9F4F
 
 | | UP1 in complex with Z86417414 | | Descriptor: | 2-fluoranyl-~{N}-(1,3,4-thiadiazol-2-yl)benzamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-27 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8ZB8
 | | Crystal structure of T2R-TTL-DPP21 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Detyrosinated tubulin alpha-1B chain, ... | | Authors: | Wu, C.Y, Chen, J.J. | | Deposit date: | 2024-04-26 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Crystal structure of T2R-TTL-DPP21 complex
To Be Published
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9BJU
 | | Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5 | | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ... | | Authors: | Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A. | | Deposit date: | 2024-04-25 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
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8Z9H
 | | Cryo-EM structure of Thogoto virus polymerase in a transcription elongation-reception conformation | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, Polymerase acidic protein, Polymerase basic protein 2, ... | | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | | Deposit date: | 2024-04-23 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
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8Z9Q
 | | Cryo-EM structure of Thogoto virus polymerase in a replication reception conformation | | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(ATP))-R(P*GP*CP*AP*AP*AP*AP*AP*CP*A)-3'), ... | | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | | Deposit date: | 2024-04-23 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.33 Å) | | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
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8Z9R
 | | Cryo-EM structure of Thogoto virus polymerase in a replication elongation-reception conformation | | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(ATP))-R(P*GP*CP*AP*AP*AP*AP*AP*CP*A)-3'), ... | | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | | Deposit date: | 2024-04-23 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
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8Z8X
 | | Cryo-EM structure of Thogoto virus polymerase in a transcription initiation conformation | | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Polymerase acidic protein, Polymerase basic protein 2, ... | | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | | Deposit date: | 2024-04-22 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
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8Z98
 | | Cryo-EM structure of Thogoto virus polymerase in a transcription reception conformation | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, Polymerase acidic protein, Polymerase basic protein 2, ... | | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | | Deposit date: | 2024-04-22 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.52 Å) | | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
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8Z90
 | | Cryo-EM structure of Thogoto virus polymerase in transcription initiation conformation 2 | | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Polymerase acidic protein, Polymerase basic protein 2, ... | | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | | Deposit date: | 2024-04-22 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
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8Z8N
 | | Cryo-EM structure of Thogoto virus polymerase in transcription pre-initiation conformation 3 | | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*AP*GP*GP*CP*AP*GP*UP*U)-3'), ... | | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | | Deposit date: | 2024-04-22 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
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8Z97
 | | Cryo-EM structure of Thogoto virus polymerase in a transcription elongation conformation | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, Polymerase acidic protein, Polymerase basic protein 2, ... | | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | | Deposit date: | 2024-04-22 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
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8Z8J
 | | Cryo-EM structure of Thogoto virus polymerase in transcription pre-initiation conformation 2 | | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*AP*GP*GP*CP*AP*GP*UP*U)-3'), ... | | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | | Deposit date: | 2024-04-22 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
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8Z85
 | | Cryo-EM structure of Thogoto virus polymerase in transcription pre-initiation conformation 1 | | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*AP*GP*GP*CP*AP*GP*UP*U)-3'), ... | | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | | Deposit date: | 2024-04-21 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
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9F1S
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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
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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
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8Z6G
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8Z50
 | | Crystal structure of the ASF1-H3T-H4 complex | | Descriptor: | Histone H3.1t, Histone H4, Histone chaperone ASF1A | | Authors: | Xu, L. | | Deposit date: | 2024-04-18 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insights into instability of the nucleosome driven by histone variant H3T.
Biochem.Biophys.Res.Commun., 727, 2024
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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
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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: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Tri-complex of Compound-12, KRAS G12C, and CypA
To be published
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9BF0
 | | MID domain of human Argo2 bound to UTP | | Descriptor: | Protein argonaute-2, URIDINE 5'-TRIPHOSPHATE | | Authors: | Harp, J.M, Egli, M. | | Deposit date: | 2024-04-16 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure and Stability of Ago2 MID-Nucleotide Complexes: All-in-One (Drop) His 6 -SUMO Tag Removal, Nucleotide Binding, and Crystal Growth.
Curr Protoc, 4, 2024
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9BF2
 | | MID domain of Ago2 bound to UMP | | Descriptor: | Protein argonaute-2, URIDINE-5'-MONOPHOSPHATE | | Authors: | Harp, J.M, Egli, M. | | Deposit date: | 2024-04-16 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structure and Stability of Ago2 MID-Nucleotide Complexes: All-in-One (Drop) His 6 -SUMO Tag Removal, Nucleotide Binding, and Crystal Growth.
Curr Protoc, 4, 2024
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9BEZ
 | | MID domain of human Argo2 bound to RNA | | Descriptor: | Protein argonaute-2, [(3~{S},4~{R},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate | | Authors: | Harp, J.M, Egli, M. | | Deposit date: | 2024-04-16 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and Stability of Ago2 MID-Nucleotide Complexes: All-in-One (Drop) His 6 -SUMO Tag Removal, Nucleotide Binding, and Crystal Growth.
Curr Protoc, 4, 2024
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9EZJ
 | | Apo human TDO in complex with a bound inhibitor (Cpd-4) | | Descriptor: | Tryptophan 2,3-dioxygenase, alpha-methyl-L-tryptophan, ethyl (9~{R})-2-methoxy-4-oxidanylidene-9-[[(1~{S})-1-phenylethyl]-[(2-propan-2-ylphenyl)carbamoyl]amino]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate | | Authors: | Wicki, M, Mac Sweeney, A. | | Deposit date: | 2024-04-12 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.612 Å) | | Cite: | Discovery and binding mode of small molecule inhibitors of the apo form of human TDO2
To Be Published
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9BDX
 | | NF-kappaB RelA homo-dimer bound to CG-centric kappaB DNA | | Descriptor: | DNA (5'-D(*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*GP*TP*TP*CP*CP*CP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*CP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), Transcription factor p65 | | Authors: | Biswas, T, Shahabi, S, Tsodikov, O.V, Ghosh, G. | | Deposit date: | 2024-04-12 | | Release date: | 2024-04-24 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
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