8TWW
| |
8TWV
| ELIC5 with Propylamine in spNW15 nanodiscs with 2:1:1 POPC:POPE:POPG | Descriptor: | 3-AMINOPROPANE, Gamma-aminobutyric-acid receptor subunit beta-1 | Authors: | Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L. | Deposit date: | 2023-08-21 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel. Nat Commun, 15, 2024
|
|
8TWT
| |
8TWQ
| Structure of bacteriophage lambda RexA protein | Descriptor: | CADMIUM ION, Protein rexA, SULFATE ION | Authors: | Adams, M.C, Chappie, J.S, Schiltz, C.J. | Deposit date: | 2023-08-21 | Release date: | 2024-04-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The crystal structure of bacteriophage lambda RexA provides novel insights into the DNA binding properties of Rex-like phage exclusion proteins. Nucleic Acids Res., 52, 2024
|
|
8TWN
| |
8TWJ
| AvrB_R266A bound with UDP | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Avirulence protein B, ... | Authors: | Peng, W, Orth, K. | Deposit date: | 2023-08-21 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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 | Descriptor: | Endolysin Lys2972, GLYCEROL, SODIUM ION | Authors: | Zhu, X, Moineau, S, Shi, R. | Deposit date: | 2023-08-18 | Release date: | 2024-03-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Fermentation Practices Select for Thermostable Endolysins in Phages. Mol.Biol.Evol., 41, 2024
|
|
8TVT
| Structure of human Cysteine desulfurase Nfs1 with L-propargylglycine bound to active site PLP in complex with ISD11, Acp1 and ISCU2 | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, ... | Authors: | Cygler, M, Boniecki, M.T. | Deposit date: | 2023-08-18 | Release date: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | D-Cysteine impairs tumor growth by inhibiting cysteine desulfurase NFS1 To Be Published
|
|
8TVN
| IRAK4 in complex with compound 23 | Descriptor: | 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 | Authors: | Metrick, C.M, Chodaparambil, J.V. | Deposit date: | 2023-08-18 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Metrick, C.M, Chodaparambil, J.V. | Deposit date: | 2023-08-18 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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 | Descriptor: | (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 | Authors: | Wazir, S, Maksimainen, M, Lehtio, L. | Deposit date: | 2023-08-17 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 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 | Descriptor: | (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, ... | Authors: | Wazir, S, Maksimainen, M, Lehtio, L. | Deposit date: | 2023-08-17 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | 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 | Descriptor: | XptA2 | Authors: | Martin, C.L, Aller, S.G. | Deposit date: | 2023-08-17 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Metrick, C.M. | Deposit date: | 2023-08-15 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Metrick, C.M. | Deposit date: | 2023-08-15 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Metrick, C.M. | Deposit date: | 2023-08-15 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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
| The Capsid of Rat Bocavirus | Descriptor: | VP2 | Authors: | Velez, M, Mietzsch, M, McKenna, R. | Deposit date: | 2023-08-15 | Release date: | 2023-08-30 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.52 Å) | Cite: | Structural Characterization of Canine Minute Virus, Rat and Porcine Bocavirus. Viruses, 15, 2023
|
|
8TU1
| |
8TU0
| |
8TTZ
| Crystal structure of monkey TLR7 ectodomain with compound 20 | Descriptor: | (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, ... | Authors: | Critton, D.A. | Deposit date: | 2023-08-15 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | 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 | Descriptor: | 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, ... | Authors: | Critton, D.A. | Deposit date: | 2023-08-15 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology. Acs Med.Chem.Lett., 15, 2024
|
|
8TTU
| Structure of SNX27 FERM complexed with Fam21A repeat 19 (1261 - 1274) | Descriptor: | DI(HYDROXYETHYL)ETHER, Fam21A repeat 19 peptide, GLYCEROL, ... | Authors: | Guo, Q, Chen, K.-E, Collins, B.M. | Deposit date: | 2023-08-15 | Release date: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural basis for coupling of the WASH subunit FAM21 with the endosomal SNX27-Retromer complex. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|