7UHK
 
 | | Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Non-Hydrolyzed Moxalactam (80 ms Snapshot) | | Descriptor: | (1R,6R,7R)-7-[(2R)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Srajer, V, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-03-27 | | Release date: | 2022-04-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase.
Nat Commun, 13, 2022
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6QL0
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6UIZ
 | | Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases | | Descriptor: | ACETATE ION, Streptavidin, {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappaN~1~)iron(4+) | | Authors: | Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S. | | Deposit date: | 2019-10-01 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020
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8U7J
 | | Crystal Structure of Staphylococcus aureus PLP synthase complex | | Descriptor: | GLUTAMINE, PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PdxS, ... | | Authors: | Barra, A.L.C, Brognaro, H, Betzel, C, Nascimento, A.S. | | Deposit date: | 2023-09-15 | | Release date: | 2024-07-24 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Structure and dynamics of the staphylococcal pyridoxal 5-phosphate synthase complex reveal transient interactions at the enzyme interface.
J.Biol.Chem., 300, 2024
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7UHL
 | | Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Non-Hydrolyzed Moxalactam (100 ms Snapshot) | | Descriptor: | (1R,6R,7R)-7-[(2R)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Srajer, V, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-03-27 | | Release date: | 2022-04-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase.
Nat Commun, 13, 2022
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5MUG
 | | Self-assembled alpha-Tocopherol Transfer Protein Nanoparticles Promote Vitamin E Delivery Across an Endothelial Barrier | | Descriptor: | (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, Alpha-tocopherol transfer protein, CHLORIDE ION, ... | | Authors: | Stocker, A, Aeschimann, W. | | Deposit date: | 2017-01-13 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Self-assembled alpha-Tocopherol Transfer Protein Nanoparticles Promote Vitamin E Delivery Across an Endothelial Barrier.
Sci Rep, 7, 2017
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7UHI
 | | Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Non-Hydrolyzed Moxalactam (40 ms Snapshot) | | Descriptor: | (1R,6R,7R)-7-[(2R)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Srajer, V, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-03-27 | | Release date: | 2022-04-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase.
Nat Commun, 13, 2022
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5MUV
 | | Atomic structure fitted into a localized reconstruction of bacteriophage phi6 packaging hexamer P4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Packaging enzyme P4 | | Authors: | Sun, Z, El Omari, K, Sun, X, Ilca, S, Kotecha, A, Stuart, D.I, Poranen, M.M, Huiskonen, J.T. | | Deposit date: | 2017-01-14 | | Release date: | 2017-03-22 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (9.1 Å) | | Cite: | Double-stranded RNA virus outer shell assembly by bona fide domain-swapping.
Nat Commun, 8, 2017
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6QIZ
 | | CI-2, conformation 2 | | Descriptor: | Subtilisin-chymotrypsin inhibitor-2A | | Authors: | Romero, A, Ruiz, F.M. | | Deposit date: | 2019-01-21 | | Release date: | 2019-12-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Engineering protein assemblies with allosteric control via monomer fold-switching.
Nat Commun, 10, 2019
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7QY3
 | | Crystal structure of the halohydrin dehalogenase HheG D114C mutant cross-linked with BMOE | | Descriptor: | 1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione), Putative oxidoreductase, SULFATE ION | | Authors: | Henke, S, Blankenfeldt, W, Schallmey, A. | | Deposit date: | 2022-01-27 | | Release date: | 2022-03-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Biocatalytically active and stable cross-linked enzyme crystals of halohydrin dehalogenase HheG by protein engineering
Chemcatchem, 2022
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5MVC
 | | Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | | Descriptor: | 4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R. | | Deposit date: | 2017-01-16 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
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6QJG
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8U9E
 | | Crystal Structure of Staphylococcus aureus Pdx1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ... | | Authors: | Barra, A.L.C, Nascimento, A.S. | | Deposit date: | 2023-09-19 | | Release date: | 2024-07-24 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Structure and dynamics of the staphylococcal pyridoxal 5-phosphate synthase complex reveal transient interactions at the enzyme interface.
J.Biol.Chem., 300, 2024
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6QFM
 | | Structure of human Mcl-1 in complex with PUMA BH3 peptide | | Descriptor: | Bcl-2-binding component 3, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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7UNN
 | | Thiol-disulfide oxidoreductase TsdA from Corynebacterium diphtheriae | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Thioredoxin domain-containing protein | | Authors: | Osipiuk, J, Reardon-Robinson, M, Nguyen, M.T, Sanchez, B, Ton-That, H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-04-11 | | Release date: | 2022-04-20 | | Last modified: | 2023-05-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A cryptic oxidoreductase safeguards oxidative protein folding in Corynebacterium diphtheriae.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7UML
 | | Structure of vesicular stomatitis virus (local reconstruction, 3.5 A resolution) | | Descriptor: | Matrix protein, Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3') | | Authors: | Jenni, S, Horwitz, J.A, Bloyet, L.-M, Whelan, S.P.J, Harrison, S.C. | | Deposit date: | 2022-04-07 | | Release date: | 2022-04-20 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Visualizing molecular interactions that determine assembly of a bullet-shaped vesicular stomatitis virus particle.
Nat Commun, 13, 2022
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7BL7
 | | Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (P21212 form) | | Descriptor: | URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase | | Authors: | Walter, P, Labesse, G, Haouz, A, Mechaly, A.E, Munier-Lehmann, H. | | Deposit date: | 2021-01-18 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.33 Å) | | Cite: | Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target.
Febs J., 289, 2022
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8R9U
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | Descriptor: | 7-dimethylphosphoryl-3-[2-[[(3~{S})-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1~{H}-indole-6-carbonitrile, Cyclin-dependent kinase 7 | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2023-11-30 | | Release date: | 2024-05-29 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.937 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
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8QQ1
 | | SpNOX dehydrogenase domain, mutant F397W in complex with Flavin adenine dinucleotide (FAD) | | Descriptor: | BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Oxidoreductase | | Authors: | Humm, A.S, Dupeux, F, Vermot, A, Petit-Harleim, I, Fieschi, F, Marquez, J.A. | | Deposit date: | 2023-10-03 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.941 Å) | | Cite: | X-ray structure and enzymatic study of a bacterial NADPH oxidase highlight the activation mechanism of eukaryotic NOX.
Elife, 13, 2024
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6NZJ
 | | Structural Analysis of a Nitrogenase Iron Protein from Methanosarcina acetivorans: Implications for CO2 Capture by a Surface-Exposed [Fe4S4] Cluster | | Descriptor: | IRON/SULFUR CLUSTER, Nitrogenase iron protein, SULFATE ION | | Authors: | Rettberg, L.A, Kang, W, Stiebritz, M.T, Hiller, C.J, Lee, C.C, Liedtke, J, Ribbe, M.W, Hu, Y. | | Deposit date: | 2019-02-13 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Analysis of a Nitrogenase Iron Protein from Methanosarcina acetivorans: Implications for CO 2 Capture by a Surface-Exposed [Fe 4 S 4 ] Cluster.
Mbio, 10, 2019
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5M6H
 | | Small Molecule inhibitors of IAP | | Descriptor: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | | Authors: | Williams, P.A. | | Deposit date: | 2016-10-25 | | Release date: | 2017-05-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
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6O3L
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5MON
 | | Joint X-ray/neutron structure of cationic trypsin in complex with 2-aminopyridine | | Descriptor: | 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-14 | | Release date: | 2017-05-24 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (0.939 Å), X-RAY DIFFRACTION | | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5M7I
 | | Crystal structure of GH125 1,6-alpha-mannosidase mutant from Clostridium perfringens in complex with 1,6-alpha-mannobiose | | Descriptor: | alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose, exo-alpha-1,6-mannosidase | | Authors: | Males, A, Alonso-Gil, S, Fernandes, P, Williams, S.J, Rovira, C, Davies, G.J. | | Deposit date: | 2016-10-27 | | Release date: | 2016-11-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Computational Design of Experiment Unveils the Conformational Reaction Coordinate of GH125 alpha-Mannosidases.
J. Am. Chem. Soc., 139, 2017
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6X63
 | | Atomic-Resolution Structure of HIV-1 Capsid Tubes by Magic Angle Spinning NMR | | Descriptor: | HIV-1 capsid protein | | Authors: | Lu, M, Russell, R.W, Bryer, A, Quinn, C.M, Hou, G, Zhang, H, Schwieters, C.D, Perilla, J.R, Gronenborn, A.M, Polenova, T. | | Deposit date: | 2020-05-27 | | Release date: | 2020-09-02 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR.
Nat.Struct.Mol.Biol., 27, 2020
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