7LXP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lxp by Molmil](/molmil-images/mine/7lxp) | |
7LXQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lxq by Molmil](/molmil-images/mine/7lxq) | |
5CZJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5czj by Molmil](/molmil-images/mine/5czj) | |
3P4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p4i by Molmil](/molmil-images/mine/3p4i) | |
7LL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ll7 by Molmil](/molmil-images/mine/7ll7) | [2]Catenane From MccJ25 Variant G12C G21C | Descriptor: | GLY-GLY-ALA-GLY-HIS-VAL-PRO-GLU-TYR-PHE, VAL-CYS-ILE-GLY-THR-PRO-ILE-SER-PHE-TYR-CYS | Authors: | Link, A.J, Schroeder, H.V. | Deposit date: | 2021-02-03 | Release date: | 2021-08-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Dynamic covalent self-assembly of mechanically interlocked molecules solely made from peptides. Nat.Chem., 13, 2021
|
|
3PE8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pe8 by Molmil](/molmil-images/mine/3pe8) | |
6N51
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n51 by Molmil](/molmil-images/mine/6n51) | Metabotropic Glutamate Receptor 5 bound to L-quisqualate and Nb43 | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ... | Authors: | Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K. | Deposit date: | 2018-11-20 | Release date: | 2019-01-23 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural insights into the activation of metabotropic glutamate receptors. Nature, 566, 2019
|
|
3MYB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3myb by Molmil](/molmil-images/mine/3myb) | |
6N52
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n52 by Molmil](/molmil-images/mine/6n52) | Metabotropic Glutamate Receptor 5 Apo Form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5 | Authors: | Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K. | Deposit date: | 2018-11-20 | Release date: | 2019-01-23 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural insights into the activation of metabotropic glutamate receptors. Nature, 566, 2019
|
|
7LHZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lhz by Molmil](/molmil-images/mine/7lhz) | K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid (compound 25) | Descriptor: | (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3'), ... | Authors: | Noeske, J, Shu, W, Bellamacina, C. | Deposit date: | 2021-01-26 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria. J.Med.Chem., 64, 2021
|
|
5SVX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5svx by Molmil](/molmil-images/mine/5svx) | |
7LUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lue by Molmil](/molmil-images/mine/7lue) | |
7LUD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lud by Molmil](/molmil-images/mine/7lud) | Crystal structure of Fab ADI-14442 | Descriptor: | ADI-14442 Fab Heavy chain, ADI-14442 Fab Light chain, SULFATE ION | Authors: | Rush, S.A, McLellan, J.S. | Deposit date: | 2021-02-22 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Vaccination with prefusion-stabilized respiratory syncytial virus fusion protein induces genetically and antigenically diverse antibody responses. Immunity, 54, 2021
|
|
7V8G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v8g by Molmil](/molmil-images/mine/7v8g) | Crystal structure of HOIP RING1 domain bound to IpaH1.4 LRR domain | Descriptor: | E3 ubiquitin-protein ligase RNF31, RING-type E3 ubiquitin transferase, ZINC ION | Authors: | Liu, J, Wang, Y, Pan, L. | Deposit date: | 2021-08-23 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7V8E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v8e by Molmil](/molmil-images/mine/7v8e) | Crystal structure of IpaH1.4 LRR domain bound to HOIL-1L UBL domain. | Descriptor: | RING-type E3 ubiquitin transferase, RanBP-type and C3HC4-type zinc finger-containing protein 1 | Authors: | Liu, J, Wang, Y, Pan, L. | Deposit date: | 2021-08-22 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7V8F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v8f by Molmil](/molmil-images/mine/7v8f) | Crystal structure of UBE2L3 bound to HOIP RING1 domain. | Descriptor: | E3 ubiquitin-protein ligase RNF31, Ubiquitin-conjugating enzyme E2 L3, ZINC ION | Authors: | Liu, J, Wang, Y, Pan, L. | Deposit date: | 2021-08-22 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
5ZOI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zoi by Molmil](/molmil-images/mine/5zoi) | Crystal Structure of alpha1,3-Fucosyltransferase | Descriptor: | Alpha-(1,3)-fucosyltransferase FucT, [[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate | Authors: | Tan, Y, Yang, G. | Deposit date: | 2018-04-13 | Release date: | 2019-06-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Directed evolution of an alpha 1,3-fucosyltransferase using a single-cell ultrahigh-throughput screening method. Sci Adv, 5, 2019
|
|
2I47
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i47 by Molmil](/molmil-images/mine/2i47) | Crystal structure of catalytic domain of TACE with inhibitor | Descriptor: | 4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}METHYL)-1-[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]-N-HYDROXYPIPERIDINE-4-CARBOXAMIDE, ADAM 17, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | Authors: | Xu, W, Condon, J.S, Lovering, F.E. | Deposit date: | 2006-08-21 | Release date: | 2006-12-05 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of potent and selective TACE inhibitors via the S1 pocket. Bioorg.Med.Chem.Lett., 17, 2007
|
|
7V8H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v8h by Molmil](/molmil-images/mine/7v8h) | Crystal structure of LRR domain from Shigella flexneri IpaH1.4 | Descriptor: | RING-type E3 ubiquitin transferase | Authors: | Liu, J, Wang, Y, Pan, L. | Deposit date: | 2021-08-23 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
5URC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5urc by Molmil](/molmil-images/mine/5urc) | Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease | Descriptor: | (5-formylfuran-2-yl)methyl acetate, 5-HYDROXYMETHYL-FURFURAL, CARBON MONOXIDE, ... | Authors: | Pagare, P.P, Safo, R.S, Gazi, A. | Deposit date: | 2017-02-10 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Ester and Ether Derivatives of Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease. Mol. Pharm., 14, 2017
|
|
6NPP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6npp by Molmil](/molmil-images/mine/6npp) | |
3OHF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ohf by Molmil](/molmil-images/mine/3ohf) | Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with bms-655295 aka n~3~-((1s,2r)-1- benzyl-2-hydroxy-3-((3-methoxybenzyl)amino)propyl)-n~1~, n~1~-dibutyl-1h-indole-1,3-dicarboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Muckelbauer, J.K. | Deposit date: | 2010-08-17 | Release date: | 2011-04-06 | Last modified: | 2017-03-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and SAR of indole-and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-1. Bioorg.Med.Chem.Lett., 21, 2011
|
|
3OI9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oi9 by Molmil](/molmil-images/mine/3oi9) | |
6NZH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nzh by Molmil](/molmil-images/mine/6nzh) | |
6NZQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nzq by Molmil](/molmil-images/mine/6nzq) | |