7PT5
 
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7PTB
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5NEY
 | | Discovery, crystal structures and atomic force microscopy study of thioether ligated D,L-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, CYS-TRD-TRP-LYD-LYS-LYD-LYS-LYD-TRP-TRD-CYS-ALA, ... | | Authors: | Reymond, J.-L, Darbre, T, Stocker, A, Hong, W, van Delden, C, Koehler, T, Luscher, A, Visini, R, Fu, Y, Di Bonaventura, I, He, R. | | Deposit date: | 2017-03-13 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Design, crystal structure and atomic force microscopy study of thioether ligated d,l-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa.
Chem Sci, 8, 2017
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6PRZ
 | | XFEL beta2 AR structure by ligand exchange from Alprenolol to Alprenolol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, CHOLESTEROL, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
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5NGR
 | | Crystal structure of human MTH1 in complex with fragment inhibitor 8-(methylsulfanyl)-7H-purin-6-amine | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-methylsulfanyl-7~{H}-purin-6-amine, SULFATE ION | | Authors: | Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P. | | Deposit date: | 2017-03-20 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
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7KN5
 | | Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobodies VHH E and U | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | | Deposit date: | 2020-11-04 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
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2IXF
 | | Crystal structure of the ATPase domain of TAP1 with ATP (D645Q, Q678H mutant) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ANTIGEN PEPTIDE TRANSPORTER 1, GLYCEROL, ... | | Authors: | Procko, E, Ferrin-O'Connell, I, Ng, S.-L, Gaudet, R. | | Deposit date: | 2006-07-08 | | Release date: | 2006-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Distinct Structural and Functional Properties of the ATPase Sites in an Asymmetric Abc Transporter.
Mol.Cell, 24, 2001
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5ND9
 | | Hibernating ribosome from Staphylococcus aureus (Rotated state) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Khusainov, I, Vicens, Q, Ayupov, R, Usachev, K, Myasnikov, A, Simonetti, A, Validov, S, Kieffer, B, Yusupova, G, Yusupov, M, Hashem, Y. | | Deposit date: | 2017-03-07 | | Release date: | 2017-06-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structures and dynamics of hibernating ribosomes from Staphylococcus aureus mediated by intermolecular interactions of HPF.
EMBO J., 36, 2017
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5NGS
 | | Crystal structure of human MTH1 in complex with inhibitor 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-amine | | Descriptor: | 6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | | Authors: | Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P. | | Deposit date: | 2017-03-20 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
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7RZ8
 | | Structure of the complex of LBD-TMD part of AMPA receptor GluA2 with auxiliary subunit TARP gamma-5 bound to agonist quisqualate | | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Glutamate receptor 2 | | Authors: | Klykov, O.V, Gangwar, S.P, Yelshanskaya, M.V, Sobolevsky, A.I. | | Deposit date: | 2021-08-27 | | Release date: | 2021-10-27 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure and desensitization of AMPA receptor complexes with type II TARP gamma 5 and GSG1L.
Mol.Cell, 81, 2021
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8AKU
 | | 250 A SynPspA rod after incubation with ATP | | Descriptor: | Chloroplast membrane-associated 30 kD protein | | Authors: | Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C. | | Deposit date: | 2022-07-31 | | Release date: | 2024-02-14 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structural plasticity of bacterial ESCRT-III protein PspA in higher-order assemblies.
Nat.Struct.Mol.Biol., 2024
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8AKY
 | | 290 A SynPspA rod after incubation with ATP | | Descriptor: | Chloroplast membrane-associated 30 kD protein | | Authors: | Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C. | | Deposit date: | 2022-07-31 | | Release date: | 2024-02-14 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Structural plasticity of bacterial ESCRT-III protein PspA in higher-order assemblies.
Nat.Struct.Mol.Biol., 2024
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8AKZ
 | | 320 A SynPspA rod after incubation with ATP | | Descriptor: | Chloroplast membrane-associated 30 kD protein | | Authors: | Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C. | | Deposit date: | 2022-07-31 | | Release date: | 2024-02-14 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Structural plasticity of bacterial ESCRT-III protein PspA in higher-order assemblies.
Nat.Struct.Mol.Biol., 2024
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8AL0
 | | 365 A SynPspA rod after incubation with ATP | | Descriptor: | Chloroplast membrane-associated 30 kD protein | | Authors: | Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C. | | Deposit date: | 2022-07-31 | | Release date: | 2024-02-14 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Structural plasticity of bacterial ESCRT-III protein PspA in higher-order assemblies.
Nat.Struct.Mol.Biol., 2024
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8AKX
 | | 305 A SynPspA rod after incubation with ATP | | Descriptor: | Chloroplast membrane-associated 30 kD protein | | Authors: | Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C. | | Deposit date: | 2022-07-31 | | Release date: | 2024-02-14 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Structural plasticity of bacterial ESCRT-III protein PspA in higher-order assemblies.
Nat.Struct.Mol.Biol., 2024
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8AKV
 | | 270 A SynPspA rod after incubation with ATP | | Descriptor: | Chloroplast membrane-associated 30 kD protein | | Authors: | Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C. | | Deposit date: | 2022-07-31 | | Release date: | 2024-02-14 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural plasticity of bacterial ESCRT-III protein PspA in higher-order assemblies.
Nat.Struct.Mol.Biol., 2024
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8AKW
 | | 280 A SynPspA rod after incubation with ATP | | Descriptor: | Chloroplast membrane-associated 30 kD protein | | Authors: | Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C. | | Deposit date: | 2022-07-31 | | Release date: | 2024-02-14 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (5.4 Å) | | Cite: | Structural plasticity of bacterial ESCRT-III protein PspA in higher-order assemblies.
Nat.Struct.Mol.Biol., 2024
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5NEV
 | | CDK2/Cyclin A in complex with compound 73 | | Descriptor: | 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E.M, Newell, D.R, Turner, D, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Cano, G. | | Deposit date: | 2017-03-12 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
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6P8C
 | | 2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus | | Descriptor: | 2,5-diamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate reductase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Carbone, V, Schofield, L.R, Hannus, I, Sutherland-Smith, A.J, Ronimus, R.S. | | Deposit date: | 2019-06-06 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The Crystal Structure of 2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus
To Be Published
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8EB7
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1CE7
 | | MISTLETOE LECTIN I FROM VISCUM ALBUM | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (RIBOSOME-INACTIVATING PROTEIN TYPE II) | | Authors: | Krauspenhaar, R, Eschenburg, S, Perbandt, M, Kornilov, V, Konareva, N, Mikailova, I, Stoeva, S, Wacker, R, Maier, T, Singh, T.P, Mikhailov, A, Voelter, W, Betzel, C. | | Deposit date: | 1999-03-18 | | Release date: | 2000-03-20 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of mistletoe lectin I from Viscum album.
Biochem.Biophys.Res.Commun., 257, 1999
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7PX8
 | | CryoEM structure of mammalian acylaminoacyl-peptidase | | Descriptor: | Acylamino-acid-releasing enzyme | | Authors: | Kiss-Szeman, A.J, Harmat, V, Menyhard, D.K, Straner, P, Jakli, I, Hosogi, N, Perczel, A. | | Deposit date: | 2021-10-08 | | Release date: | 2022-05-25 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Cryo-EM structure of acylpeptide hydrolase reveals substrate selection by multimerization and a multi-state serine-protease triad.
Chem Sci, 13, 2022
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5NO3
 | | RsgA-GDPNP bound to the 30S ribosomal subunit (RsgA assembly intermediate without uS3) | | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Lopez-Alonso, J.P, Kaminishi, T, Kikuchi, T, Hirata, Y, Iturrioz, I, Dhimole, N, Schedlbauer, A, Hase, Y, Goto, S, Kurita, D, Muto, A, Zhou, S, Naoe, C, Mills, D.J, Gil-Carton, D, Takemoto, C, Himeno, H, Fucini, P, Connell, S.R. | | Deposit date: | 2017-04-10 | | Release date: | 2017-05-31 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (5.16 Å) | | Cite: | RsgA couples the maturation state of the 30S ribosomal decoding center to activation of its GTPase pocket.
Nucleic Acids Res., 45, 2017
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2JDO
 | | STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE | | Descriptor: | 1,2-ETHANEDIOL, GLYCOGEN SYNTHASE KINASE-3 BETA, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE, ... | | Authors: | Davies, T.G, Verdonk, M.L, Graham, B, Saalau-Bethell, S, Hamlett, C.C.F, Mchardy, T, Collins, I, Garrett, M.D, Workman, P, Woodhead, S.J, Jhoti, H, Barford, D. | | Deposit date: | 2007-01-11 | | Release date: | 2007-02-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera
J.Mol.Biol., 367, 2007
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7PLN
 | | Structure of the APCbeta domain of Plasmodium vivax perforin-like protein 1 | | Descriptor: | Sporozoite micronemal protein essential for cell traversal, putative | | Authors: | Williams, S.I, Ni, T, Yu, X, Gilbert, R.J.C. | | Deposit date: | 2021-08-31 | | Release date: | 2022-06-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural, Functional and Computational Studies of Membrane Recognition by Plasmodium Perforin-Like Proteins 1 and 2
J.Mol.Biol., 434, 2022
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