6QIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qis by Molmil](/molmil-images/mine/6qis) | Crystal structure of CAG repeats with synthetic CMBL3a compound (model II) | Descriptor: | CMBL3a, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3'), SULFATE ION | Authors: | Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K. | Deposit date: | 2019-01-21 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. Nucleic Acids Res., 47, 2019
|
|
8G2A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g2a by Molmil](/molmil-images/mine/8g2a) | Crystal structure of the A2503-C2,C8-dimethylated Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Phe-tRNAphe, peptidyl P-site fMTHSMRC-tRNAmet, and deacylated E-site tRNAphe at 2.45A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Aleksandrova, E.V, Wu, K.J.Y, Tresco, B.I.C, Syroegin, E.A, Killeavy, E.E, Balasanyants, S.M, Svetlov, M.S, Gregory, S.T, Atkinson, G.C, Myers, A.G, Polikanov, Y.S. | Deposit date: | 2023-02-03 | Release date: | 2023-12-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis of Cfr-mediated antimicrobial resistance and mechanisms to evade it. Nat.Chem.Biol., 20, 2024
|
|
6NLG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nlg by Molmil](/molmil-images/mine/6nlg) | 1.50 A resolution structure of BfrB (C89S/K96C) from Pseudomonas aeruginosa in complex with a small molecule fragment (analog 1) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-hydroxy-1H-isoindole-1,3(2H)-dione, Bacterioferritin, ... | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | Deposit date: | 2019-01-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
|
|
8G2D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g2d by Molmil](/molmil-images/mine/8g2d) | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with tylosin, mRNA, deacylated A- and E-site tRNAphe, and deacylated P-site tRNAmet at 2.70A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Aleksandrova, E.V, Wu, K.J.Y, Tresco, B.I.C, Syroegin, E.A, Killeavy, E.E, Balasanyants, S.M, Svetlov, M.S, Gregory, S.T, Atkinson, G.C, Myers, A.G, Polikanov, Y.S. | Deposit date: | 2023-02-03 | Release date: | 2023-12-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of Cfr-mediated antimicrobial resistance and mechanisms to evade it. Nat.Chem.Biol., 20, 2024
|
|
6Q71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q71 by Molmil](/molmil-images/mine/6q71) | Crystal structure of the alanine racemase Bsu17640 from Bacillus subtilis in the presence of Bis-Tris propane | Descriptor: | Alanine racemase 2, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Bernardo-Garcia, N, Gago, F, Hermoso, J.A. | Deposit date: | 2018-12-12 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase. Org.Biomol.Chem., 17, 2019
|
|
6NW6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nw6 by Molmil](/molmil-images/mine/6nw6) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with S-Adenosyl methionine | Descriptor: | S-ADENOSYLMETHIONINE, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-06 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
|
|
6NLK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nlk by Molmil](/molmil-images/mine/6nlk) | 1.85 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 13) | Descriptor: | 4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | Deposit date: | 2019-01-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
|
|
7QQ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qq0 by Molmil](/molmil-images/mine/7qq0) | |
8DL2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dl2 by Molmil](/molmil-images/mine/8dl2) | BoGH13ASus from Bacteroides ovatus bound to acarbose | Descriptor: | 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Brown, H.A, DeVeaux, A.L, Koropatkin, N.M. | Deposit date: | 2022-07-06 | Release date: | 2023-05-24 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | BoGH13A Sus from Bacteroides ovatus represents a novel alpha-amylase used for Bacteroides starch breakdown in the human gut. Cell.Mol.Life Sci., 80, 2023
|
|
7QEJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qej by Molmil](/molmil-images/mine/7qej) | Structure of the ligand binding domain of the antibiotic biosynthesis regulator AdmX from the rhizobacterium Serratia plymuthica A153 bound to the auxin indole-3-acetic acid (IAA). | Descriptor: | 1H-INDOL-3-YLACETIC ACID, MAGNESIUM ION, TRANSCRIPTIONAL REGULATOR AdmX | Authors: | Gavira, J.A, Rico-Jimenez, M, Castellvi, A, Krell, T, Matilla, M.A. | Deposit date: | 2021-12-03 | Release date: | 2022-12-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Emergence of an Auxin Sensing Domain in Plant-Associated Bacteria. Mbio, 14, 2023
|
|
7QZF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qzf by Molmil](/molmil-images/mine/7qzf) | SFX structure of dye-type peroxidase DtpB D152A/N245A variant in the ferric state | Descriptor: | Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Owen, R.L, Axford, D, Tosha, T, Sugimoto, H, Owada, S. | Deposit date: | 2022-01-31 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB. Acs Catalysis, 12, 2022
|
|
6QDV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qdv by Molmil](/molmil-images/mine/6qdv) | Human post-catalytic P complex spliceosome | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ... | Authors: | Fica, S.M, Oubridge, C, Wilkinson, M.E, Newman, A.J, Nagai, K. | Deposit date: | 2019-01-03 | Release date: | 2019-02-20 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | A human postcatalytic spliceosome structure reveals essential roles of metazoan factors for exon ligation. Science, 363, 2019
|
|
7QHA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qha by Molmil](/molmil-images/mine/7qha) | Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Photobacterium profundum in amphipol | Descriptor: | Megabody c7HopQ, Putative TRAP-type C4-dicarboxylate transport system, large permease component, ... | Authors: | North, R.A, Davies, J.S, Morado, D, Dobson, R.C.J. | Deposit date: | 2021-12-11 | Release date: | 2022-12-21 | Last modified: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter. Nat Commun, 14, 2023
|
|
6YS3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ys3 by Molmil](/molmil-images/mine/6ys3) | Cryo-EM structure of the 50S ribosomal subunit at 2.58 Angstroms with modeled GBC SecM peptide | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Schulte, L, Reitz, J, Kudlinzki, D, Hodirnau, V.V, Frangakis, A, Schwalbe, H. | Deposit date: | 2020-04-20 | Release date: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Cryo-EM structure of the 50S ribosomal subunit at 2.58 Angstroms with modeled GBC SecM peptide Nat Commun, 2020
|
|
6PU7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pu7 by Molmil](/molmil-images/mine/6pu7) | Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide) | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lesburg, C.A. | Deposit date: | 2019-07-17 | Release date: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy. Acs Med.Chem.Lett., 10, 2019
|
|
6PS5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ps5 by Molmil](/molmil-images/mine/6ps5) | XFEL beta2 AR structure by ligand exchange from Timolol to Propranolol. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, CHOLESTEROL, ... | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | Deposit date: | 2019-07-12 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
|
|
5LZE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lze by Molmil](/molmil-images/mine/5lze) | Structure of the 70S ribosome with Sec-tRNASec in the classical pre-translocation state (C) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Fischer, N, Neumann, P, Bock, L.V, Maracci, C, Wang, Z, Paleskava, A, Konevega, A.L, Schroeder, G.F, Grubmueller, H, Ficner, R, Rodnina, M.V, Stark, H. | Deposit date: | 2016-09-29 | Release date: | 2016-11-23 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The pathway to GTPase activation of elongation factor SelB on the ribosome. Nature, 540, 2016
|
|
8FQW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fqw by Molmil](/molmil-images/mine/8fqw) | ADC-30 in complex with boronic acid transition state inhibitor MB076 | Descriptor: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Ruiz, V.J. | Deposit date: | 2023-01-06 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J.Med.Chem., 66, 2023
|
|
6PYP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pyp by Molmil](/molmil-images/mine/6pyp) | Binary Complex of Human Glycerol 3-Phosphate Dehydrogenase, R269A mutant | Descriptor: | 2,2-bis(hydroxymethyl)propane-1,3-diol, Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic, ... | Authors: | Gulick, A.M. | Deposit date: | 2019-07-30 | Release date: | 2020-07-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Modeling the Role of a Flexible Loop and Active Site Side Chains in Hydride Transfer Catalyzed by Glycerol-3-phosphate Dehydrogenase. Acs Catalysis, 10, 2020
|
|
8FQV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fqv by Molmil](/molmil-images/mine/8fqv) | apo ADC-30 beta-lactamase | Descriptor: | Beta-lactamase, PHOSPHATE ION | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Ruiz, V.J. | Deposit date: | 2023-01-06 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J.Med.Chem., 66, 2023
|
|
7QOQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qoq by Molmil](/molmil-images/mine/7qoq) | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 8.5 in complex with UMP and Magnesium | Descriptor: | CHLORIDE ION, Glucosyl-3-phosphoglycerate synthase, MAGNESIUM ION, ... | Authors: | Silva, A, Barbosa Pereira, P.J, Macedo-Ribeiro, S, Costa, D. | Deposit date: | 2021-12-27 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 8.5 in complex with UMP and Magnesium To Be Published
|
|
6MZJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mzj by Molmil](/molmil-images/mine/6mzj) | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer, 2 Fabs bound, sharpened map | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c DS-SOSIP D3, ... | Authors: | Borst, A.J, Weidle, C.E, Gray, M.D, Frenz, B, Snijder, J, Joyce, M.G, Georgiev, I.S, Stewart-Jones, G.B.E, Kwong, P.D, McGuire, A.T, DiMaio, F, Stamatatos, L, Pancera, M, Veesler, D. | Deposit date: | 2018-11-05 | Release date: | 2018-11-14 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core. Elife, 7, 2018
|
|
6Q3E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q3e by Molmil](/molmil-images/mine/6q3e) | Dye type peroxidase Aa from Streptomyces lividans: 274.4 kGy structure | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | Deposit date: | 2018-12-04 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins. Iucrj, 6, 2019
|
|
6Q41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q41 by Molmil](/molmil-images/mine/6q41) | Atomic resolution crystal structure of a BAA collagen heterotrimer | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Leading chain of the BAA collagen heterotrimer, ... | Authors: | Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W. | Deposit date: | 2018-12-05 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Atomic resolution crystal structure of an AAB collagen heterotrimer Nat.Chem.Biol., 2019
|
|
8D97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d97 by Molmil](/molmil-images/mine/8d97) | Apo gRAMP | Descriptor: | RAMP superfamily protein, RNA (42-MER), ZINC ION | Authors: | Hu, C, Nam, K.H, Schuler, G, Ke, A. | Deposit date: | 2022-06-09 | Release date: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Craspase is a CRISPR RNA-guided, RNA-activated protease. Science, 377, 2022
|
|