PDB: 46984 resultsInfo pagesStatus searchChemie searchBIRD

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8FHH	Wildtype rabbit TRPV5 in nanodiscs in the presence of oleoyl coenzyme A, Closed stated Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ERGOSTEROL, Transient receptor potential cation channel subfamily V member 5 Authors: De Jesus-Perez, J.J, Moiseenkova-Bell, V.Y. Deposit date: 2022-12-14 Release date: 2023-11-01 Method: ELECTRON MICROSCOPY (3.09 Å) Cite: Structural basis of the activation of TRPV5 channels by long-chain acyl-Coenzyme-A. Nat Commun, 14, 2023
8FTS	SgvM methyltransferase with SAH and alpha-ketoleucine Descriptor: 2-OXO-4-METHYLPENTANOIC ACID, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... Authors: Kuzelka, K, Nair, S.K. Deposit date: 2023-01-13 Release date: 2023-11-01 Method: X-RAY DIFFRACTION (2.2 Å) Cite: A biocatalytic platform for asymmetric alkylation of alpha-keto acids by mining and engineering of methyltransferases Nat Commun, 14, 2023
8FTR	SgvM methyltransferase with MTA and alpha-ketoleucine Descriptor: 2-OXO-4-METHYLPENTANOIC ACID, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methyltransferase, ... Authors: Kuzelka, K, Nair, S.K. Deposit date: 2023-01-13 Release date: 2023-11-01 Method: X-RAY DIFFRACTION (2.13 Å) Cite: A biocatalytic platform for asymmetric alkylation of alpha-keto acids by mining and engineering of methyltransferases. Nat Commun, 14, 2023
8FTV	SgvM methyltransferase triple variant (M144V/F329V/T331A) with SAH and 2-oxo-4-phenylbutanoic acid Descriptor: 2-oxo-4-phenylbutanoic acid, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... Authors: Kuzelka, K, Nair, S.K. Deposit date: 2023-01-13 Release date: 2023-11-01 Method: X-RAY DIFFRACTION (2.04 Å) Cite: A biocatalytic platform for asymmetric alkylation of alpha-keto acids by mining and engineering of methyltransferases Nat Commun, 14, 2023
8FMV	Heterodimeric ABC transporter BmrCD in the inward-facing conformation bound to substrate and ATP: BmrCD_IF-2HT/ATP Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, ADENOSINE-5'-TRIPHOSPHATE, ... Authors: Tang, Q, Mchaourab, H. Deposit date: 2022-12-24 Release date: 2023-11-15 Last modified: 2023-11-22 Method: ELECTRON MICROSCOPY (3.34 Å) Cite: Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter. Nat Commun, 14, 2023
8FHK	Heterodimeric ABC transporter BmrCD in the occluded conformation bound to ATP: BmrCD_OC-ATP Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... Authors: Tang, Q, Mchaourab, H. Deposit date: 2022-12-14 Release date: 2023-11-15 Last modified: 2023-11-22 Method: ELECTRON MICROSCOPY (2.9 Å) Cite: Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter. Nat Commun, 14, 2023
6HZA	X-ray structure of furin in complex with the cyclic peptide c[glutaryl-Arg-Arg-Lys]-Arg-4-Amba Descriptor: ARG-ARG-LYS-ARG-00S, CALCIUM ION, CHLORIDE ION, ... Authors: Dahms, S.O. Deposit date: 2018-10-23 Release date: 2019-02-06 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem, 14, 2019
6NR0	SIRT2(56-356) with covalent intermediate between mechanism-based inhibitor Glucose-TM-1beta and 1'-SH ADP-ribose Descriptor: GLYCEROL, NAD-dependent protein deacetylase sirtuin-2, N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide, ... Authors: Price, I.R, Hong, J. Deposit date: 2019-01-22 Release date: 2020-01-22 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.45 Å) Cite: A Glycoconjugated SIRT2 Inhibitor with Aqueous Solubility Allows Structure-Based Design of SIRT2 Inhibitors. Acs Chem.Biol., 14, 2019
6NOR	Crystal structure of GenD2 from gentamicin A biosynthesis in complex with NAD Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative NAD dependent dehydrogenase Authors: Araujo, N.C, Bury, P.S, Huang, F, Leadlay, P.F, Dias, M.V.B. Deposit date: 2019-01-16 Release date: 2019-05-15 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.402 Å) Cite: Crystal Structure of GenD2, an NAD-Dependent Oxidoreductase Involved in the Biosynthesis of Gentamicin. Acs Chem.Biol., 14, 2019
6NPT	TRK-A IN COMPLEX WITH LIGAND 1 Descriptor: 4-tert-butyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide, High affinity nerve growth factor receptor Authors: Subramanian, G. Deposit date: 2019-01-18 Release date: 2019-05-22 Last modified: 2019-07-10 Method: X-RAY DIFFRACTION (2.19 Å) Cite: Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors. Acs Chem.Biol., 14, 2019
6NMX	Threonine synthase from Bacillus subtilis ATCC 6633 with PLP and APPA Descriptor: (2E,3Z)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid, Threonine synthase Authors: Petronikolou, N, Nair, S.K. Deposit date: 2019-01-12 Release date: 2019-03-13 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.971 Å) Cite: Molecular Basis of Bacillus subtilis ATCC 6633 Self-Resistance to the Phosphono-oligopeptide Antibiotic Rhizocticin. ACS Chem. Biol., 14, 2019
6HLB	X-ray structure of furin in complex with the cyclic peptide c[succinyl-Phe-2-Nal-(Arg)4-Lys]-Arg-4-Amba Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Dahms, S.O. Deposit date: 2018-09-11 Release date: 2019-02-06 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2 Å) Cite: Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem, 14, 2019
6HLE	X-ray structure of furin in complex with the P6-P2-cyclized peptide H-Lys-Arg-Arg-Tle-Lys-4-Amba Descriptor: 3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal, CALCIUM ION, CHLORIDE ION, ... Authors: Dahms, S.O. Deposit date: 2018-09-11 Release date: 2019-02-06 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.994 Å) Cite: Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem, 14, 2019
6H0U	Glycogen synthase kinase-3 beta (GSK3) complex with a covalent [1,2,4]triazolo[1,5-a][1,3,5]triazine inhibitor Descriptor: (2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide, CHLORIDE ION, GLYCEROL, ... Authors: Marcovich, I, Demitri, N, De Zorzi, R, Storici, P. Deposit date: 2018-07-10 Release date: 2019-05-15 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.3 Å) Cite: A Triazolotriazine-Based Dual GSK-3 beta /CK-1 delta Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition. Chemmedchem, 14, 2019
3W02	Crystal structure of PcrB complexed with SO4 from Staphylococcus aureus subsp. aureus Mu3 Descriptor: Heptaprenylglyceryl phosphate synthase, SULFATE ION Authors: Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. Deposit date: 2012-10-17 Release date: 2012-12-26 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.98 Å) Cite: Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus Chembiochem, 14, 2013
8GOU	Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ... Authors: Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. Deposit date: 2022-08-25 Release date: 2023-06-28 Method: ELECTRON MICROSCOPY (3.7 Å) Cite: Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
8GPY	Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv Descriptor: Spike protein S1, scFv Authors: Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y. Deposit date: 2022-08-27 Release date: 2023-06-28 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.51 Å) Cite: Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
6H7E	GEF regulatory domain Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, SULFATE ION, cDNA FLJ56134, ... Authors: Ferrandez, Y, Cherfils, J, Peurois, F. Deposit date: 2018-07-31 Release date: 2020-02-19 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Membranes prime the RapGEF EPAC1 to transduce cAMP signaling. Nat Commun, 14, 2023
6O1T	BOVINE SALIVARY PROTEIN FORM 30B WITH OLEIC ACID Descriptor: CALCIUM ION, OLEIC ACID, Short palate, ... Authors: Zhang, H, Arcus, V.L. Deposit date: 2019-02-21 Release date: 2019-03-13 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The three dimensional structure of Bovine Salivary Protein 30b (BSP30b) and its interaction with specific rumen bacteria. Plos One, 14, 2019
6O2E	GCN4 with asparagine at position 18 Descriptor: General control protein GCN4 Authors: Draper, S.R.E, Xiao, Q, Smith, M, Price, J.L. Deposit date: 2019-02-22 Release date: 2019-06-26 Last modified: 2019-12-18 Method: X-RAY DIFFRACTION (1.896 Å) Cite: Influence of PEGylation on the Strength of Protein Surface Salt Bridges. Acs Chem.Biol., 14, 2019
6O2F	GCN4 with NPEG4 at position 18 Descriptor: General control protein GCN4 Authors: Draper, S.R.E, Xiao, Q, Smith, M, Price, J.L. Deposit date: 2019-02-22 Release date: 2019-06-26 Last modified: 2019-12-18 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Influence of PEGylation on the Strength of Protein Surface Salt Bridges. Acs Chem.Biol., 14, 2019
8GSF	Echovirus3 empty particle in complex with 6D10 Fab (sideling) Descriptor: Heavy chain of 6D10, Light chain of 6D10, VP0, ... Authors: Wang, X, Fu, W. Deposit date: 2022-09-06 Release date: 2022-12-14 Method: ELECTRON MICROSCOPY (3.6 Å) Cite: Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody. Viruses, 14, 2022
8GSD	Echovirus3 full particle in complex with 6D10 Fab Descriptor: Genome polyprotein, Genome polyprotein (Fragment), Heavy chain of 6D10, ... Authors: Wang, X, Fu, W. Deposit date: 2022-09-06 Release date: 2022-12-14 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody. Viruses, 14, 2022
6O3S	NMR solution structure of Luffin P1 Descriptor: Ribosome-inactivating protein luffin P1 Authors: Rosengren, K.J, Payne, C. Deposit date: 2019-02-27 Release date: 2019-04-24 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: An Ancient Peptide Family Buried within Vicilin Precursors. Acs Chem.Biol., 14, 2019
6O3N	Cross-alpha Amyloid-like Structure alphaAmA Descriptor: Cross-alpha Amyloid-like Structure alphaAmA Authors: Zhang, S.-Q, Liu, L, DeGrado, W.F. Deposit date: 2019-02-26 Release date: 2019-03-13 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3.7 Å) Cite: Designed peptides that assemble into cross-alpha amyloid-like structures Nat. Chem. Biol., 14, 2018

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