8TUC
 
 | | Unphosphorylated CaMKK2 in complex with CC-8977 | | Descriptor: | (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid, 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | Authors: | Bernard, S.M, Shanmugasundaram, V, D'Agostino, L. | | Deposit date: | 2023-08-16 | | Release date: | 2023-12-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of Small Molecule Inhibitors and Ligand Directed Degraders of Calcium/Calmodulin Dependent Protein Kinase Kinase 1 and 2 (CaMKK1/2).
J.Med.Chem., 66, 2023
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8TUB
 | | HLA B7:02 with HPNGYKSLSTL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J. | | Deposit date: | 2023-08-16 | | Release date: | 2024-03-13 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CD8 + T-cell responses towards conserved influenza B virus epitopes across anatomical sites and age.
Nat Commun, 15, 2024
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8TUA
 | | Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4) | | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein | | Authors: | Cash, J.N, Tesmer, J.J.G. | | Deposit date: | 2023-08-15 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4)
Elife, 2024
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8TU9
 | | Cryo-EM structure of HGSNAT-acetyl-CoA complex at pH 7.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL COENZYME *A, Enhanced green fluorescent protein,Heparan-alpha-glucosaminide N-acetyltransferase,Isoform 2 of Heparan-alpha-glucosaminide N-acetyltransferase | | Authors: | Navratna, V, Kumar, A, Mosalaganti, S. | | Deposit date: | 2023-08-15 | | Release date: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structure of the human heparan-alpha-glucosaminide N-acetyltransferase (HGSNAT)
eLife, 13, 2024
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8TU6
 | | CryoEM structure of PI3Kalpha | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Valverde, R, Shi, H, Holliday, M. | | Deposit date: | 2023-08-15 | | Release date: | 2023-11-15 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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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
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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
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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
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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
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8TU1
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8TU0
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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
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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
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8TTW
 | | Cryo-EM structure of BG505 SOSIP.664 HIV-1 Env trimer in complex with temsavir, 8ANC195, and 10-1074 | | Descriptor: | 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Tolbert, W.D, Pozharski, E, Pazgier, M. | | Deposit date: | 2023-08-15 | | Release date: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
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8TTP
 | | Crystal structure of class C beta-lactamase from Escherichia coli in complex with avibactam | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... | | Authors: | Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2023-08-14 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Crystal structure of class C beta-lactamase from Escherichia coli in complex with avibactam
to be published
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8TTO
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8TTN
 | | PHF1-Phosphomimetic Tau Filaments (Full-length, Cofactor-Free 0N4R Tau S396E, S400E, T403E, S404E) | | Descriptor: | Microtubule-associated protein tau | | Authors: | El Mammeri, N, Dregni, A.J, Duan, P, Hong, M. | | Deposit date: | 2023-08-14 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structures of AT8 and PHF1 phosphomimetic tau: Insights into the posttranslational modification code of tau aggregation.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8TTM
 | | IgG1 Fc Heterodimer combYSelect1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain | | Authors: | Azzam, T, Du, J.J, Sundberg, E.J. | | Deposit date: | 2023-08-14 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Combinatorially restricted computational design of protein-protein interfaces to produce IgG heterodimers.
Sci Adv, 10, 2024
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8TTL
 | | AT8-Phosphomimetic Tau Filaments (Full-length, Cofactor-Free 0N4R Tau S202E, T205E, S208E) | | Descriptor: | Microtubule-associated protein tau | | Authors: | El Mammeri, N, Dregni, A.J, Duan, P, Hong, M. | | Deposit date: | 2023-08-14 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structures of AT8 and PHF1 phosphomimetic tau: Insights into the posttranslational modification code of tau aggregation.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8TTK
 | | Tryptophan-6-halogenase BorH apo structure | | Descriptor: | SULFATE ION, Tryptophan 6-halogenase | | Authors: | Lingkon, K, Bellizzi, J.J. | | Deposit date: | 2023-08-14 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystallographic and thermodynamic evidence of negative cooperativity of flavin and tryptophan binding in the flavin-dependent halogenases AbeH and BorH.
Biorxiv, 2023
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8TTJ
 | | Tryptophan-6-halogenase BorH complexed with 6-chlorotryptophan | | Descriptor: | 6-CHLORO-L-TRYPTOPHAN, SULFATE ION, Tryptophan 6-halogenase | | Authors: | Lingkon, K, Bellizzi, J.J. | | Deposit date: | 2023-08-14 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystallographic and thermodynamic evidence of negative cooperativity of flavin and tryptophan binding in the flavin-dependent halogenases AbeH and BorH.
Biorxiv, 2023
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8TTI
 | | Trp-6-Halogenase BorH complexed with FAD and Trp | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TRYPTOPHAN, ... | | Authors: | Lingkon, K, Bellizzi, J.J. | | Deposit date: | 2023-08-14 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystallographic and thermodynamic evidence of negative cooperativity of flavin and tryptophan binding in the flavin-dependent halogenases AbeH and BorH.
Biorxiv, 2023
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8TTH
 | | NorA single mutant - D307N at pH 7.5 | | Descriptor: | Heavy Chain of FabDA1 Variable Domain, Light Chain of FabDA1 Variable Domain, Quinolone resistance protein NorA | | Authors: | Li, J.P, Li, Y, Koide, A, Kuang, H.H, Torres, V.J, Koide, S, Wang, D.N, Traaseth, N.J. | | Deposit date: | 2023-08-13 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Proton-coupled transport mechanism of the efflux pump NorA.
Nat Commun, 15, 2024
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8TTG
 | | NorA single mutant - E222Q at pH 7.5 | | Descriptor: | FabDA1 CDRH3 loop, Quinolone resistance protein NorA | | Authors: | Li, J.P, Li, Y, Koide, A, Kuang, H.H, Torres, V.J, Koide, S, Wang, D.N, Traaseth, N.J. | | Deposit date: | 2023-08-13 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Proton-coupled transport mechanism of the efflux pump NorA.
Nat Commun, 15, 2024
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8TTF
 | | NorA double mutant - E222QD307N at pH 7.5 | | Descriptor: | Heavy Chain of FabDA1 Variable Domain, Light Chain of FabDA1 Variable Domain, Quinolone resistance protein NorA | | Authors: | Li, J.P, Li, Y, Koide, A, Kuang, H.H, Torres, V.J, Koide, S, Wang, D.N, Traaseth, N.J. | | Deposit date: | 2023-08-13 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.61 Å) | | Cite: | Proton-coupled transport mechanism of the efflux pump NorA.
Nat Commun, 15, 2024
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