PDB: 45853 resultsInfo pagesStatus searchChemie searchBIRD

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6Y08	Mouse thymidylate synthase cocrystallized with dUMP and soaked in sulfamethoxazole Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Sulfamethoxazole, Thymidylate synthase Authors: Maj, P, Jarmula, A, Wilk, P, Weiss, M.S, Rode, W. Deposit date: 2020-02-06 Release date: 2021-02-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.297 Å) Cite: Mouse thymidylate synthase cocrystallized with dUMP and soaked in sulfamethoxazole To Be Published
6YCT	Crystal structure of GcoA F169A_T296S bound to p-vanillin Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Cytochrome P450, ... Authors: Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. Deposit date: 2020-03-19 Release date: 2021-02-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.39 Å) Cite: Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
6QH5	AP2 clathrin adaptor mu2T156-phosphorylated core in closed conformation Descriptor: AP-2 complex subunit alpha, AP-2 complex subunit beta, AP-2 complex subunit mu, ... Authors: Wrobel, A.G, Owen, D.J, McCoy, A.J, Evans, P.R. Deposit date: 2019-01-15 Release date: 2019-09-04 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.56 Å) Cite: Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation. Dev.Cell, 50, 2019
6YCN	Crystal structure of GcoA F169A bound to o-vanillin Descriptor: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... Authors: Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. Deposit date: 2020-03-18 Release date: 2021-02-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
6Y0T	Sarcin Ricin Loop, mutant C2666A U2653G C2667A Descriptor: MAGNESIUM ION, POTASSIUM ION, RNA (27-MER) Authors: Ennifar, E, Westhof, E. Deposit date: 2020-02-10 Release date: 2021-02-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.393 Å) Cite: Sarcin Ricin Loop, mutant C2666A U2653G C2667A To Be Published
8U1C	A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-400 heavy chain, ... Authors: Ferguson, J.A, Oeverdieck, S, Ward, A.B. Deposit date: 2023-08-31 Release date: 2024-03-27 Last modified: 2024-10-23 Method: ELECTRON MICROSCOPY (2.89 Å) Cite: A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface To Be Published
6QJ2	Crystal structure of the C. thermophilum condensin Smc4 ATPase head in complex with the C-terminal domain of Brn1 Descriptor: Condensin complex subunit 2, SULFATE ION, Smc4 Authors: Hassler, M, Haering, C.H. Deposit date: 2019-01-22 Release date: 2019-07-03 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural Basis of an Asymmetric Condensin ATPase Cycle. Mol.Cell, 74, 2019
6N3O	Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents Descriptor: N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide, eIF-2-alpha kinase GCN2 Authors: Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. Deposit date: 2018-11-15 Release date: 2019-10-09 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode. Acs Med.Chem.Lett., 10, 2019
6QL4	Crystal structure of nucleotide-free Mgm1 Descriptor: 1,2-ETHANEDIOL, Putative mitochondrial dynamin protein Authors: Faelber, K, Dietrich, L, Noel, J.K, Wollweber, F, Pfitzner, A.-K, Muehleip, A, Sanchez, R, Kudryashev, M, Chiaruttin, N, Lilie, H, Schlegel, J, Rosenbaum, E, Hessenberger, M, Matthaeus, C, Noe, F, Roux, A, vanderLaan, M, Kuehlbrandt, W, Daumke, O. Deposit date: 2019-01-31 Release date: 2019-07-03 Last modified: 2019-07-31 Method: X-RAY DIFFRACTION (3.6 Å) Cite: Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1. Nature, 571, 2019
7S7V	Crystal structure of iNicSnFR3a Fluorescent Nicotine Sensor Descriptor: iNicSnFR 3.0 Fluorescent Nicotine Sensor Authors: Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C. Deposit date: 2021-09-17 Release date: 2021-10-13 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands. Elife, 11, 2022
8R8D	Cryo-EM structure of coagulation factor beta-XIIa in complex with the garadacimab Fab fragment (symmetric dimer) Descriptor: Coagulation factor XII, Garadacimab heavy chain variable region, Garadacimab light chain variable region, ... Authors: Drulyte, I. Deposit date: 2023-11-29 Release date: 2023-12-13 Last modified: 2024-10-16 Method: ELECTRON MICROSCOPY (2.6 Å) Cite: Structural basis for the inhibition of beta FXIIa by garadacimab. Structure, 32, 2024
8FIB	Crystal Structure of Erwinia tracheiphila CYP114 Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE Authors: Stewart Jr, C.E, Nagel, R. Deposit date: 2022-12-16 Release date: 2023-07-05 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis. Proc.Natl.Acad.Sci.USA, 120, 2023
7BBD	Crystal structure of monoubiquitinated TRIM21 RING (Ub-RING) In complex with ubiquitin charged Ube2N (Ube2N~Ub) and Ube2V2 Descriptor: Polyubiquitin-B,E3 ubiquitin-protein ligase TRIM21, Polyubiquitin-C, Ubiquitin-conjugating enzyme E2 N, ... Authors: Kiss, L, Neuhaus, D, James, L.C. Deposit date: 2020-12-17 Release date: 2021-01-27 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.2 Å) Cite: RING domains act as both substrate and enzyme in a catalytic arrangement to drive self-anchored ubiquitination. Nat Commun, 12, 2021
8FIE	Crystal Structure of Erwinia tracheiphila CYP114 mutant - A261D Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE Authors: Stewart Jr, C.E, Alexander, L.E, Nagel, R. Deposit date: 2022-12-16 Release date: 2023-07-05 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.26 Å) Cite: Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis. Proc.Natl.Acad.Sci.USA, 120, 2023
7RZM	Crystal Structure of dnaN DNA polymerase III beta subunit from Stenotrophomonas maltophilia K279a Descriptor: DNA polymerase III subunit beta Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2021-08-27 Release date: 2021-10-20 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Crystal Structure of dnaN DNA polymerase III beta subunit from Stenotrophomonas maltophilia K279a To Be Published
6YE9	Small-molecule inhibitor of 14-3-3 protein-protein interactions Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid Authors: Ottmann, C, Visser, E.J. Deposit date: 2020-03-24 Release date: 2021-03-31 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure-based conversion of a promiscuous inhibitor to a selective stabilizer of protein-protein interactions To Be Published
6Y8P	Crystal structure of SNAP-tag labeled with a benzyl-tetramethylrhodamine fluorophore Descriptor: 1,2-ETHANEDIOL, O6-alkylguanine-DNA alkyltransferase mutant, ZINC ION, ... Authors: Gotthard, G, Tanzer, T, Johnsson, K, Hiblot, J. Deposit date: 2020-03-05 Release date: 2021-03-31 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag. Biochemistry, 60, 2021
7BWL	Structure of antibiotic sequester from Pseudomonas aerurinosa Descriptor: UPF0312 protein PA0423, Ubiquinone-8 Authors: Hong, M. Deposit date: 2020-04-14 Release date: 2020-12-02 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Crystal structure of the Pseudomonas aeruginosa PA0423 protein and its functional implication in antibiotic sequestration. Biochem.Biophys.Res.Commun., 528, 2020
6OC7	HMP42 Fab in complex with Protein G Descriptor: Heavy chain of HMP42 Fab, Immunoglobulin G-binding protein G, Light chain for HMP42 Fab Authors: Bernard, S.M, Wilson, I.A. Deposit date: 2019-03-22 Release date: 2020-02-05 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.296 Å) Cite: A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses. Science, 366, 2019
8G21	Reelin C-Terminal Region Descriptor: Reelin Authors: Chandrahas, A.S, Marino, C, Arboleda-Velasquez, J.F. Deposit date: 2023-02-03 Release date: 2023-05-31 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Resilience to autosomal dominant Alzheimer's disease in a Reelin-COLBOS heterozygous man. Nat Med, 29, 2023
6OFR	The crystal structure of the outer membrane transporter YddB from Escherichia coli Descriptor: GLYCEROL, MAGNESIUM ION, TonB-dependent outer membrane receptor, ... Authors: Grinter, R. Deposit date: 2019-04-01 Release date: 2019-10-02 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Protease-associated import systems are widespread in Gram-negative bacteria. Plos Genet., 15, 2019
6OI8	Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with 7-((1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-chloro-6-(pyridin-3-yl)phenyl)pyrido[2,3-d]pyrimidin-2-amine Descriptor: 1,2-ETHANEDIOL, 7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine, Biotin carboxylase Authors: Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F. Deposit date: 2019-04-09 Release date: 2019-07-31 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase. J.Med.Chem., 62, 2019
6XRL	Crystal structure of human PI3K-gamma in complex with inhibitor IPI-549 Descriptor: 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION Authors: Walker, N.P, Jeffrey, J.L. Deposit date: 2020-07-13 Release date: 2020-09-16 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.99 Å) Cite: Discovery of Potent and Selective PI3K gamma Inhibitors. J.Med.Chem., 63, 2020
6NOZ	X-ray structure of PEDV papain-like protease 2 Descriptor: GLYCEROL, Polyprotein, ZINC ION Authors: Clasman, J.C, Mesecar, A.D, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2019-01-16 Release date: 2020-01-22 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Evaluating ubiquitin specificity of papain-like protease 2 from alphacoronaviruses FIPV and PEDV using structure-guided engineering To Be Published
7BVY	Crystal structure of MreB 5 of Spiroplasma citri bound to AMPPNP Descriptor: Cell shape determining protein MreB, MAGNESIUM ION, PHOSPHATE ION, ... Authors: Pande, V, Gayathri, P. Deposit date: 2020-04-12 Release date: 2020-10-14 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.5 Å) Cite: MreB5 Is a Determinant of Rod-to-Helical Transition in the Cell-Wall-less Bacterium Spiroplasma. Curr.Biol., 30, 2020

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