PDB: 36667 resultsInfo pagesStatus searchChemie searchBIRD

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8PAV	Crystal structure of MST1 with a MAP4K1 SMOL inhibitor Descriptor: 1-[3,5-bis(fluoranyl)-4-[[3-(1,3-thiazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, ... Authors: Friberg, A. Deposit date: 2023-06-08 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405 To Be Published
8JOO	Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate ikarugamycin Descriptor: (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione, Cytochrome P450, FORMIC ACID, ... Authors: Zhang, Y.L, Zhang, L.P, Zhang, C.S. Deposit date: 2023-06-08 Release date: 2023-11-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.25 Å) Cite: A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates. Angew.Chem.Int.Ed.Engl., 62, 2023
8T3W	Structure of Bre1-nucleosome complex - state2 Descriptor: 601 DNA strand 1, 601 DNA strand 2, E3 ubiquitin-protein ligase BRE1, ... Authors: Zhao, F, Hicks, C.W, Wolberger, C. Deposit date: 2023-06-07 Release date: 2023-10-18 Last modified: 2023-11-22 Method: ELECTRON MICROSCOPY (3.25 Å) Cite: Mechanism of histone H2B monoubiquitination by Bre1. Nat.Struct.Mol.Biol., 30, 2023
8T3T	Structure of Bre1-nucleosome complex - state3 Descriptor: 601 DNA strand 1, 601 DNA strand 2, E3 ubiquitin-protein ligase BRE1, ... Authors: Zhao, F, Hicks, C.W, Wolberger, C. Deposit date: 2023-06-07 Release date: 2023-10-18 Last modified: 2023-11-22 Method: ELECTRON MICROSCOPY (3.21 Å) Cite: Mechanism of histone H2B monoubiquitination by Bre1. Nat.Struct.Mol.Biol., 30, 2023
8T3K	Heterodimeric ABC transporter BmrCD in the inward-facing conformation bound to ATP: BmrCD_IF-ATP2 Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, Probable multidrug resistance ABC transporter ATP-binding/permease protein YheH, ... Authors: Tang, Q, Mchaourab, H. Deposit date: 2023-06-07 Release date: 2023-11-29 Method: ELECTRON MICROSCOPY (3.33 Å) Cite: Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter. Nat Commun, 14, 2023
8T3O	Cryo-EM structure of the TUG-891 bound FFA4-Gq complex Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid, Free fatty acid receptor 4, ... Authors: Zhang, X, Tikhonova, I, Milligan, G, Zhang, C. Deposit date: 2023-06-07 Release date: 2024-01-17 Method: ELECTRON MICROSCOPY (3.06 Å) Cite: Structural basis for the ligand recognition and signaling of free fatty acid receptors. Sci Adv, 10, 2024
8T3Q	Cryo-EM structure of the DHA bound FFA4-Gq complex Descriptor: DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... Authors: Zhang, X, Tikhonova, I, Milligan, G, Zhang, C. Deposit date: 2023-06-07 Release date: 2024-01-24 Method: ELECTRON MICROSCOPY (3.14 Å) Cite: Structural basis for the ligand recognition and signaling of free fatty acid receptors. Sci Adv, 10, 2024
8T3S	Cryo-EM structure of the Butyrate bound FFA2-Gq complex Descriptor: CHOLESTEROL, Free fatty acid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... Authors: Zhang, X, Tikhonova, I, Milligan, G, Zhang, C. Deposit date: 2023-06-07 Release date: 2024-01-24 Method: ELECTRON MICROSCOPY (3.07 Å) Cite: Structural basis for the ligand recognition and signaling of free fatty acid receptors. Sci Adv, 10, 2024
8T3V	Cryo-EM structure of the DHA bound FFA1-Gq complex Descriptor: CHOLESTEROL, DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, Free fatty acid receptor 1, ... Authors: Zhang, X, Tikhonova, I, Milligan, G, Zhang, C. Deposit date: 2023-06-07 Release date: 2024-01-24 Method: ELECTRON MICROSCOPY (3.39 Å) Cite: Structural basis for the ligand recognition and signaling of free fatty acid receptors. Sci Adv, 10, 2024
8T3L	TRPV1 in nanodisc bound with 2 LPA molecules in neighboring monomers Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, SODIUM ION, ... Authors: Arnold, W.R, Julius, D, Cheng, Y. Deposit date: 2023-06-07 Release date: 2024-05-08 Last modified: 2024-05-15 Method: ELECTRON MICROSCOPY (3.6 Å) Cite: Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 2024
8T3M	TRPV1 in nanodisc bound with 3 LPA molecules Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... Authors: Arnold, W.R, Julius, D, Cheng, Y. Deposit date: 2023-06-07 Release date: 2024-05-08 Last modified: 2024-05-15 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 2024
8JO4	Cryo-EM structure of a Legionella effector complexed with actin and ATP Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... Authors: Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. Deposit date: 2023-06-07 Release date: 2024-05-01 Last modified: 2024-07-03 Method: ELECTRON MICROSCOPY (3.04 Å) Cite: Legionella effector LnaB is a phosphoryl-AMPylase that impairs phosphosignalling. Nature, 2024
8JO3	Cryo-EM structure of a Legionella effector complexed with actin and AMP Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... Authors: Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. Deposit date: 2023-06-07 Release date: 2024-05-01 Last modified: 2024-07-03 Method: ELECTRON MICROSCOPY (2.66 Å) Cite: Legionella effector LnaB is a phosphoryl-AMPylase that impairs phosphosignalling. Nature, 2024
8JOH	structure of Echinococcus multilocularis Cystatin B Descriptor: Cystatin B Stefin B Authors: Huang, S.Q, Hong, W.B. Deposit date: 2023-06-07 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2.04 Å) Cite: Crystal Structure of Echinococcus multilocularis Cystatin B To Be Published
8T2R	Structure of a group II intron ribonucleoprotein in the pre-ligation (pre-2F) state Descriptor: 5'exon, AMMONIUM ION, CALCIUM ION, ... Authors: Xu, L, Liu, T, Chung, K, Pyle, A.M. Deposit date: 2023-06-06 Release date: 2023-11-22 Last modified: 2024-01-03 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Structural insights into intron catalysis and dynamics during splicing. Nature, 624, 2023
8T2T	Structure of a group II intron ribonucleoprotein in the post-ligation (post-2F) state Descriptor: AMMONIUM ION, Group II intron reverse transcriptase/maturase, MAGNESIUM ION, ... Authors: Xu, L, Liu, T, Chung, K, Pyle, A.M. Deposit date: 2023-06-06 Release date: 2023-11-22 Last modified: 2024-01-03 Method: ELECTRON MICROSCOPY (3 Å) Cite: Structural insights into intron catalysis and dynamics during splicing. Nature, 624, 2023
8T2S	Structure of a group II intron ribonucleoprotein in the pre-branching (pre-1F) state Descriptor: AMMONIUM ION, CALCIUM ION, Group II intron reverse transcriptase/maturase, ... Authors: Xu, L, Liu, T, Chung, K, Pyle, A.M. Deposit date: 2023-06-06 Release date: 2023-11-22 Last modified: 2024-01-03 Method: ELECTRON MICROSCOPY (3 Å) Cite: Structural insights into intron catalysis and dynamics during splicing. Nature, 624, 2023
8T2H	DYRK1A complex with DYR530 Descriptor: (4P)-4-{(3M)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-methyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridin-2-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, GLYCEROL, ... Authors: Montfort, W.R, Basantes, L.E. Deposit date: 2023-06-06 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Discovery of DYR684, a Potent, Selective, Metabolically Stable, DYRK1A/B PROTAC utilizing a Novel Cereblon Molecular Glue To Be Published
8JO2	Structural basis of transcriptional activation by the OmpR/PhoB-family response regulator PmrA Descriptor: DNA (65-MER), DNA-binding transcriptional regulator BasR, DNA-directed RNA polymerase subunit alpha, ... Authors: Lou, Y.-C, Huang, H.-Y, Chen, C, Wu, K.-P. Deposit date: 2023-06-06 Release date: 2023-08-30 Last modified: 2023-10-25 Method: ELECTRON MICROSCOPY (2.74 Å) Cite: Structural basis of transcriptional activation by the OmpR/PhoB-family response regulator PmrA. Nucleic Acids Res., 51, 2023
8JNC	Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-maltophilin Descriptor: (1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone, Cytochrome P450, FORMIC ACID, ... Authors: Zhang, Y.L, Zhang, L.P, Zhang, C.S. Deposit date: 2023-06-06 Release date: 2023-11-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2 Å) Cite: A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates. Angew.Chem.Int.Ed.Engl., 62, 2023
8JNO	Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-deOH-HSAF Descriptor: (1Z,3E,5S,7S,8R,9S,10S,11R,13R,15R,16S,18Z,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-20,27,28-trione, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Zhang, Y.L, Zhang, L.P, Zhang, C.S. Deposit date: 2023-06-06 Release date: 2023-11-22 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2 Å) Cite: A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates. Angew.Chem.Int.Ed.Engl., 62, 2023
8JN8	Crystal structure of c-Src in complex with covalent inhibitor DC-Srci-6668 Descriptor: (2R)-N-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide, Proto-oncogene tyrosine-protein kinase Src Authors: Zhang, H.M, Luo, C. Deposit date: 2023-06-06 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (1.902 Å) Cite: The crystal structure of c-Src in complex with covalent inhibitor DC-Srci-6668 To Be Published
8JN9	Crystal structure of c-Src in complex with covalent inhibitor LW-Srci-8 Descriptor: N-[(1R)-1-[3,5-bis(fluoranyl)phenyl]-2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N-cyclopropyl-prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src Authors: Zhang, H.M, Luo, C. Deposit date: 2023-06-06 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2.724 Å) Cite: The crystal structure of c-Src in complex with covalent inhibitor LW-Srci-8 To Be Published
8P94	Cryo-EM structure of cortactin stabilized Arp2/3-complex nucleated actin branches Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... Authors: Liu, T, Moores, C.A. Deposit date: 2023-06-05 Release date: 2024-01-03 Last modified: 2024-05-29 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Cortactin stabilizes actin branches by bridging activated Arp2/3 to its nucleated actin filament. Nat.Struct.Mol.Biol., 31, 2024
8P9B	Crystal Structure of Mnk2-D228G in complex with Tinodasertib Descriptor: 4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION Authors: Turnbull, A.P, Sabin, V, Bell, C, Watson, M. Deposit date: 2023-06-05 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2.59 Å) Cite: Crystal Structure of Mnk2-D228G in complex with Tinodasertib To Be Published

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