8EJB
 
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8FA0
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8F9Z
 | | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-14204, an HIV-1 gp120 antagonist | | Descriptor: | (5M)-N-{(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2022-11-25 | | Release date: | 2023-01-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Antiviral Activity and Crystal Structures of HIV-1 gp120 Antagonists.
Int J Mol Sci, 23, 2022
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6R2S
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8ELG
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8ELH
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6S0V
 | | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, neamine and sulfate | | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, Kanamycin B dioxygenase, NICKEL (II) ION, ... | | Authors: | Mrugala, B, Niedzialkowska, E, Minor, W, Borowski, T. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
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6S0S
 | | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, ribostamycin B and 2-oxoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, Kanamycin B dioxygenase, ... | | Authors: | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
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8FLN
 | | Crystal structure of BTK C481S kinase domain in complex with pirtobrutinib | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... | | Authors: | Cedervall, E.P, Morales, T.H, Allerston, C.K. | | Deposit date: | 2022-12-21 | | Release date: | 2023-03-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.334 Å) | | Cite: | Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor.
Blood, 142, 2023
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8FLL
 | | Crystal structure of BTK kinase domain in complex with pirtobrutinib | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... | | Authors: | Cedervall, E.P, Morales, T.H, Allerston, C.K. | | Deposit date: | 2022-12-21 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor.
Blood, 142, 2023
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8HRD
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant in complex with IMCAS74 Fab and W14 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS74 Fab heavy chain, IMCAS74 Fab light chain, ... | | Authors: | Zhao, R.C, Wu, L.L, Han, P. | | Deposit date: | 2022-12-15 | | Release date: | 2023-12-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7U6B
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7U6A
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7U69
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7U3M
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7U94
 | | SAAV pH 7.4 capsid structure | | Descriptor: | Capsid protein | | Authors: | Mietzsch, M, McKenna, R. | | Deposit date: | 2022-03-10 | | Release date: | 2022-04-13 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity.
J.Virol., 96, 2022
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7U95
 | | SAAV pH 6.0 capsid structure | | Descriptor: | Capsid protein | | Authors: | Mietzsch, M, McKenna, R. | | Deposit date: | 2022-03-10 | | Release date: | 2022-04-13 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity.
J.Virol., 96, 2022
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7U97
 | | SAAV pH 4.0 capsid structure | | Descriptor: | Capsid protein | | Authors: | Mietzsch, M, McKenna, R. | | Deposit date: | 2022-03-10 | | Release date: | 2022-04-13 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity.
J.Virol., 96, 2022
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7U96
 | | SAAV pH 5.5 capsid structure | | Descriptor: | Capsid protein | | Authors: | Mietzsch, M, McKenna, R. | | Deposit date: | 2022-03-10 | | Release date: | 2022-04-13 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.14 Å) | | Cite: | Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity.
J.Virol., 96, 2022
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6FHY
 | | Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside | | Descriptor: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{S},4~{R},6~{R})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Houser, J, Jancarikova, G, Wimmerova, M. | | Deposit date: | 2018-01-16 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Sci Rep, 9, 2019
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6FHX
 | | Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside | | Descriptor: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{R})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, CHLORIDE ION, Lectin PHL, ... | | Authors: | Houser, J, Jancarikova, G, Wimmerova, M. | | Deposit date: | 2018-01-16 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Sci Rep, 9, 2019
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7QBB
 | | Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 18 | | Descriptor: | 3C-like proteinase nsp5, 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione, DIMETHYL SULFOXIDE | | Authors: | Talibov, V.O. | | Deposit date: | 2021-11-18 | | Release date: | 2022-02-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
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6FLU
 | | Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside | | Descriptor: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{S})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, CHLORIDE ION, Photorhabdus asymbitoca lectin PHL, ... | | Authors: | Houser, J, Jancarikova, G, Wimmerova, M. | | Deposit date: | 2018-01-28 | | Release date: | 2019-02-06 | | Last modified: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Sci Rep, 9, 2019
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6FR2
 | | Soluble epoxide hydrolase in complex with LK864 | | Descriptor: | 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | | Authors: | Kramer, J.S, Pogoryelov, D, Krasavin, M, Proschak, E. | | Deposit date: | 2018-02-15 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.262 Å) | | Cite: | Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase.
Bioorg. Chem., 80, 2018
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7QZG
 | | SFX structure of dye-type peroxidase DtpB N245A variant in the ferric state | | Descriptor: | Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S. | | Deposit date: | 2022-01-31 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB.
Acs Catalysis, 12, 2022
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