6WJF
 
 | | PKA RIIbeta holoenzyme with DnaJB1-PKAc fusion in fibrolamellar hepatoceullar carcinoma | | Descriptor: | DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha fusion, cAMP-dependent protein kinase type II-beta regulatory subunit | | Authors: | Lu, T.-W, Aoto, P.C, Weng, J.-H, Nielsen, C, Cash, J.N, Hall, J, Zhang, P, Simon, S.M, Cianfrocco, M.A, Taylor, S.S. | | Deposit date: | 2020-04-13 | | Release date: | 2020-12-02 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (7.5 Å) | | Cite: | Structural analyses of the PKA RII beta holoenzyme containing the oncogenic DnaJB1-PKAc fusion protein reveal protomer asymmetry and fusion-induced allosteric perturbations in fibrolamellar hepatocellular carcinoma.
Plos Biol., 18, 2020
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8FIE
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6X4I
 | | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with 3'-uridinemonophosphate | | Descriptor: | 1,2-ETHANEDIOL, 3'-URIDINEMONOPHOSPHATE, SODIUM ION, ... | | Authors: | Chang, C, Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-05-22 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
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5ABE
 | | Structure of GH84 with ligand | | Descriptor: | 2-[(2S,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, O-GLCNACASE BT_4395 | | Authors: | Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R. | | Deposit date: | 2015-08-05 | | Release date: | 2015-11-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
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6WKP
 | | Crystal structure of RNA-binding domain of nucleocapsid phosphoprotein from SARS CoV-2, monoclinic crystal form | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION | | Authors: | Chang, C, Michalska, K, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-04-16 | | Release date: | 2020-04-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
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5ACF
 | | X-ray Structure of LPMO | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Frandsen, K.E.H, Poulsen, J.N, Tovborg, M, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2015-08-17 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The molecular basis of polysaccharide cleavage by lytic polysaccharide monooxygenases.
Nat. Chem. Biol., 12, 2016
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6BSR
 | | Crystal structure of penicillin-binding protein 4 (PBP4) from Enterococcus faecalis in the benzylpenicillin bound form. | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Moon, T.M, D'Andrea, E.D, Peti, W, Page, R. | | Deposit date: | 2017-12-04 | | Release date: | 2018-10-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
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5AG2
 | | SOD-3 azide complex | | Descriptor: | ACETATE ION, AZIDE ION, MALONATE ION, ... | | Authors: | Hunter, G.J, Trinh, C.H, Bonetta, R, Stewart, E.E, Cabelli, D.E, Hunter, T. | | Deposit date: | 2015-01-27 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The Structure of the Caenorhabditis Elegans Manganese Superoxide Dismutase Mnsod-3-Azide Complex.
Protein Sci., 24, 2015
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6WMM
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6C0U
 | | Crystal structure of cAMP-dependent protein kinase Calpha subunit bound with N46 | | Descriptor: | DIMETHYL SULFOXIDE, N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide, PHOSPHATE ION, ... | | Authors: | Qin, L, Sankaran, B, Kim, C. | | Deposit date: | 2018-01-02 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis for selective inhibition of human PKG I alpha by the balanol-like compound N46.
J. Biol. Chem., 293, 2018
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6WU6
 | | succinate-coenzyme Q reductase | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Lyu, M, Su, C.-C, Morgan, C.E, Yu, E.W. | | Deposit date: | 2020-05-04 | | Release date: | 2021-02-03 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
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6WV3
 | | Human VKOR with warfarin | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, S-WARFARIN, Vitamin K epoxide reductase, ... | | Authors: | Liu, S, Sukumar, N, Li, W. | | Deposit date: | 2020-05-05 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.197 Å) | | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
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5AE6
 | | The structure of Hypocrea jecorina beta-xylosidase Xyl3A (Bxl1) in complex with 4-thioxylobiose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-XYLOSIDASE, ... | | Authors: | Mikkelsen, N.E, Gudmundsson, M, Karkehabadi, S, Hansson, H, Sandgren, M, Larenas, E, Mitchinson, C, Keleman, B, Kaper, T. | | Deposit date: | 2015-08-26 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Th Crystal Structure of a Fungal Glycoside Hydrolase Family 3 Beta-Xylosidase, Xyl3A from Hypocrea Jecorina
To be Published
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5AEG
 | | A bacterial protein structure in glycoside hydrolase family 31. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-fluoro-alpha-L-idopyranose, ALPHA-GLUCOSIDASE YIHQ, ... | | Authors: | Jin, Y, Speciale, G, Davies, G.J, Williams, S.J, Goddard-Borger, E.D. | | Deposit date: | 2015-08-30 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids.
Nat.Chem.Biol., 12, 2016
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6WVI
 | | VKOR-like from Takifugu rubripes | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein | | Authors: | Liu, S, Sukumar, N, Li, W. | | Deposit date: | 2020-05-06 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
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8JZD
 | | Crystal structure of Escherichia coli NarJ in complex with the signal peptide of E. coli NarG | | Descriptor: | Nitrate reductase molybdenum cofactor assembly chaperone NarJ, Respiratory nitrate reductase 1 alpha chain | | Authors: | Song, W.S, Kim, J.H, Namgung, B, Cho, H.Y, Oh, H.B, Yoon, S.I. | | Deposit date: | 2023-07-05 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Complementary hydrophobic interaction of the redox enzyme maturation protein NarJ with the signal peptide of the respiratory nitrate reductase NarG.
Int.J.Biol.Macromol., 262, 2024
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6WW2
 | | Structure of human Frizzled5 by fiducial-assisted cryo-EM | | Descriptor: | Frizzled-5,Soluble cytochrome b562, anti-BRIL Fab Heavy chain, anti-BRIL Fab Light chain, ... | | Authors: | Tsutsumi, N, Jude, K.M, Gati, C, Garcia, K.C. | | Deposit date: | 2020-05-07 | | Release date: | 2020-08-19 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure of human Frizzled5 by fiducial-assisted cryo-EM supports a heterodimeric mechanism of canonical Wnt signaling.
Elife, 9, 2020
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5AJR
 | | Sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with the 1-tetrazole derivative VT-1161 ((R)-2-(2,4-Difluorophenyl)-1, 1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl) pyridin-2-yl)propan-2-ol) | | Descriptor: | (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | Authors: | Wawrzak, Z, Hoekstra, W, I Lepesheva, G. | | Deposit date: | 2015-02-26 | | Release date: | 2015-12-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Clinical Candidate Vt-1161'S Antiparasitic Effect in Vitro, Activity in a Murine Model of Chagas Disease, and Structural Characterization in Complex with the Target Enzyme Cyp51 from Trypanosoma Cruzi.
Antimicrob.Agents Chemother., 60, 2015
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5AK9
 | | THE CRYSTAL STRUCTURE OF I-DMOI Q42AK120M IN COMPLEX WITH ITS TARGET DNA IN THE PRESENCE OF 2MM MN | | Descriptor: | 25MER, 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', 5'-D(*GP*TP*TP*CP*CP*GP*GP*CP*GP*CP*GP)-3, ... | | Authors: | Molina, R, Marcaida, M.J, Redondo, P, Marenchino, M, D'Abramo, M, Montoya, G, Prieto, J. | | Deposit date: | 2015-03-02 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Engineering a Nickase on the Homing Endonuclease I-Dmoi Scaffold.
J.Biol.Chem., 290, 2015
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4RCV
 | | M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase bound to 1-deoxy-L-erythrulose | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 1-deoxy-L-erythrulose, MANGANESE (II) ION, ... | | Authors: | Gulick, A.M, Allen, C.L, Kholodar, S.A, Murkin, A.S. | | Deposit date: | 2014-09-17 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.294 Å) | | Cite: | The role of phosphate in a multistep enzymatic reaction: reactions of the substrate and intermediate in pieces.
J.Am.Chem.Soc., 137, 2015
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5AKM
 | | THE CRYSTAL STRUCTURE OF I-DMOI G20S IN COMPLEX WITH ITS TARGET DNA IN THE PRESENCE OF 2MM MG | | Descriptor: | 5'-D(*CP*CP*GP*GP*CP*AP*AP*GP*GP*CP)-3', 5'-D(*CP*GP*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*AP*CP)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', ... | | Authors: | Molina, R, Marcaida, M.J, Redondo, P, Marenchino, M, D'Abramo, M, Montoya, G, Prieto, J. | | Deposit date: | 2015-03-04 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Engineering a Nickase on the Homing Endonuclease I-Dmoi Scaffold.
J.Biol.Chem., 290, 2015
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8FIC
 | | Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 1) | | Descriptor: | (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, 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 (1.7 Å) | | Cite: | Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5AA2
 | | Crystal structure of MltF from Pseudomonas aeruginosa in complex with NAM-pentapeptide. | | Descriptor: | CHLORIDE ION, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, N-ACETYLGLUCOSAMINE-1,6-ANHYDRO-N-ACETYLMURAMIC ACID L-ALA-D-GLU-M-DAP-D-ALA-D-ALA | | Authors: | Dominguez-Gil, T, Acebron, I, Hermoso, J.A. | | Deposit date: | 2015-07-23 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
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5AA1
 | | Crystal structure of MltF from Pseudomonas aeruginosa in complex with NAG-anhNAM-pentapeptide | | Descriptor: | CHLORIDE ION, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, N-ACETYLGLUCOSAMINE-1,6-ANHYDRO-N-ACETYLMURAMIC ACID L-ALA-D-GLU-M-DAP-D-ALA-D-ALA | | Authors: | Dominguez-Gil, T, Acebron, I, Hermoso, J.A. | | Deposit date: | 2015-07-23 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
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4NL5
 | | Mycobacterium tuberculosis heme-degrading protein MhuD in complex with heme and cyanide | | Descriptor: | ACETATE ION, CYANIDE ION, Heme-degrading monooxygenase HmoB, ... | | Authors: | Morse, R.P, Chao, A, Goulding, C.W. | | Deposit date: | 2013-11-13 | | Release date: | 2014-06-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic and Spectroscopic Insights into Heme Degradation by Mycobacterium tuberculosis MhuD.
Inorg.Chem., 53, 2014
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