8OI0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oi0 by Molmil](/molmil-images/mine/8oi0) | Structure of the Fmoc-Tau-PAM4 Type 4 amyloid fibril | Descriptor: | Microtubule-associated protein tau | Authors: | Wilkinson, M, Louros, N, Tsaka, G, Ramakers, M, Morelli, C, Garcia, T, Gallardo, R.U, D'Haeyer, S, Goossens, V, Audenaert, D, Thal, D.R, Ranson, N.A, Radford, S.E, Rousseau, F, Schymkowitz, J. | Deposit date: | 2023-03-21 | Release date: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Local structural preferences in shaping tau amyloid polymorphism. Nat Commun, 15, 2024
|
|
6REO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6reo by Molmil](/molmil-images/mine/6reo) | Crystal structure of 3fPizza6-SH with Sulphate ion | Descriptor: | 3fPizza6-SH, SULFATE ION | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | Deposit date: | 2019-04-12 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Artificial beta-Propeller Protein-based Hydrolases To Be Published
|
|
8OHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ohp by Molmil](/molmil-images/mine/8ohp) | Structure of the Fmoc-Tau-PAM4 Type 3 amyloid fibril | Descriptor: | Microtubule-associated protein tau | Authors: | Wilkinson, M, Louros, N, Tsaka, G, Ramakers, M, Morelli, C, Garcia, T, Gallardo, R.U, D'Haeyer, S, Goossens, V, Audenaert, D, Thal, D.R, Ranson, N.A, Radford, S.E, Rousseau, F, Schymkowitz, J. | Deposit date: | 2023-03-21 | Release date: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Local structural preferences in shaping tau amyloid polymorphism. Nat Commun, 15, 2024
|
|
6Q2V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q2v by Molmil](/molmil-images/mine/6q2v) | |
7K45
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k45 by Molmil](/molmil-images/mine/7k45) | |
8A7D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a7d by Molmil](/molmil-images/mine/8a7d) | Partial dimer complex of PAPP-A and its inhibitor STC2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Pappalysin-1, ... | Authors: | Kobbero, S.D, Gajhede, M, Mirza, O.A, Boesen, T, Oxvig, C. | Deposit date: | 2022-06-20 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Structure of the proteolytic enzyme PAPP-A with the endogenous inhibitor stanniocalcin-2 reveals its inhibitory mechanism. Nat Commun, 13, 2022
|
|
8FCB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fcb by Molmil](/molmil-images/mine/8fcb) | Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK1016790A | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, ... | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | Deposit date: | 2022-12-01 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease. Nat Commun, 14, 2023
|
|
6FJF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fjf by Molmil](/molmil-images/mine/6fjf) | Tubulin-FcMaytansine complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Menchon, G, Prota, A.E, Lucena Angell, D, Bucher, P, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O. | Deposit date: | 2018-01-22 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin. Nat Commun, 9, 2018
|
|
4WPB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wpb by Molmil](/molmil-images/mine/4wpb) | Vascular endothelial growth factor in complex with alpha/beta-VEGF-1 | Descriptor: | Vascular endothelial growth factor A, alpha/beta-VEGF-1 | Authors: | Kreitler, D.F, Checco, J.W, Gellman, S.H, Forest, K.T. | Deposit date: | 2014-10-17 | Release date: | 2015-04-15 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Targeting diverse protein-protein interaction interfaces with alpha / beta-peptides derived from the Z-domain scaffold. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
7OFP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ofp by Molmil](/molmil-images/mine/7ofp) | Apo Structure of Mu2 Adaptin Subunit (Ap50) Of AP2 Clathrin Adaptor | Descriptor: | AP-2 complex subunit mu, CITRIC ACID, GLYCEROL | Authors: | Zaccai, N.R, Kelly, B.T, Evans, P.R, Owen, D.J. | Deposit date: | 2021-05-05 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | FCHO controls AP2's initiating role in endocytosis through a PtdIns(4,5)P 2 -dependent switch. Sci Adv, 8, 2022
|
|
5NME
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nme by Molmil](/molmil-images/mine/5nme) | 868 TCR in complex with HLA A02 presenting SLYNTVATL | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | Deposit date: | 2017-04-05 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Dual Molecular Mechanisms Govern Escape at Immunodominant HLA A2-Restricted HIV Epitope. Front Immunol, 8, 2017
|
|
6QA3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qa3 by Molmil](/molmil-images/mine/6qa3) | ERK2 mini-fragment binding | Descriptor: | Mitogen-activated protein kinase 1, PYRAZOLE, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
|
|
7SXN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sxn by Molmil](/molmil-images/mine/7sxn) | Orb2A residues 1-9 MYNKFVNFI | Descriptor: | Orb2A residues 1-9 MYNKFVNFI | Authors: | Bowler, J.T, Sawaya, M.R, Boyer, D.R, Cascio, D, Eisenberg, D.S. | Deposit date: | 2021-11-23 | Release date: | 2022-10-05 | Last modified: | 2024-05-22 | Method: | ELECTRON CRYSTALLOGRAPHY (1.05 Å) | Cite: | Micro-electron diffraction structure of the aggregation-driving N terminus of Drosophila neuronal protein Orb2A reveals amyloid-like beta-sheets. J.Biol.Chem., 298, 2022
|
|
4WXR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wxr by Molmil](/molmil-images/mine/4wxr) | |
6W2C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w2c by Molmil](/molmil-images/mine/6w2c) | Anomalous iodine signal reveals the position of I-paroxetine complexed with the serotonin transporter at the central site | Descriptor: | 8B6 heavy chain antibody fragment, 8B6 light chain antibody fragment, I-paroxetine, ... | Authors: | Coleman, J.A, Navratna, V, Yang, D. | Deposit date: | 2020-03-05 | Release date: | 2020-03-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (6.3 Å) | Cite: | Chemical and structural investigation of the paroxetine-human serotonin transporter complex. Elife, 9, 2020
|
|
6RD1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rd1 by Molmil](/molmil-images/mine/6rd1) | Ruminococcus gnavus sialic acid aldolase catalytic lysine mutant in complex with sialic acid | Descriptor: | 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, Putative N-acetylneuraminate lyase | Authors: | Owen, C.D, Bell, A, Juge, N, Walsh, M.A. | Deposit date: | 2019-04-12 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut. Nat Microbiol, 4, 2019
|
|
5AFL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5afl by Molmil](/molmil-images/mine/5afl) | alpha7-AChBP in complex with lobeline and fragment 3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN, NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-7, ... | Authors: | Spurny, R, Debaveye, S, Farinha, A, Veys, K, Gossas, T, Atack, J, Bertrand, D, Kemp, J, Vos, A, Danielson, U.H, Tresadern, G, Ulens, C. | Deposit date: | 2015-01-22 | Release date: | 2015-05-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.385 Å) | Cite: | Molecular Blueprint of Allosteric Binding Sites in a Homologue of the Agonist-Binding Domain of the Alpha7 Nicotinic Acetylcholine Receptor. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
6C2W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c2w by Molmil](/molmil-images/mine/6c2w) | Crystal structure of human prothrombin mutant S101C/A470C | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Prothrombin, ... | Authors: | Chinnaraj, M, Chen, Z, Pelc, L, Grese, Z, Bystranowska, D, Di Cera, E, Pozzi, N. | Deposit date: | 2018-01-09 | Release date: | 2018-02-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (4.12 Å) | Cite: | Structure of prothrombin in the closed form reveals new details on the mechanism of activation. Sci Rep, 8, 2018
|
|
7K93
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k93 by Molmil](/molmil-images/mine/7k93) | |
6G66
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g66 by Molmil](/molmil-images/mine/6g66) | |
7KCR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kcr by Molmil](/molmil-images/mine/7kcr) | Cryo-EM structure of Zika virus in complex with E protein cross-linking human monoclonal antibody ADI30056 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADI30056 Fab heavy chain variable region, ADI30056 Fab light chain variable region, ... | Authors: | Sevvana, M, Rogers, T.F, Miller, A.S, Long, F, Klose, T, Beutler, N, Lai, Y.C, Parren, M, Walker, L.M, Buda, G, Burton, D.R, Rossmann, M.G, Kuhn, R.J. | Deposit date: | 2020-10-07 | Release date: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural Basis of Zika Virus Specific Neutralization in Subsequent Flavivirus Infections. Viruses, 12, 2020
|
|
8UM3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8um3 by Molmil](/molmil-images/mine/8um3) | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 6-chlorotetrazolo[1,5-b]pyridazine, ... | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-10-17 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.925 Å) | Cite: | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992 To Be Published
|
|
6Q84
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q84 by Molmil](/molmil-images/mine/6q84) | Crystal structure of RanGTP-Pdr6-eIF5A export complex | Descriptor: | Eukaryotic translation initiation factor 5A-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Aksu, M, Trakhanov, S, Vera-Rodriguez, A, Gorlich, D. | Deposit date: | 2018-12-14 | Release date: | 2019-05-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structural basis for the nuclear import and export functions of the biportin Pdr6/Kap122. J.Cell Biol., 218, 2019
|
|
7ACQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7acq by Molmil](/molmil-images/mine/7acq) | CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747 | Descriptor: | (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kessler, D. | Deposit date: | 2020-09-11 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI00925747 To Be Published
|
|
7TIV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tiv by Molmil](/molmil-images/mine/7tiv) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB48 | Descriptor: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
|
|