Legacy flatfile-incompatible PDB entries

9FWX	Crystal structure of BRD4 BD1 with MEN1404BS. Descriptor: 3-methyl-~{N}-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, Bromodomain-containing protein 4 Authors: Bader, G, Kessler, D. Deposit date: 2024-07-01 Release date: 2024-08-07 Last modified: 2024-08-21 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups. J.Med.Chem., 67, 2024
9FYF	Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818 Descriptor: Casein kinase II subunit alpha, SULFATE ION, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-4-fluoranyl-2-[(3~{S})-3-(methylamino)piperidin-1-yl]phenyl]propanamide Authors: Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2024-07-03 Release date: 2024-09-11 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818 To Be Published
9G13	VHH H3-2 in complex with Tau C-terminal peptide Descriptor: Isoform Tau-F of Microtubule-associated protein tau, VHH H3-2 Authors: Dupre, E, Landrieu, I, Danis, C, Hanoulle, X, Mortelecque, J. Deposit date: 2024-07-09 Release date: 2024-07-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: VHH H3-2 in complex with Tau C-terminal peptide To Be Published
9G7H	Human Sirt6 in complex with ADP-ribose and the inhibitor 2-Pr Descriptor: 2,4-bis(oxidanylidene)-1-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-3-(propylamino)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propyl]amino]ethyl]pyrimidine-5-carboxamide, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ... Authors: You, W, Steegborn, C. Deposit date: 2024-07-21 Release date: 2024-08-14 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Elucidating the Unconventional Binding Mode of a DNA-Encoded Library Hit Provides a Blueprint for Sirtuin 6 Inhibitor Development. Chemmedchem, 2024
9IIW	A local Cryo-EM structure of Bitter taste receptor TAS2R14 Descriptor: 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, Taste receptor type 2 member 14 Authors: Yuan, Q, Duan, J, Tao, L, Xu, E.H. Deposit date: 2024-06-21 Release date: 2024-07-24 Method: ELECTRON MICROSCOPY (3.15 Å) Cite: Bitter taste receptor TAS2R14 activation and G protein assembly by an intracellular agonist. Cell Res., 2024
9IIX	A Cryo-EM structure of Bitter taste receptor TAS2R14 with Ggust Descriptor: 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... Authors: Yuan, Q, Duan, J, Tao, L, Xu, E.H. Deposit date: 2024-06-21 Release date: 2024-07-24 Method: ELECTRON MICROSCOPY (2.89 Å) Cite: Bitter taste receptor TAS2R14 activation and G protein assembly by an intracellular agonist. Cell Res., 2024
9IJ9	A Cryo-EM structure of Bitter taste receptor TAS2R14 with Gi complex Descriptor: 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... Authors: Yuan, Q, Duan, J, Tao, L, Xu, E.H. Deposit date: 2024-06-21 Release date: 2024-07-24 Method: ELECTRON MICROSCOPY (2.7 Å) Cite: Bitter taste receptor TAS2R14 activation and G protein assembly by an intracellular agonist. Cell Res., 2024
9IJA	A local Cryo-EM structure of Bitter taste receptor TAS2R14 with Gi complex Descriptor: 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Taste receptor type 2 member 14 Authors: Yuan, Q, Duan, J, Tao, L, Xu, E.H. Deposit date: 2024-06-21 Release date: 2024-07-24 Method: ELECTRON MICROSCOPY (3.05 Å) Cite: Bitter taste receptor TAS2R14 activation and G protein assembly by an intracellular agonist. Cell Res., 2024
9IJC	Crystal structure of the beta,kappa-carrageenase Cgbk16A from Wenyingzhuangia fucanilytica Descriptor: GH16 domain-containing protein Authors: Chang, Y, Chen, F. Deposit date: 2024-06-22 Release date: 2024-07-17 Last modified: 2024-07-31 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Structural insights into the substrate recognition and catalytic mechanism of a beta,kappa-carrageenase from Wenyingzhuangia fucanilytica To Be Published
9IK1	Cryo-EM structure of the human P2X3 receptor-compound 26a complex Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[2-cyclopropyl-7-[[(1~{R})-1-naphthalen-2-ylethyl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, ... Authors: Kim, S, Kim, G.R, Kim, Y.O, Han, X, Nagel, J, Kim, J, Song, D.I, Muller, C.E, Yoon, M.H, Jin, M.S, Kim, Y.C. Deposit date: 2024-06-26 Release date: 2024-09-04 Method: ELECTRON MICROSCOPY (2.61 Å) Cite: Discovery of Triazolopyrimidine Derivatives as Selective P2X3 Receptor Antagonists Binding to an Unprecedented Allosteric Site as Evidenced by Cryo-Electron Microscopy. J.Med.Chem., 67, 2024
9IK2	The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H109 Descriptor: 3C-like proteinase, tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Authors: Feng, Y, Zheng, W.Y, Han, P, Fu, L.F, Qi, J.X. Deposit date: 2024-06-26 Release date: 2024-07-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure-guided discovery of a small molecule inhibitor of SARS-CoV-2 main protease with potent in vitro and in vivo antiviral activities To Be Published
9IMP	The complex of PDZ3 and PBM Descriptor: INSC spindle orientation adaptor protein, Partitioning defective 3 homolog Authors: Huang, S.J. Deposit date: 2024-07-04 Release date: 2024-09-11 Method: X-RAY DIFFRACTION (2.87 Å) Cite: mInsc coordinates Par3 and NuMA condensates for assembly of the spindle orientation machinery in asymmetric cell division. Int.J.Biol.Macromol., 2024
9INT	Crystal structure of the complex of the beta,kappa-carrageenase Cgbk16A from Wenyingzhuangia fucanilytica with an oligosaccharide of furcellaran Descriptor: 3,6-anhydro-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-D-galactopyranose-(1-3)-beta-D-galactopyranose, GH16 domain-containing protein Authors: Chang, Y, Chen, F. Deposit date: 2024-07-08 Release date: 2024-07-17 Last modified: 2024-07-31 Method: X-RAY DIFFRACTION (1.56 Å) Cite: Structural insights into the substrate recognition and catalytic mechanism of a beta,kappa-carrageenase from Wenyingzhuangia fucanilytica To Be Published
9INY	Structure of bacteriophage T5 tail tube Descriptor: Tail tube protein pb6 Authors: Peng, Y.N, Liu, H.R. Deposit date: 2024-07-08 Release date: 2024-09-04 Method: ELECTRON MICROSCOPY (3.6 Å) Cite: Structures of Mature and Urea-Treated Empty Bacteriophage T5: Insights into Siphophage Infection and DNA Ejection. Int J Mol Sci, 25, 2024
9IOZ	Structure of the bacteriophage T5 tail tip complex Descriptor: Baseplate hub protein pb3, Baseplate tube protein p140, Distal tail protein pb9 Authors: Peng, Y.N, Liu, H.R. Deposit date: 2024-07-10 Release date: 2024-09-04 Method: ELECTRON MICROSCOPY (3.9 Å) Cite: Structures of Mature and Urea-Treated Empty Bacteriophage T5: Insights into Siphophage Infection and DNA Ejection. Int J Mol Sci, 25, 2024
9J4L	Crystal structure of GH9l Inulin fructotransferases (IFTase) Descriptor: DFA-III-forming inulin fructotransferase Authors: Chen, G, Wang, Z.X, Yang, Y.Q, Li, Y.G, Zhang, T, Ouyang, S.Y, Zhang, L, Chen, Y, Ruan, X.L, Miao, M. Deposit date: 2024-08-09 Release date: 2024-09-04 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Elucidation of the mechanism underlying the sequential catalysis of inulin by fructotransferase. Int.J.Biol.Macromol., 2024

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