. J.Biol.Chem., 290, 2015
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5JQH
| Structure of beta2 adrenoceptor bound to carazolol and inactive-state stabilizing nanobody, Nb60 | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, CHOLESTEROL, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Staus, D.P, Strachan, R.T, Manglik, A, Pani, B, Kahsai, A.W, Kim, T.H, Wingler, L.M, Ahn, S, Chatterjee, A, Masoudi, A, Kruse, A.C, Pardon, E, Steyaert, J, Weis, W.I, Prosser, R.S, Kobilka, B.K, Costa, T, Lefkowitz, R.J. | Deposit date: | 2016-05-05 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Allosteric nanobodies reveal the dynamic range and diverse mechanisms of G-protein-coupled receptor activation. Nature, 535, 2016
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4UFE
| Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-butyl)-3-phenyl-propanamide | Descriptor: | (2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | Authors: | Ruehmann, E, Heine, A, Klebe, G. | Deposit date: | 2015-03-16 | Release date: | 2016-01-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.593 Å) | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures. Chemmedchem, 11, 2016
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4UM9
| Crystal structure of alpha V beta 6 with peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Dong, X, Springer, T.A. | Deposit date: | 2014-05-15 | Release date: | 2014-11-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Determinants of Integrin Beta-Subunit Specificity for Latent Tgf-Beta Nat.Struct.Mol.Biol., 21, 2014
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8QAS
| Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. NMR structure of Omphalotin A in methanol / water indoleOut conformation. | Descriptor: | TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR | Authors: | Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D. | Deposit date: | 2023-08-23 | Release date: | 2023-12-06 | Last modified: | 2024-01-03 | Method: | SOLUTION NMR | Cite: | Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability. J.Am.Chem.Soc., 145, 2023
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5OGO
| Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2017-07-13 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide To be published
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6M0R
| 2.7A Yeast Vo state3 | Descriptor: | (6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, PYROPHOSPHATE, ... | Authors: | Roh, S.H, Shekhar, M, Pintilie, G, Chipot, C, Wilkens, S, Singharoy, A, Chiu, W. | Deposit date: | 2020-02-22 | Release date: | 2020-11-04 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM and MD infer water-mediated proton transport and autoinhibition mechanisms of V o complex. Sci Adv, 6, 2020
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6FRG
| Crystal structure of G-1F mutant of Ssp DnaB Mini-Intein variant M86 | Descriptor: | DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, Replicative DNA helicase, ... | Authors: | Popp, M.A, Blankenfeldt, W, Friedel, K, Mootz, H.D. | Deposit date: | 2018-02-15 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.535 Å) | Cite: | A functional interplay between intein and extein sequences in protein splicing compensates for the essential block B histidine. Chem Sci, 10, 2019
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6C63
| Crystal Structure of the Mango-II Fluorescent Aptamer Bound to TO1-Biotin | Descriptor: | 4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium, POTASSIUM ION, RNA (32-MER), ... | Authors: | Trachman, R.J, Ferre-D'Amare, A.R. | Deposit date: | 2018-01-17 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.900028 Å) | Cite: | Crystal Structures of the Mango-II RNA Aptamer Reveal Heterogeneous Fluorophore Binding and Guide Engineering of Variants with Improved Selectivity and Brightness. Biochemistry, 57, 2018
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5JUI
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