8DJJ
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8DKZ
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8EJ9
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8HEF
| The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | Authors: | Yan, M, Zhang, H. | Deposit date: | 2022-11-08 | Release date: | 2023-04-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2. Antiviral Res., 213, 2023
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7ZJJ
| CspZ (BbCRASP-2) from Borrelia burgdorferi strain B379 | Descriptor: | CspZ, NITRATE ION | Authors: | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | Deposit date: | 2022-04-11 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism. Proc.Natl.Acad.Sci.USA, 120, 2023
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7ZJM
| Crystal structure of a complex between CspZ from Borrelia burgdorferi strain B408 and human FH SCR domains 6-7 | Descriptor: | Complement factor H, CspZ, DI(HYDROXYETHYL)ETHER, ... | Authors: | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | Deposit date: | 2022-04-11 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism. Proc.Natl.Acad.Sci.USA, 120, 2023
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7ZJK
| CspZ (BbCRASP-2) from Borrelia burgdorferi strain B408 | Descriptor: | CspZ | Authors: | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | Deposit date: | 2022-04-11 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism. Proc.Natl.Acad.Sci.USA, 120, 2023
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7ZFR
| Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide bound in the reverse direction | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DP alpha chain (DPA1*02:01), MHC class II HLA-DP beta chain (DPB1*01:01), ... | Authors: | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | Deposit date: | 2022-04-01 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes. Immunity, 56, 2023
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7XHL
| Complex structure of a Glucose 6-Phosphate Dehydrogenase from Zymomonas mobilis | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Glucose 6-Phosphate Dehydrogenase | Authors: | Meng, D.D, Liu, M.X, Liu, W.D, You, C. | Deposit date: | 2022-04-08 | Release date: | 2023-04-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Coenzyme Engineering of Glucose-6-phosphate Dehydrogenase on a Nicotinamide-Based Biomimic and Its Application as a Glucose Biosensor Acs Catalysis, 13, 2023
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8AHW
| Structure of DCS-resistant variant D322N of alanine racemase from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, Alanine racemase, GLYCEROL | Authors: | de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S. | Deposit date: | 2022-07-22 | Release date: | 2023-04-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis . Acs Bio Med Chem Au, 3, 2023
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8BT6
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8B3A
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8B8H
| Structure of DCS-resistant variant D322N of alanine racemase from M. tuberculosis in complex with DCS | Descriptor: | (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, Alanine racemase, ... | Authors: | de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S. | Deposit date: | 2022-10-04 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis . Acs Bio Med Chem Au, 3, 2023
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8C18
| Solution structure of carotenoid-binding protein AstaPo1 in complex with astaxanthin | Descriptor: | ASTAXANTHIN, Astaxanthin binding fasciclin family protein | Authors: | Kornilov, F.D, Savitskaya, A.G, Slonimskiy, Y.B, Goncharuk, S.A, Sluchanko, N.N, Mineev, K.S. | Deposit date: | 2022-12-20 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structural basis for the ligand promiscuity of the neofunctionalized, carotenoid-binding fasciclin domain protein AstaP. Commun Biol, 6, 2023
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8FE9
| Crystal structure of Ack1 kinase K161Q mutant in complex with the selective inhibitor (R)-9b | Descriptor: | Activated CDC42 kinase 1, N-[(1S)-1-benzyl-2-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carbo | Authors: | Paung, Y, Kan, Y, Seeliger, M.S, Miller, W.T. | Deposit date: | 2022-12-06 | Release date: | 2023-03-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Biochemical Studies of Systemic Lupus Erythematosus-Associated Mutations in Nonreceptor Tyrosine Kinases Ack1 and Brk. Biochemistry, 62, 2023
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7UEH
| Pyruvate kinase from Zymomonas mobilis | Descriptor: | GLYCEROL, PHOSPHATE ION, Pyruvate kinase | Authors: | McFarlane, J.S, Meneely, K.M, Lamb, A.L. | Deposit date: | 2022-03-21 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The 2.4 angstrom structure of Zymomonas mobilis pyruvate kinase: Implications for stability and regulation. Arch.Biochem.Biophys., 744, 2023
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7ZAK
| Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes. Immunity, 56, 2023
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8AR3
| Solution structure of TLR9 transmembrane and cytoplasmic juxtamembrane regions | Descriptor: | Toll-like receptor 9 | Authors: | Kornilov, F.D, Shabalkina, A.V, Goncharuk, M.V, Goncharuk, S.A, Arseniev, A.S, Mineev, K.S. | Deposit date: | 2022-08-15 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | The architecture of transmembrane and cytoplasmic juxtamembrane regions of Toll-like receptors. Nat Commun, 14, 2023
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8AR0
| Solution structure of TLR2 transmembrane and cytoplasmic juxtamembrane regions | Descriptor: | Toll-like receptor 2 | Authors: | Kornilov, F.D, Shabalkina, A.V, Goncharuk, M.V, Goncharuk, S.A, Arseniev, A.S, Mineev, K.S. | Deposit date: | 2022-08-15 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | The architecture of transmembrane and cytoplasmic juxtamembrane regions of Toll-like receptors. Nat Commun, 14, 2023
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8A7O
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8A7T
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8A7P
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8A7Q
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8BXU
| Crystal structure of Odorant Binding Protein 5 from Anopheles gambiae (AgamOBP5) with MPD (2-Methyl-2,4-pentanediol) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-ETHOXYETHANOL, Odorant binding protein, ... | Authors: | Liggri, P.G.V, Tsitsanou, K.E, Zographos, S.E. | Deposit date: | 2022-12-09 | Release date: | 2023-03-22 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The structure of AgamOBP5 in complex with the natural insect repellents Carvacrol and Thymol: Crystallographic, fluorescence and thermodynamic binding studies. Int.J.Biol.Macromol., 237, 2023
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8BXV
| Crystal structure of Odorant Binding Protein 5 from Anopheles gambiae (AgamOBP5) with Thymol | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-METHYL-2-(1-METHYLETHYL)PHENOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Liggri, P.G.V, Tsitsanou, K.E, Zographos, S.E. | Deposit date: | 2022-12-10 | Release date: | 2023-03-22 | Last modified: | 2023-04-12 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The structure of AgamOBP5 in complex with the natural insect repellents Carvacrol and Thymol: Crystallographic, fluorescence and thermodynamic binding studies. Int.J.Biol.Macromol., 237, 2023
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