8TWV
 
 | | ELIC5 with Propylamine in spNW15 nanodiscs with 2:1:1 POPC:POPE:POPG | | 分子名称: | 3-AMINOPROPANE, Gamma-aminobutyric-acid receptor subunit beta-1 | | 著者 | Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L. | | 登録日 | 2023-08-21 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
|
|
8TWQ
 | |
8TWJ
 | | AvrB_R266A bound with UDP | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Avirulence protein B, ... | | 著者 | Peng, W, Orth, K. | | 登録日 | 2023-08-21 | | 公開日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Pseudomonas effector AvrB is a glycosyltransferase that rhamnosylates plant guardee protein RIN4.
Sci Adv, 10, 2024
|
|
8TWG
 | |
8TWF
 | |
8TW3
 | |
8TW1
 | | Crystal structure of Lys2972, a phage endolysin targeting Streptococcus thermophilus | | 分子名称: | Endolysin Lys2972, GLYCEROL, SODIUM ION | | 著者 | Zhu, X, Moineau, S, Shi, R. | | 登録日 | 2023-08-18 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Fermentation Practices Select for Thermostable Endolysins in Phages.
Mol.Biol.Evol., 41, 2024
|
|
8TVN
 | | IRAK4 in complex with compound 23 | | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-{1-[(1R,2S)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide | | 著者 | Metrick, C.M, Chodaparambil, J.V. | | 登録日 | 2023-08-18 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | A Tiny Pocket Packs a Punch: Leveraging Pyridones for the Discovery of CNS-Penetrant Aza-indazole IRAK4 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
|
|
8TVM
 | | IRAK4 in complex with compound 24 | | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide | | 著者 | Metrick, C.M, Chodaparambil, J.V. | | 登録日 | 2023-08-18 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Tiny Pocket Packs a Punch: Leveraging Pyridones for the Discovery of CNS-Penetrant Aza-indazole IRAK4 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
|
|
8TV7
 | | SARS-CoV-2 Mac1 in complex with MDOLL-0229 | | 分子名称: | (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, GLYCEROL, Papain-like protease nsp3 | | 著者 | Wazir, S, Maksimainen, M, Lehtio, L. | | 登録日 | 2023-08-17 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target.
J.Med.Chem., 67, 2024
|
|
8TV6
 | | SARS-CoV-2 Mac1 in complex with MDOLL-0169 | | 分子名称: | (1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Wazir, S, Maksimainen, M, Lehtio, L. | | 登録日 | 2023-08-17 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target.
J.Med.Chem., 67, 2024
|
|
8TV0
 | | XptA2 wild type | | 分子名称: | XptA2 | | 著者 | Martin, C.L, Aller, S.G. | | 登録日 | 2023-08-17 | | 公開日 | 2023-09-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structures of the Insecticidal Toxin Complex Subunit XptA2 Highlight Roles for Flexible Domains.
Int J Mol Sci, 24, 2023
|
|
8TU5
 | | Bruton's tyrosine kinase in complex with covalent inhibitor compound 27 | | 分子名称: | 1-[(1S,5S,6S)-6-methyl-6-{[(6M,8R)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M. | | 登録日 | 2023-08-15 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
|
|
8TU4
 | | Bruton's tyrosine kinase in complex with covalent inhibitor compound 25 | | 分子名称: | N-methyl-N-[(1S,3r)-3-methyl-3-{[(6M,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M. | | 登録日 | 2023-08-15 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
|
|
8TU3
 | | Bruton's tyrosine kinase in complex with covalent inhibitor compound 10 | | 分子名称: | 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M. | | 登録日 | 2023-08-15 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
|
|
8TU2
 | |
8TU1
 | |
8TU0
 | |
8TTZ
 | | Crystal structure of monkey TLR7 ectodomain with compound 20 | | 分子名称: | (3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Critton, D.A. | | 登録日 | 2023-08-15 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | | 主引用文献 | Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
|
|
8TTY
 | | Crystal structure of monkey TLR7 ectodomain with compound 5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine, ... | | 著者 | Critton, D.A. | | 登録日 | 2023-08-15 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | | 主引用文献 | Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
|
|
8TTP
 | | Crystal structure of class C beta-lactamase from Escherichia coli in complex with avibactam | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... | | 著者 | Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | 登録日 | 2023-08-14 | | 公開日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Crystal structure of class C beta-lactamase from Escherichia coli in complex with avibactam
to be published
|
|
8TTN
 | | PHF1-Phosphomimetic Tau Filaments (Full-length, Cofactor-Free 0N4R Tau S396E, S400E, T403E, S404E) | | 分子名称: | Microtubule-associated protein tau | | 著者 | El Mammeri, N, Dregni, A.J, Duan, P, Hong, M. | | 登録日 | 2023-08-14 | | 公開日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | | 主引用文献 | Structures of AT8 and PHF1 phosphomimetic tau: Insights into the posttranslational modification code of tau aggregation.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8TTL
 | | AT8-Phosphomimetic Tau Filaments (Full-length, Cofactor-Free 0N4R Tau S202E, T205E, S208E) | | 分子名称: | Microtubule-associated protein tau | | 著者 | El Mammeri, N, Dregni, A.J, Duan, P, Hong, M. | | 登録日 | 2023-08-14 | | 公開日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Structures of AT8 and PHF1 phosphomimetic tau: Insights into the posttranslational modification code of tau aggregation.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8TSV
 | |
8TS5
 | | Structure of the apo FabS1C_C1 | | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | 著者 | Singer, A.U, Bruce, H.A, Blazer, L.L, Adams, J.J, Sicheri, F, Sidhu, S.S. | | 登録日 | 2023-08-10 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
|
|
