9BI9
| |
9BI8
| Crystal structure of inhibitor GNE-6893 bound to HPK1 | Descriptor: | (3R,4S)-4-methyloxolan-3-yl [(6P)-8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase kinase 1, ... | Authors: | Kiefer, J.R, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Choo, E.F, Heffron, T.P, Wei, B, Siu, M. | Deposit date: | 2024-04-22 | Release date: | 2024-10-02 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1. Acs Med.Chem.Lett., 15, 2024
|
|
9BHW
| |
9BHT
| Septin Hexameric Complex SEPT2/SEPT6/SEPT7 of Ciona intestinalis by Cryo-EM | Descriptor: | CiSeptin-2, CiSeptin-6, CiSeptin-7, ... | Authors: | Mendonca, D.C, Pereira, H.M, Garratt, R.C. | Deposit date: | 2024-04-22 | Release date: | 2024-07-10 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Structural Insights into Ciona intestinalis Septins: Complexes Suggest a Mechanism for Nucleotide-dependent Interfacial Cross-talk. J.Mol.Biol., 436, 2024
|
|
9BHS
| Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-21 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound To be published
|
|
9BHR
| Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1 | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-21 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound To be published
|
|
9BHN
| |
9BHK
| MerTK in complex with small molecule inhibitor 6-{1-[6-(3-hydroxy-3-methylbutoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl}-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide | Descriptor: | 6-{1-[6-(3-hydroxy-3-methylbutoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl}-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer | Authors: | Jakob, C.G, Gurbani, D, Qiu, W. | Deposit date: | 2024-04-20 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.106 Å) | Cite: | Discovery of Potent Azetidine-Benzoxazole MerTK Inhibitors with In Vivo Target Engagement. J.Med.Chem., 2024
|
|
9BHJ
| |
9BHI
| Crystal structure of the MerTK kinase domain with SA4488 | Descriptor: | (5P)-2-amino-5-(1-methyl-1H-pyrazol-4-yl)-N-{(1R,2S)-2-[(4'-{2-[4-(2-oxoethyl)piperazin-1-yl]propan-2-yl}[1,1'-biphenyl]-4-yl)methoxy]cyclopentyl}pyridine-3-carboxamide, CHLORIDE ION, Mer tyrosine kinase domain | Authors: | Jakob, C.G, Qui, W, Jain, R. | Deposit date: | 2024-04-20 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Discovery of A-910, a Highly Potent and Orally Bioavailable Dual MerTK/Axl-Selective Tyrosine Kinase Inhibitor. J.Med.Chem., 2024
|
|
9BHB
| |
9BHA
| |
9BH9
| |
9BH8
| |
9BH7
| |
9BH6
| |
9BH5
| High-resolution C. elegans 80S ribosome structure - class 1 | Descriptor: | 18S rRNA, 28S rRNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | Authors: | Sehgal, E, Serrao, V.H.B, Arribere, J. | Deposit date: | 2024-04-19 | Release date: | 2024-09-04 | Last modified: | 2024-09-25 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | High-Resolution Reconstruction of a C. elegans Ribosome Sheds Light on Evolutionary Dynamics and Tissue Specificity. Rna, 2024
|
|
9BGR
| X-ray structure of the aminotransferase from Vibrio vulnificus responsible for the biosynthesis of 2,3-diacetamido-4-amino-2,3,4-trideoxy-arabinose in the presence of its external aldimine with 2,3-diacetamido-4-amino-2,3,4-trideoxy-l-arabinose | Descriptor: | (2R,3R,4R,5R)-3,4-diacetamido-5-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methoxy)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Fait, D.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2024-04-19 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Biochemical Investigation of an Aminotransferase Required for the Production of 2,3,4-triacetamido-2,3,4-trideoxy-L-arabinose To Be Published
|
|
9BGP
| X-ray structure of the aminotransferase from Vibrio vulnificus responsible for the biosynthesis of 2,3-diacetamido-4-amino-2,3,4-trideoxy-arabinose in the presence of its internal aldimine | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, aminotransferase | Authors: | Fait, D.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2024-04-19 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Biochemical Investigation of an Aminotransferase Required for the Production of 2,3,4-triacetamido-2,3,4-trideoxy-L-arabinose To Be Published
|
|
9BGO
| |
9BGN
| |
9BGM
| Pseudomonas phage DEV neck and tail (portal, head-to-tail and tail tube proteins) | Descriptor: | gp75 tail tube, gp80 portal protein, gp83 head-to-tail | Authors: | Iglesias, S.M, Hou, C.-F.D, Li, F, Cingolani, G. | Deposit date: | 2024-04-19 | Release date: | 2024-09-04 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Integrative structural analysis of Pseudomonas phage DEV reveals a genome ejection motor. Nat Commun, 15, 2024
|
|
9BGE
| Cryo-EM structure of mAb8-24 bound to 426c.WITO.TM.SOSIP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c.WITO.TM.SOSIP, ... | Authors: | Hurlburt, N.K, Pancera, M. | Deposit date: | 2024-04-18 | Release date: | 2024-09-04 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Short CDRL1 in intermediate VRC01-like mAbs is not sufficient to overcome key glycan barriers on HIV-1 Env. J.Virol., 2024
|
|
9BG1
| Tri-complex of Compound-3, KRAS G12V, and CypA | Descriptor: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-04-18 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Tri-complex of Compound-3, KRAS G12V, and CypA To be published
|
|
9BFY
| Tri-complex of Compound-12, KRAS G12C, and CypA | Descriptor: | (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-04-18 | Release date: | 2024-06-12 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Tri-complex of Compound-12, KRAS G12C, and CypA To be published
|
|