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8EJ7
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BU of 8ej7 by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
Descriptor: 3C-like proteinase nsp5
Authors:Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
Deposit date:2022-09-16
Release date:2023-05-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8FO6
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BU of 8fo6 by Molmil
Nucleotide-free structure of a functional construct of eukaryotic elongation factor 2 kinase.
Descriptor: CALCIUM ION, Calmodulin-1, Eukaryotic elongation factor 2 kinase, ...
Authors:Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R.
Deposit date:2022-12-29
Release date:2023-05-03
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:ADP enhances the allosteric activation of eukaryotic elongation factor 2 kinase by calmodulin.
Proc.Natl.Acad.Sci.USA, 120, 2023
8A96
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BU of 8a96 by Molmil
SARS Cov2 Spike RBD in complex with Fab47
Descriptor: Fab47 Heavy chain (variable domain), Fab47 Light chain (variable domain), Spike protein S1
Authors:Hallberg, B.M, Das, H.
Deposit date:2022-06-27
Release date:2023-05-03
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Immunoglobulin germline gene polymorphisms influence the function of SARS-CoV-2 neutralizing antibodies.
Immunity, 56, 2023
8A94
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BU of 8a94 by Molmil
SARS CoV2 Spike in the 2-up state in complex with Fab47.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab47 (Heavy chain Variable domain), ...
Authors:Hallberg, B.M, Das, H.
Deposit date:2022-06-27
Release date:2023-05-03
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Immunoglobulin germline gene polymorphisms influence the function of SARS-CoV-2 neutralizing antibodies.
Immunity, 56, 2023
8DKZ
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BU of 8dkz by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
Descriptor: 3C-like proteinase nsp5
Authors:Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J.
Deposit date:2022-07-06
Release date:2023-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8DJJ
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BU of 8djj by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
Descriptor: 3C-like proteinase nsp5
Authors:Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J.
Deposit date:2022-06-30
Release date:2023-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8H17
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BU of 8h17 by Molmil
Crystal structure of the Globin domain of Thermosynechococcus elongatus BP-1
Descriptor: IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, Tlr1989 protein
Authors:Mathur, S, Yadav, S.K, Pal, K.R, Kundu, S.
Deposit date:2022-09-30
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A novel single sensor hemoglobin domain from the thermophilic cyanobacteria Thermosynechococcus elongatus BP-1 exhibits higher pH but lower thermal stability compared to globins from mesophilic organisms.
Int.J.Biol.Macromol., 240, 2023
8EJ9
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BU of 8ej9 by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
Descriptor: 3C-like proteinase nsp5
Authors:Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
Deposit date:2022-09-16
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8HEF
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BU of 8hef by Molmil
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
7ZJJ
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BU of 7zjj by Molmil
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
7ZJM
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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
7ZJK
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BU of 7zjk by Molmil
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
7XHL
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BU of 7xhl by Molmil
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
7ZFR
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BU of 7zfr by Molmil
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
8AHW
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BU of 8ahw by Molmil
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
8B3A
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BU of 8b3a by Molmil
catalytic amyloid fibril formed by Ac-LHLHLRL-amide
Descriptor: ACE-LEU-HIS-LEU-HIS-LEU-ARG-LEU-NH2
Authors:Heerde, T, Schmidt, M, Faendrich, M.
Deposit date:2022-09-16
Release date:2023-04-05
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of a catalytic amyloid fibril.
Sci Rep, 13, 2023
8C18
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BU of 8c18 by Molmil
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
8BT6
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BU of 8bt6 by Molmil
Crystal structure of Toxoplasma gondii glideosome-associated connector
Descriptor: ACETATE ION, POTASSIUM ION, Putative anonymous antigen-1
Authors:Hung, Y.F, Kursula, I.
Deposit date:2022-11-27
Release date:2023-04-05
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure of Toxoplasma gondii glideosome-associated connector suggests a role as an elastic element to assist myosin A in generating force for gliding motility
To Be Published
8B8H
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BU of 8b8h by Molmil
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
7ZAK
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BU of 7zak by Molmil
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
7UEH
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BU of 7ueh by Molmil
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
8FE9
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BU of 8fe9 by Molmil
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
8AR3
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BU of 8ar3 by Molmil
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
8AR0
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BU of 8ar0 by Molmil
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
8BXU
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BU of 8bxu by Molmil
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:2023-04-12
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

221716

數據於2024-06-26公開中

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