6ZJV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zjv by Molmil](/molmil-images/mine/6zjv) | |
6QLG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qlg by Molmil](/molmil-images/mine/6qlg) | Crystal structure of AnUbiX (PadA1) in complex with FMN and dimethylallyl pyrophosphate | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYLALLYL DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, ... | Authors: | Marshall, S.A, Payne, K.A.P, Leys, D. | Deposit date: | 2019-02-01 | Release date: | 2019-06-05 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry. Nat Commun, 10, 2019
|
|
8POL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pol by Molmil](/molmil-images/mine/8pol) | Crystal structure of Plasmodium falciparum Sub1 protease | Descriptor: | CALCIUM ION, PHOSPHATE ION, Subtilisin-like protease 1 | Authors: | Martinez, M, Bouillon, A, Haouz, A, Barale, J.C, Alzari, P.M. | Deposit date: | 2023-07-05 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Prodomain-driven enzyme dimerization: a pH-dependent autoinhibition mechanism that controls Plasmodium Sub1 activity before merozoite egress. Mbio, 15, 2024
|
|
5NI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ni4 by Molmil](/molmil-images/mine/5ni4) | |
6QIR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qir by Molmil](/molmil-images/mine/6qir) | Crystal structure of CAG repeats with synthetic CMBL3a compound (model I) | Descriptor: | CMBL3a, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3') | Authors: | Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K. | Deposit date: | 2019-01-21 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.531 Å) | Cite: | Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. Nucleic Acids Res., 47, 2019
|
|
6Z63
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z63 by Molmil](/molmil-images/mine/6z63) | FtsE structure from Streptococus pneumoniae in complex with ADP at 1.57 A resolution (spacegroup P 21) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE | Authors: | Alcorlo, M, Straume, D, Havarstein, L.S, Hermoso, J.A. | Deposit date: | 2020-05-27 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae. Mbio, 11, 2020
|
|
5NGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ngm by Molmil](/molmil-images/mine/5ngm) | 2.9S structure of the 70S ribosome composing the S. aureus 100S complex | Descriptor: | 16S ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Matzov, D, Aibara, S, Zimmerman, E, Bashan, A, Amunts, A, Yonath, A. | Deposit date: | 2017-03-18 | Release date: | 2017-10-04 | Last modified: | 2018-11-28 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | The cryo-EM structure of hibernating 100S ribosome dimer from pathogenic Staphylococcus aureus. Nat Commun, 8, 2017
|
|
8G20
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g20 by Molmil](/molmil-images/mine/8g20) | |
7UHT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uht by Molmil](/molmil-images/mine/7uht) | SSX Structure of Metallo Beta-Lactamase L1 with One Zinc in the Active Site | Descriptor: | 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
|
|
8G1T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g1t by Molmil](/molmil-images/mine/8g1t) | Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P21 | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S. | Deposit date: | 2023-02-02 | Release date: | 2023-12-27 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J., 291, 2024
|
|
5MUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mum by Molmil](/molmil-images/mine/5mum) | Glycoside Hydrolase BACINT_00347 | Descriptor: | 1,2-ETHANEDIOL, BACINT_00347, PENTAETHYLENE GLYCOL | Authors: | Munoz-Munoz, J, Cartmell, A, Terrapon, N, Henrissat, B, Gilbert, H.J. | Deposit date: | 2017-01-13 | Release date: | 2017-04-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Unusual active site location and catalytic apparatus in a glycoside hydrolase family. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
7UHR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uhr by Molmil](/molmil-images/mine/7uhr) | Time-Resolved Structure of Metallo Beta-Lactamase L1 Before Reaction (Dark-Set) | Descriptor: | 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
|
|
7UHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uhq by Molmil](/molmil-images/mine/7uhq) | Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Cleaved Moxalactam (4000 ms Snapshot) | Descriptor: | (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-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
|
|
7UHS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uhs by Molmil](/molmil-images/mine/7uhs) | SSX Structure of Metallo Beta-Lactamase L1 with Two Water Molecules in the Active Site | Descriptor: | Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase) | 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
|
|
8G4Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g4z by Molmil](/molmil-images/mine/8g4z) | E. coli DHFR complex with NADP+ and folate: EF-X off model by Laue diffraction (no electric field) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R. | Deposit date: | 2023-02-10 | Release date: | 2024-01-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8G50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g50 by Molmil](/molmil-images/mine/8g50) | E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R. | Deposit date: | 2023-02-10 | Release date: | 2024-01-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8GO9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8go9 by Molmil](/molmil-images/mine/8go9) | Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human Atypical chemokine receptor 2, ACKR2 (D6R) | Descriptor: | Atypical chemokine receptor 2, Beta-arrestin-2, Fab30 Heavy Chain, ... | Authors: | Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K. | Deposit date: | 2022-08-24 | Release date: | 2023-12-27 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Molecular insights into atypical modes of beta-arrestin interaction with seven transmembrane receptors. Science, 383, 2024
|
|
5M5N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m5n by Molmil](/molmil-images/mine/5m5n) | Pseudo-atomic model of microtubule-bound S.pombe kinesin-5 motor domain in the AMPPNP state (based on cryo-electron microscopy experiment): the N-terminus adopts multiple conformations. | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein cut7, ... | Authors: | Goulet, A, Moores, C.A, Cross, R.A. | Deposit date: | 2016-10-22 | Release date: | 2016-11-30 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (9.3 Å) | Cite: | Schizosaccharomyces pombe kinesin-5 switches direction using a steric blocking mechanism. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
6UGI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ugi by Molmil](/molmil-images/mine/6ugi) | |
5MOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mof by Molmil](/molmil-images/mine/5mof) | Ethylene Forming Enzyme from Pseudomonas syringae pv. phaseolicola - I222 crystal form in complex with manganese and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, CHLORIDE ION, ... | Authors: | McDonough, M.A, Zhang, Z, Schofield, C.J. | Deposit date: | 2016-12-14 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and stereoelectronic insights into oxygenase-catalyzed formation of ethylene from 2-oxoglutarate. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
7UPI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7upi by Molmil](/molmil-images/mine/7upi) | Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex | Descriptor: | CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, Leucine-rich repeat protein SHOC-2, ... | Authors: | Fuller, J.R, Hajian, B, Lemke, C, Kwon, J, Bian, Y, Aguirre, A. | Deposit date: | 2022-04-15 | Release date: | 2022-05-04 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex. Nature, 609, 2022
|
|
6UI0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ui0 by Molmil](/molmil-images/mine/6ui0) | 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}iron(3+) | 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: | 2019-09-29 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases. Inorg.Chem., 59, 2020
|
|
8QQ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qq7 by Molmil](/molmil-images/mine/8qq7) | Structure of SpNOX: a Bacterial NADPH oxidase | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FAD-binding FR-type domain-containing protein, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Thepaut, M, Petit-Hartlein, I, Vermot, A, Chaptal, V, Humm, A.S, Dupeux, F, Marquez, J.A, Smith, S, Fieschi, F. | Deposit date: | 2023-10-04 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.62 Å) | Cite: | X-ray structure and enzymatic study of a bacterial NADPH oxidase highlight the activation mechanism of eukaryotic NOX. Elife, 13, 2024
|
|
8QQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qq5 by Molmil](/molmil-images/mine/8qq5) | Structure of WT SpNox DH domain: a bacterial NADPH oxidase. | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Oxidoreductase | Authors: | Thepaut, M, Petit-Hartlein, I, Vermot, A, Humm, A.S, Dupeux, F, Marquez, J.A, Smith, S, Fieschi, F. | Deposit date: | 2023-10-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray structure and enzymatic study of a bacterial NADPH oxidase highlight the activation mechanism of eukaryotic NOX. Elife, 13, 2024
|
|
7USZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7usz by Molmil](/molmil-images/mine/7usz) | Human DDAH-1, holo (Zn-bound) form | Descriptor: | CHLORIDE ION, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, ZINC ION | Authors: | Smith, C.A, Ghebre, Y.T. | Deposit date: | 2022-04-26 | Release date: | 2022-05-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Esomeprazole covalently interacts with the cardiovascular enzyme dimethylarginine dimethylaminohydrolase: Insights into the cardiovascular risk of proton pump inhibitors. Biochim Biophys Acta Gen Subj, 1866, 2022
|
|