7ZEJ
 
 | | Crystal structure of the human MGC45594 gene product in complex with celecoxib. | | Descriptor: | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 3 | | Authors: | Shafqat, N, Yue, W.W, Koekemoer, L, Niesen, F, Ugochukwu, E, Vollmar, M, Weigelt, J, Krojer, T, Pike, A, Chaikaud, A, Von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Opperman, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-03-31 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Human prostaglandin/alkenal reductases: substrate specificities, inhibitor profiles, structural insights and subcellular localization suggest protective roles in inflammatory and oxidative stress conditions.
To Be Published
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7YWF
 | | Monocot chimeric jacalin JAC1 from Oryza sativa: dirigent domain with bound galactobiose | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dirigent protein, ... | | Authors: | Huwa, N, Classen, T, Weiergraeber, O.H. | | Deposit date: | 2022-02-13 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Crystal Structure of the Defense Conferring Rice Protein Os JAC1 Reveals a Carbohydrate Binding Site on the Dirigent-like Domain.
Biomolecules, 12, 2022
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7YWE
 | | Monocot chimeric jacalin JAC1 from Oryza sativa: dirigent domain (crystal form 2) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Dirigent protein, PHOSPHATE ION | | Authors: | Huwa, N, Classen, T, Weiergraeber, O.H. | | Deposit date: | 2022-02-13 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The Crystal Structure of the Defense Conferring Rice Protein Os JAC1 Reveals a Carbohydrate Binding Site on the Dirigent-like Domain.
Biomolecules, 12, 2022
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7YWW
 | | Monocot chimeric jacalin JAC1 from Oryza sativa: lectin domain (crystal form 2) | | Descriptor: | Dirigent protein, GLYCEROL, IODIDE ION, ... | | Authors: | Huwa, N, Classen, T, Weiergraeber, O.H. | | Deposit date: | 2022-02-14 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Crystal Structure of the Defense Conferring Rice Protein Os JAC1 Reveals a Carbohydrate Binding Site on the Dirigent-like Domain.
Biomolecules, 12, 2022
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7YWG
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7Z2I
 | | TRYPSIN (BOVINE) COMPLEXED WITH compound 4 | | Descriptor: | 5-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schiering, N, Dalvit, C, Vulpetti, A. | | Deposit date: | 2022-02-27 | | Release date: | 2022-05-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Efficient Screening of Target-Specific Selected Compounds in Mixtures by 19 F NMR Binding Assay with Predicted 19 F NMR Chemical Shifts.
Chemmedchem, 17, 2022
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7ZDQ
 | | Cryo-EM structure of Human ACE2 bound to a high-affinity SARS CoV-2 mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1 | | Authors: | Bate, N, Savva, C.G, Moody, P.C.E, Brown, E.A, Schwabe, W.R, Brindle, N.P.J, Ball, J.K, Sale, J.E. | | Deposit date: | 2022-03-29 | | Release date: | 2022-05-18 | | Last modified: | 2022-08-10 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | In vitro evolution predicts emerging SARS-CoV-2 mutations with high affinity for ACE2 and cross-species binding.
Plos Pathog., 18, 2022
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7Z25
 | | TRYPSIN (BOVINE) COMPLEXED WITH compound 12 | | Descriptor: | 2-(5-bromanyl-7-fluoranyl-2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schiering, N, Dalvit, C, Vulpetti, A. | | Deposit date: | 2022-02-25 | | Release date: | 2022-05-25 | | Last modified: | 2022-07-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Efficient Screening of Target-Specific Selected Compounds in Mixtures by 19 F NMR Binding Assay with Predicted 19 F NMR Chemical Shifts.
Chemmedchem, 17, 2022
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7YL9
 | | Cryo-EM structure of complete transmembrane channel E289A mutant Vibrio cholerae Cytolysin | | Descriptor: | Hemolysin | | Authors: | Mondal, A.K, Sengupta, N, Singh, M, Biswas, R, Lata, K, Lahiri, I, Dutta, S, Chattopadhyay, K. | | Deposit date: | 2022-07-25 | | Release date: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Cryo-EM structure of complete transmembrane channel E289A mutant Vibrio cholerae Cytolysin
J.Biol.Chem.
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7ZF0
 | | Crystal structure of UGT85B1 from Sorghum bicolor in complex with UDP and p-hydroxymandelonitrile | | Descriptor: | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE, 1,2-ETHANEDIOL, Cyanohydrin beta-glucosyltransferase, ... | | Authors: | Putkaradze, N, Fredslund, F, Welner, D.H. | | Deposit date: | 2022-03-31 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-guided engineering of key amino acids in UGT85B1 controlling substrate and stereo-specificity in aromatic cyanogenic glucoside biosynthesis.
Plant J., 111, 2022
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7ZER
 | | Crystal structure of UGT85B1 from Sorghum bicolor in complex with UDP | | Descriptor: | 1,2-ETHANEDIOL, Cyanohydrin beta-glucosyltransferase, URIDINE-5'-DIPHOSPHATE | | Authors: | Putkaradze, N, Fredslund, F, Welner, D.H. | | Deposit date: | 2022-03-31 | | Release date: | 2022-07-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structure-guided engineering of key amino acids in UGT85B1 controlling substrate and stereo-specificity in aromatic cyanogenic glucoside biosynthesis.
Plant J., 111, 2022
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7Z3J
 | | Structure of crystallisable rat Phospholipase C gamma 1 in complex with inositol 1,4,5-trisphosphate | | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ... | | Authors: | Pinotsis, N, Bunney, T.D, Katan, M. | | Deposit date: | 2022-03-02 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterization of the membrane interactions of phospholipase C gamma reveals key features of the active enzyme.
Sci Adv, 8, 2022
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7Z10
 | | Monomeric respiratory complex IV isolated from S. cerevisiae | | Descriptor: | COPPER (II) ION, CYTOCHROME C OXIDASE SUBUNIT 3; SYNONYM: CYTOCHROME C OXIDASE POLYPEPTIDE III, COX3, ... | | Authors: | Marechal, A, Hartley, A, Ing, G, Pinotsis, N. | | Deposit date: | 2022-02-24 | | Release date: | 2022-08-03 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.87 Å) | | Cite: | Cryo-EM structure of a monomeric yeast S. cerevisiae complex IV isolated with maltosides: Implications in supercomplex formation.
Biochim Biophys Acta Bioenerg, 1863, 2022
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4Y2B
 | | Co-crystal structure of 3-ethyl-2-(isopropylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one bound to PDE7A | | Descriptor: | 3-ethyl-2-(propan-2-ylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ... | | Authors: | Endo, Y, Kawai, K, Asano, T, Amano, S, Asanuma, Y, Sawada, K, Onodera, Y, Ueo, N, Takahashi, N, Sonoda, Y, Kamei, N, Irie, T. | | Deposit date: | 2015-02-09 | | Release date: | 2015-04-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 2-(Isopropylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivatives as selective phosphodiesterase 7 inhibitors with potent in vivo efficacy
Bioorg.Med.Chem.Lett., 25, 2015
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5JIW
 | | Crystal structure of Thermus aquaticus amylomaltase (GH77) in complex with a 34-meric cycloamylose | | Descriptor: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase, CARBONATE ION, ... | | Authors: | Roth, C, Bexten, N, Weizenmann, N, Saenger, T, Maier, T, Zimmermann, W, Straeter, N. | | Deposit date: | 2016-04-22 | | Release date: | 2017-01-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Amylose recognition and ring-size determination of amylomaltase.
Sci Adv, 3, 2017
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6WF1
 | | Crystal Structure of Broadly Neutralizing Antibody 3I14 Bound to the Influenza A H10 Hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain, ... | | Authors: | Harshbarger, W.D, Lockbaum, G.J, Deming, D.T, Attatippaholkun, N, Schiffer, C.A, Marasco, W.A. | | Deposit date: | 2020-04-03 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (4.19 Å) | | Cite: | Unique structural solution from a V H 3-30 antibody targeting the hemagglutinin stem of influenza A viruses.
Nat Commun, 12, 2021
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6WNV
 | | 70S ribosome without free 5S rRNA and with a perturbed PTC | | Descriptor: | 16S ribosomal RNA, 23s-5s joint ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Korostelev, A.A, Mankin, A.S, Huang, S, Aleksashin, N.A, Klepacki, D, Reier, K, Kefi, A, Szal, A, Remme, J, Jaeger, L, Vazquez-Laslop, N. | | Deposit date: | 2020-04-23 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Ribosome engineering reveals the importance of 5S rRNA autonomy for ribosome assembly.
Nat Commun, 11, 2020
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6WVV
 | | Plasmodium vivax M17 leucyl aminopeptidase | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, M17 leucyl aminopeptidase, ... | | Authors: | Malcolm, T.R, Drinkwater, N, McGowan, S. | | Deposit date: | 2020-05-07 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Active site metals mediate an oligomeric equilibrium in Plasmodium M17 aminopeptidases.
J.Biol.Chem., 296, 2020
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6WPJ
 | | Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and d4T | | Descriptor: | 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA Primer 21-mer, DNA template 27-mer, ... | | Authors: | Bertoletti, N, Anderson, K.S. | | Deposit date: | 2020-04-27 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Post-Catalytic Complexes with Emtricitabine or Stavudine and HIV-1 Reverse Transcriptase Reveal New Mechanistic Insights for Nucleotide Incorporation and Drug Resistance.
Molecules, 25, 2020
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6WH8
 | | The structure of NTMT1 in complex with compound BM-30 | | Descriptor: | 4HP-PRO-LYS-ARG-NH2, BM-30, N-terminal Xaa-Pro-Lys N-methyltransferase 1, ... | | Authors: | Noinaj, N, Chen, D, Huang, R. | | Deposit date: | 2020-04-07 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.729 Å) | | Cite: | Selective Peptidomimetic Inhibitors of NTMT1/2: Rational Design, Synthesis, Characterization, and Crystallographic Studies.
J.Med.Chem., 63, 2020
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6WHY
 | | GluN1b-GluN2B NMDA receptor in complex with GluN1 antagonist L689,560, class 1 | | Descriptor: | (2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chou, T, Tajima, N, Furukawa, H. | | Deposit date: | 2020-04-08 | | Release date: | 2020-07-15 | | Last modified: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (4.03 Å) | | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
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6WH3
 | | Capsid structure of Penaeus monodon metallodensovirus at pH 8.2 | | Descriptor: | CALCIUM ION, Penaeus monodon metallodensovirus major capsid protein | | Authors: | Penzes, J.J, Pham, H.T, Chipman, P, Bhattacharya, N, McKenna, R, Agbandje-McKenna, M, Tijssen, P. | | Deposit date: | 2020-04-07 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Molecular biology and structure of a novel penaeid shrimp densovirus elucidate convergent parvoviral host capsid evolution.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6WV4
 | | Human VKOR C43S with warfarin | | Descriptor: | S-WARFARIN, Vitamin K epoxide reductase Cys43Ser mutant, termini restrained by green fluorescent protein | | 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 (3.012 Å) | | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
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6WPG
 | | Structural Basis of Salicylic Acid Perception by Arabidopsis NPR Proteins | | Descriptor: | 2-HYDROXYBENZOIC ACID, Regulatory protein NPR4 | | Authors: | Wang, W, Withers, J, Li, H, Zwack, P.J, Rusnac, D.V, Shi, H, Liu, L, Yan, S, Hinds, T.R, Guttman, M, Dong, X, Zheng, N. | | Deposit date: | 2020-04-27 | | Release date: | 2020-08-12 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.283 Å) | | Cite: | Structural basis of salicylic acid perception by Arabidopsis NPR proteins.
Nature, 586, 2020
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6X24
 | | Structural basis of plant blue light photoreceptor | | Descriptor: | Cryptochrome-2, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Palayam, M, Ganapathy, J, Guercio, M.A, Shabek, N. | | Deposit date: | 2020-05-19 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structural insights into photoactivation of plant Cryptochrome-2.
Commun Biol, 4, 2021
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