8G1U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g1u by Molmil](/molmil-images/mine/8g1u) | Structure of the methylosome-Lsm10/11 complex | Descriptor: | ADENOSINE, Methylosome protein 50, Methylosome subunit pICln, ... | Authors: | Lin, M, Paige, A, Tong, L. | Deposit date: | 2023-02-03 | Release date: | 2023-08-23 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | In vitro methylation of the U7 snRNP subunits Lsm11 and SmE by the PRMT5/MEP50/pICln methylosome. Rna, 29, 2023
|
|
8FG1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fg1 by Molmil](/molmil-images/mine/8fg1) | Human diaphanous inhibitory domain bound to diaphanous autoregulatory domain | Descriptor: | Protein diaphanous homolog 1 | Authors: | Ramirez, L.M.S, Theophall, G, Premo, A, Manigrasso, M, Yepuri, G, Burz, D, Ramasamy, R, Schmidt, A.M, Shekhtman, A. | Deposit date: | 2022-12-12 | Release date: | 2023-10-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Disruption of the productive encounter complex results in dysregulation of DIAPH1 activity. J.Biol.Chem., 299, 2023
|
|
5IPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ipz by Molmil](/molmil-images/mine/5ipz) | Crystal structure of human carbonic anhydrase isozyme IV with 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzenesulfonamide | Descriptor: | 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide, Carbonic anhydrase 4, ZINC ION | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2016-03-10 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
|
|
8UOB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uob by Molmil](/molmil-images/mine/8uob) | SARS-CoV-2 Papain-like protease (PLpro) with Inhibitor Jun12682 | Descriptor: | 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide, CHLORIDE ION, Papain-like protease nsp3, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Wang, J, Arnold, E. | Deposit date: | 2023-10-19 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
|
|
8UUG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uug by Molmil](/molmil-images/mine/8uug) | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12303 | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | Deposit date: | 2023-11-01 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
|
|
8UUH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uuh by Molmil](/molmil-images/mine/8uuh) | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199 | Descriptor: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | Deposit date: | 2023-11-01 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
|
|
8UUW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uuw by Molmil](/molmil-images/mine/8uuw) | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145 | Descriptor: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | Deposit date: | 2023-11-02 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
|
|
8UUF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uuf by Molmil](/molmil-images/mine/8uuf) | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun11941 | Descriptor: | ACETATE ION, CHLORIDE ION, N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, ... | Authors: | Ansari, A, Tan, B, Riuz, F.X, Arnold, E, Wang, J. | Deposit date: | 2023-11-01 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
|
|
6I04
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i04 by Molmil](/molmil-images/mine/6i04) | Crystal structure of Sema domain of the Met receptor in complex with FAB | Descriptor: | Fab heavy chain, Fab light chain, Hepatocyte growth factor receptor | Authors: | Casaletto, J.B, Geddie, M.L, Abu-Yousif, A.O, Masson, K, Fulgham, A, Boudot, A, Maiwald, T, Kearns, J.D, Kohli, N, Su, S, Razlog, M, Raue, A, Kalra, A, Hakansson, M, Logan, D.T, Welin, M, Chattopadhyay, S, Harms, B.D, Nielsen, U.B, Schoeberl, B, Lugovskoy, A.A, MacBeath, G. | Deposit date: | 2018-10-25 | Release date: | 2019-03-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | MM-131, a bispecific anti-Met/EpCAM mAb, inhibits HGF-dependent and HGF-independent Met signaling through concurrent binding to EpCAM. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
8UUY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uuy by Molmil](/molmil-images/mine/8uuy) | SARS-CoV-2 papain-like protease (PLpro) complex with inhibitor Jun12129 | Descriptor: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | Deposit date: | 2023-11-02 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
|
|
7ANK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ank by Molmil](/molmil-images/mine/7ank) | Crystal structure of sarcomeric protein FATZ-1 (d91-FATZ-1 construct) in complex with half dimer of alpha-actinin-2 | Descriptor: | Alpha-actinin-2, Myozenin-1 | Authors: | Sponga, A, Arolas, J.L, Rodriguez Chamorro, A, Mlynek, G, Hollerl, E, Schreiner, C, Pedron, M, Kostan, J, Ribeiro, E.A, Djinovic-Carugo, K. | Deposit date: | 2020-10-12 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.204 Å) | Cite: | Order from disorder in the sarcomere: FATZ forms a fuzzy but tight complex and phase-separated condensates with alpha-actinin. Sci Adv, 7, 2021
|
|
8UUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uuu by Molmil](/molmil-images/mine/8uuu) | SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162 | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | Deposit date: | 2023-11-02 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
|
|
8UUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uuv by Molmil](/molmil-images/mine/8uuv) | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12197 | Descriptor: | CHLORIDE ION, N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, Papain-like protease nsp3, ... | Authors: | Ansari, A, Tan, B, Arnold, E, Ruiz, F.X, Wang, J. | Deposit date: | 2023-11-02 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
|
|
8FCI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fci by Molmil](/molmil-images/mine/8fci) | tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Lavallee, T, Mehta, K, Young, A, Cortes, J, Isaacson, B, Brylewski, J, Schlegel, F, Doti, L, Battaile, K, Stojanoff, V, Perez, A, Bolen, R. | Deposit date: | 2022-12-01 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine To Be Published
|
|
8FCH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fch by Molmil](/molmil-images/mine/8fch) | Apo Structure of (N1G37) Methyltransferase from Mycobacterium avium | Descriptor: | tRNA (guanine-N(1)-)-methyltransferase | Authors: | Isaacson, B, Brylewski, J, Schlegel, F, Cortes, J, Lavallee, T, Mehta, K, Young, A, Doti, L, Battaile, K.P, Stojanoff, V, Perez, A, Bolen, R. | Deposit date: | 2022-12-01 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.956 Å) | Cite: | Apo structure of (N1G37) Methyltransferase from Mycobacterium avium. To Be Published
|
|
4XL5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xl5 by Molmil](/molmil-images/mine/4xl5) | X-ray structure of bGFP-A / EGFP complex | Descriptor: | Green fluorescent protein, bGFP-A | Authors: | Chevrel, A, Urvoas, A, Li de la Sierra-Gallay, I, Van Tilbeurgh, H, Minard, P, Valerio-Lepiniec, M. | Deposit date: | 2015-01-13 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Specific GFP-binding artificial proteins ( alpha Rep): a new tool for in vitro to live cell applications. Biosci.Rep., 35, 2015
|
|
6GJ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gj8 by Molmil](/molmil-images/mine/6gj8) | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH BI 2852 | Descriptor: | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | Deposit date: | 2018-05-16 | Release date: | 2019-07-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
8FMU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fmu by Molmil](/molmil-images/mine/8fmu) | Crystal structure of human Brachyury G177D variant in complex with SJF-4601 | Descriptor: | N-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)butanamido]-4-methoxybenzamide, T-box transcription factor T | Authors: | Bebenek, A, Linhares, B, Jaime-Figueroa, S, Butrin, A, Crews, C. | Deposit date: | 2022-12-24 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery and Development of the First Selective Brachyury Degrader To Be Published
|
|
6GOU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gou by Molmil](/molmil-images/mine/6gou) | Development of Alkyl Glycerone Phosphate Synthase Inhibitors: Complex with Inhibitor 2I | Descriptor: | (3~{S})-3-[2,6-bis(fluoranyl)phenyl]-~{N}-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide, Alkyldihydroxyacetonephosphate synthase, peroxisomal, ... | Authors: | Mattevi, A, Piano, V. | Deposit date: | 2018-06-04 | Release date: | 2019-01-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Development of alkyl glycerone phosphate synthase inhibitors: Structure-activity relationship and effects on ether lipids and epithelial-mesenchymal transition in cancer cells. Eur J Med Chem, 163, 2018
|
|
6XV0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xv0 by Molmil](/molmil-images/mine/6xv0) | lauric acid functionalized hexamolybdoaluminate bound to human serum albumin | Descriptor: | MYRISTIC ACID, Serum albumin, lauric acid functionalized hexamolybdoaluminate | Authors: | Bijelic, A, Dobrov, A, Roller, A, Rompel, A. | Deposit date: | 2020-01-21 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Binding of a Fatty Acid-Functionalized Anderson-Type Polyoxometalate to Human Serum Albumin. Inorg.Chem., 59, 2020
|
|
6WQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wqa by Molmil](/molmil-images/mine/6wqa) | 2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Lee, M.-Y, Geiger, J, Ishchenko, A, Han, G.W, Barty, A, White, T.A, Gati, C, Batyuk, A, Hunter, M.S, Aquila, A, Boutet, S, Weierstall, U, Cherezov, V, Liu, W. | Deposit date: | 2020-04-28 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase Iucrj, 7, 2020
|
|
8GVG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gvg by Molmil](/molmil-images/mine/8gvg) | The complex between public TCR TD08 and HLA-A24 bound to HIV-1 Nef138-8 (2F) peptide | Descriptor: | Beta-2-microglobulin, MHC class I antigen, TD08 TCR alpha chain, ... | Authors: | Gao, G.F, Shi, Y, Ma, K, Chai, Y, Guan, J, Qi, J, Tan, S, Dong, T, Iwamoto, A, Kawana-Tachikawa, A. | Deposit date: | 2022-09-15 | Release date: | 2022-10-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Molecular Basis for the Recognition of HIV Nef138-8 Epitope by a Pair of Human Public T Cell Receptors. J Immunol., 209, 2022
|
|
8GVB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gvb by Molmil](/molmil-images/mine/8gvb) | The complex between public TCR TD08 and HLA-A24 bound to HIV-1 Nef138-8 peptide | Descriptor: | 8-mer peptide from Protein Nef, Beta-2-microglobulin, MHC class I antigen, ... | Authors: | Gao, G.F, Shi, Y, Ma, K, Chai, Y, Guan, J, Qi, J, Tan, S, Dong, T, Iwamoto, A, Kawana-Tachikawa, A. | Deposit date: | 2022-09-14 | Release date: | 2022-10-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Molecular Basis for the Recognition of HIV Nef138-8 Epitope by a Pair of Human Public T Cell Receptors. J Immunol., 209, 2022
|
|
8GVI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gvi by Molmil](/molmil-images/mine/8gvi) | The complex between H25-11 TCR and HLA-A24 bound to HIV-1 Nef138-8 peptide | Descriptor: | 8-mer peptide from Protein Nef, Beta-2-microglobulin, H25-11 TCR alpha chain, ... | Authors: | Gao, G.F, Shi, Y, Tan, S, Ma, K, Chai, Y, Qi, J, Kawana-Tachikawa, A, Iwamoto, A, Dong, T, Guan, J. | Deposit date: | 2022-09-15 | Release date: | 2022-10-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Molecular Basis for the Recognition of HIV Nef138-8 Epitope by a Pair of Human Public T Cell Receptors. J Immunol., 209, 2022
|
|
5Y33
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y33 by Molmil](/molmil-images/mine/5y33) | |