2QI0
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2RCF
| Carboxysome Shell protein, OrfA from H. Neapolitanus | Descriptor: | CHLORIDE ION, GLYCEROL, Unidentified carboxysome polypeptide | Authors: | Kerfeld, C.A, Sawaya, M.R, Yeates, T.O. | Deposit date: | 2007-09-19 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Atomic-level models of the bacterial carboxysome shell. Science, 319, 2008
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2R9M
| Cathepsin S complexed with Compound 15 | Descriptor: | Cathepsin S, N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | Deposit date: | 2007-09-13 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation To be Published
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3LRE
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3LET
| Crystal Structure of Fic domain containing AMPylator, VopS | Descriptor: | Adenosine monophosphate-protein transferase vopS | Authors: | Luong, P.H, Kinch, L.N, Brautigam, C.A, Grishin, N.V, Tomchick, D.R, Orth, K. | Deposit date: | 2010-01-15 | Release date: | 2010-04-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Structural and Kinetic Analysis of VopS with Fic Domain Supports a Direct Transfer Mechanism for AMPylation To be Published
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6WPE
| HUMAN IDO1 IN COMPLEX WITH COMPOUND 4 | Descriptor: | 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A. | Deposit date: | 2020-04-27 | Release date: | 2021-03-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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5F8K
| Crystal structure of the Bac7(1-16) antimicrobial peptide bound to the Thermus thermophilus 70S ribosome | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A. | Deposit date: | 2015-12-09 | Release date: | 2016-02-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome. Nucleic Acids Res., 44, 2016
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5FCX
| Structure of Anabaena (Nostoc) sp. PCC 7120 Red Carotenoid Protein binding canthaxanthin | Descriptor: | Red carotenoid protein (RCP), beta,beta-carotene-4,4'-dione | Authors: | Sutter, M, Leverenz, R.L, Kerfeld, C.A. | Deposit date: | 2015-12-15 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.206 Å) | Cite: | Structure, Diversity, and Evolution of a New Family of Soluble Carotenoid-Binding Proteins in Cyanobacteria. Mol Plant, 9, 2016
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5FT2
| Sub-tomogram averaging of Lassa virus glycoprotein spike from virus- like particles at pH 5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PRE-GLYCOPROTEIN POLYPROTEIN GP COMPLEX | Authors: | Li, S, Zhaoyang, S, Pryce, R, Parsy, M.L, Fehling, S.K, Schlie, K, Siebert, C.A, Garten, W, Bowden, T.A, Strecker, T, Huiskonen, J.T. | Deposit date: | 2016-01-09 | Release date: | 2016-03-02 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (16.4 Å) | Cite: | Acidic Ph-Induced Conformations and Lamp1 Binding of the Lassa Virus Glycoprotein Spike. Plos Pathog., 12, 2016
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5FDU
| Crystal structure of the Metalnikowin I antimicrobial peptide bound to the Thermus thermophilus 70S ribosome | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A. | Deposit date: | 2015-12-16 | Release date: | 2016-01-27 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome. Nucleic Acids Res., 44, 2016
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5FET
| Crystal Structure of PVX_084705 in presence of Compound 2 | Descriptor: | 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine, cGMP-dependent protein kinase, putative | Authors: | Wernimont, A.K, Tempel, W, Walker, J.R, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-17 | Release date: | 2016-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Crystal Structure of PVX_084705 in presence of Compound 2 To be published
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5F83
| Imipenem complex of the GES-5 C69G mutant | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2015-12-09 | Release date: | 2016-09-07 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Role of the Conserved Disulfide Bridge in Class A Carbapenemases. J.Biol.Chem., 291, 2016
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5FFL
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5F82
| Apo GES-5 C69G mutant | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2015-12-08 | Release date: | 2016-09-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Role of the Conserved Disulfide Bridge in Class A Carbapenemases. J.Biol.Chem., 291, 2016
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8FAJ
| OXA-48-NA-1-157 inhibitor complex | Descriptor: | (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ... | Authors: | Smith, C.A, Stewart, N.K, Toth, M, Vakulenko, S.B. | Deposit date: | 2022-11-28 | Release date: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Exhibits Potent Activity against Klebsiella spp. Isolates Producing OXA-48-Type Carbapenemases. Acs Infect Dis., 9, 2023
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8F7M
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8FIR
| Crystal structure of TpPta, a phosphotransacetylase from Treponema pallidum | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Phosphate acetyltransferase | Authors: | Brautigam, C.A, Norgard, M.V, Deka, R.K. | Deposit date: | 2022-12-16 | Release date: | 2023-05-31 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Biophysical and biochemical studies support TP0094 as a phosphotransacetylase in an acetogenic energy-conservation pathway in Treponema pallidum. Plos One, 18, 2023
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8FL5
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8GJN
| 17B10 fab in complex with up-RBD of SARS-CoV-2 Spike G614 trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 17B10 Fab, Light chain of 17B10 Fab, ... | Authors: | Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H. | Deposit date: | 2023-03-16 | Release date: | 2023-04-05 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2. J Med Virol, 95, 2023
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8GJM
| 17b10 fab in complex with full-length SARS-CoV-2 Spike G614 trimer | 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: | Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H. | Deposit date: | 2023-03-16 | Release date: | 2023-04-05 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2. J Med Virol, 95, 2023
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8G8W
| Molecular mechanism of nucleotide inhibition of human uncoupling protein 1 | Descriptor: | CARDIOLIPIN, GUANOSINE-5'-TRIPHOSPHATE, Mitochondrial brown fat uncoupling protein 1, ... | Authors: | Gogoi, P, Jones, S.A, Ruprecht, J.J, King, M.S, Lee, Y, Zogg, T, Pardon, E, Chand, D, Steimle, S, Copeman, D, Cotrim, C.A, Steyaert, J, Crichton, P.G, Moiseenkova-Bell, V, Kunji, E.R.S. | Deposit date: | 2023-02-20 | Release date: | 2023-06-07 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis of purine nucleotide inhibition of human uncoupling protein 1. Sci Adv, 9, 2023
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8FTG
| Biophysical and Structural Characterization of an Anti-Caffeine VHH Antibody | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-Caffeine VHH Antibody, CAFFEINE, ... | Authors: | Horn, J.R, Smith, C.A, Sonneson, G.J, Walter, R. | Deposit date: | 2023-01-12 | Release date: | 2023-06-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Molecular recognition requires dimerization of a VHH antibody. Mabs, 15, 2023
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8GAE
| Hsp90 provides platform for CRaf dephosphorylation by PP5 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, ... | Authors: | Jaime-Garza, M, Nowotny, C.A, Coutandin, D, Wang, F, Tabios, M, Agard, D.A. | Deposit date: | 2023-02-22 | Release date: | 2023-04-26 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Hsp90 provides a platform for kinase dephosphorylation by PP5. Nat Commun, 14, 2023
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8GFT
| Hsp90 provides platform for CRaf dephosphorylation by PP5 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, ... | Authors: | Jaime-Garza, M, Nowotny, C.A, Coutandin, D, Wang, F, Tabios, M, Agard, D.A. | Deposit date: | 2023-03-08 | Release date: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Hsp90 provides a platform for kinase dephosphorylation by PP5. Nat Commun, 14, 2023
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6QUS
| HsCKK (human CAMSAP1) decorated 13pf taxol-GDP microtubule | Descriptor: | Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A. | Deposit date: | 2019-02-28 | Release date: | 2019-11-27 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural determinants of microtubule minus end preference in CAMSAP CKK domains. Nat Commun, 10, 2019
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