8CER
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cer by Molmil](/molmil-images/mine/8cer) | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO494 | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-naphthalen-1-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | Authors: | Klima, M, Silhan, J, Boura, E. | Deposit date: | 2023-02-02 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
|
|
8CEQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ceq by Molmil](/molmil-images/mine/8ceq) | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO427 | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | Authors: | Klima, M, Silhan, J, Boura, E. | Deposit date: | 2023-02-02 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
|
|
8CES
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ces by Molmil](/molmil-images/mine/8ces) | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO500 | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[2-(1~{H}-benzimidazol-2-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | Authors: | Klima, M, Silhan, J, Boura, E. | Deposit date: | 2023-02-02 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
|
|
8CET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cet by Molmil](/molmil-images/mine/8cet) | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO507 | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | Authors: | Klima, M, Silhan, J, Boura, E. | Deposit date: | 2023-02-02 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
|
|
8C0V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c0v by Molmil](/molmil-images/mine/8c0v) | Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate in single seam state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ruettermann, M, Koci, M, Lill, P, Geladas, E.D, Kaschani, F, Klink, B.U, Erdmann, R, Gatsogiannis, C. | Deposit date: | 2022-12-19 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate. Nat Commun, 14, 2023
|
|
8C0W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c0w by Molmil](/molmil-images/mine/8c0w) | Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate in twin seam state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ruettermann, M, Koci, M, Lill, P, Geladas, E.D, Kaschani, F, Klink, B.U, Erdmann, R, Gatsogiannis, C. | Deposit date: | 2022-12-19 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate. Nat Commun, 14, 2023
|
|
8C3J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c3j by Molmil](/molmil-images/mine/8c3j) | Stapled peptide SP2 in complex with humanised RadA mutant HumRadA22 | Descriptor: | 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid, Breast cancer type 2 susceptibility protein, DNA repair and recombination protein RadA | Authors: | Pantelejevs, T, Hyvonen, M. | Deposit date: | 2022-12-26 | Release date: | 2023-11-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase. Chem Sci, 14, 2023
|
|
1PIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pis by Molmil](/molmil-images/mine/1pis) | SOLUTION STRUCTURE OF PORCINE PANCREATIC PHOSPHOLIPASE A2 | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Van Den Berg, B.D, Tessari, M, De Haas, G.H, Verheij, H.M, Boelens, R, Kaptein, R. | Deposit date: | 1994-12-22 | Release date: | 1995-06-03 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of porcine pancreatic phospholipase A2. EMBO J., 14, 1995
|
|
5F74
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f74 by Molmil](/molmil-images/mine/5f74) | Crystal structure of ChREBP:14-3-3 complex bound with AMP | Descriptor: | 14-3-3 protein beta/alpha, ADENOSINE MONOPHOSPHATE, Carbohydrate-responsive element-binding protein | Authors: | Jung, H, Uyeda, K. | Deposit date: | 2015-12-07 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Metabolite Regulation of Nuclear Localization of Carbohydrate-response Element-binding Protein (ChREBP): ROLE OF AMP AS AN ALLOSTERIC INHIBITOR. J.Biol.Chem., 291, 2016
|
|
4CIL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cil by Molmil](/molmil-images/mine/4cil) | |
7NWV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nwv by Molmil](/molmil-images/mine/7nwv) | Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY Tagged Cyclophellitol activity based probe | Descriptor: | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol, 1,2-ETHANEDIOL, 1-deoxy-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2021-03-17 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases. Chem Sci, 14, 2023
|
|
6C0Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c0y by Molmil](/molmil-images/mine/6c0y) | |
8I4Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i4z by Molmil](/molmil-images/mine/8i4z) | CalA3 with hydrolysis product | Descriptor: | 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, Beta-ketoacyl-acyl-carrier-protein synthase I | Authors: | Wang, J, Wang, Z. | Deposit date: | 2023-01-21 | Release date: | 2023-02-22 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | C-N bond formation by a polyketide synthase. Nat Commun, 14, 2023
|
|
8I4Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i4y by Molmil](/molmil-images/mine/8i4y) | CalA3 complex structure with amidation product | Descriptor: | 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, 3-HYDROXYANTHRANILIC ACID, Beta-ketoacyl-acyl-carrier-protein synthase I | Authors: | Wang, J, Wang, Z. | Deposit date: | 2023-01-21 | Release date: | 2023-02-22 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.84 Å) | Cite: | C-N bond formation by a polyketide synthase. Nat Commun, 14, 2023
|
|
6TM8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tm8 by Molmil](/molmil-images/mine/6tm8) | Crystal structure of glycoprotein D of Equine Herpesvirus Type 4 | Descriptor: | Envelope glycoprotein D, GLYCEROL | Authors: | Kremling, V, Loll, B, Osterrieder, N, Wahl, M, Dahmani, I, Chiantia, P, Azab, W. | Deposit date: | 2019-12-03 | Release date: | 2020-11-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of glycoprotein D of equine alphaherpesviruses reveal potential binding sites to the entry receptor MHC-I. Front Microbiol, 14, 2023
|
|
8IC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ic6 by Molmil](/molmil-images/mine/8ic6) | exo-beta-D-arabinanase ExoMA2 from Microbacterium arabinogalactanolyticum in complex with Tris | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Fukushima, R, Kashima, T, Ishiwata, A, Fujita, K, Fushinobu, S. | Deposit date: | 2023-02-10 | Release date: | 2023-08-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria. Nat Commun, 14, 2023
|
|
8IC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ic7 by Molmil](/molmil-images/mine/8ic7) | exo-beta-D-arabinofuranosidase ExoMA2 from Microbacterium arabinogalactanolyticum in complex with beta-D-arabinofuranose | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Fukushima, R, Kashima, T, Ishiwata, A, Fujita, K, Fushinobu, S. | Deposit date: | 2023-02-11 | Release date: | 2023-08-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria. Nat Commun, 14, 2023
|
|
8HXC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hxc by Molmil](/molmil-images/mine/8hxc) | Cryo-EM structure of MPXV M2 heptamer in complex with human B7.2 | Descriptor: | NFkB inhibitor, T-lymphocyte activation antigen CD86 | Authors: | Wang, Y, Yang, S, Zhao, H, Deng, Z. | Deposit date: | 2023-01-04 | Release date: | 2023-08-30 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2. Nat Commun, 14, 2023
|
|
6TKX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tkx by Molmil](/molmil-images/mine/6tkx) | Carbohydrate esterase from gut microbiota | Descriptor: | Carbohydrate esterase, SULFATE ION | Authors: | Penttinen, L, Hakulinen, N, Master, R.E. | Deposit date: | 2019-11-29 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Polysaccharide utilization loci-driven enzyme discovery reveals BD-FAE: a bifunctional feruloyl and acetyl xylan esterase active on complex natural xylans. Biotechnol Biofuels, 14, 2021
|
|
6YGJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ygj by Molmil](/molmil-images/mine/6ygj) | |
5HF3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hf3 by Molmil](/molmil-images/mine/5hf3) | Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma | Descriptor: | 14-3-3 protein sigma, modified Tau peptide | Authors: | Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C. | Deposit date: | 2016-01-06 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
4Y5I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y5i by Molmil](/molmil-images/mine/4y5i) | Crystal structure of C-terminal modified Tau peptide-hybrid 126B with 14-3-3sigma | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Microtubule-associated protein tau | Authors: | Leysen, S, Bartel, M, Milroy, L, Brunsveld, L, Ottmann, C. | Deposit date: | 2015-02-11 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
5J31
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j31 by Molmil](/molmil-images/mine/5j31) | Crystal structure of 14-3-3zeta in complex with an alkyne cross-linked cyclic peptide derived from ExoS | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, Exoenzyme S | Authors: | Wallraven, K, Cromm, P, Bier, D, Glas, A, Grossmann, T. | Deposit date: | 2016-03-30 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Constraining an Irregular Peptide Secondary Structure through Ring-Closing Alkyne Metathesis. Chembiochem, 17, 2016
|
|
4V55
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v55 by Molmil](/molmil-images/mine/4v55) | Crystal structure of the bacterial ribosome from Escherichia coli in complex with gentamicin and ribosome recycling factor (RRF). | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 16S rRNA, 23S rRNA, ... | Authors: | Borovinskaya, M.A, Pai, R.D, Zhang, W, Schuwirth, B.-S, Holton, J.M, Hirokawa, G, Kaji, H, Kaji, A, Cate, J.H.D. | Deposit date: | 2007-06-17 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structural basis for aminoglycoside inhibition of bacterial ribosome recycling. Nat.Struct.Mol.Biol., 14, 2007
|
|
4V53
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v53 by Molmil](/molmil-images/mine/4v53) | Crystal structure of the bacterial ribosome from Escherichia coli in complex with gentamicin. | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 16S rRNA, 23S rRNA, ... | Authors: | Borovinskaya, M.A, Pai, R.D, Zhang, W, Schuwirth, B.-S, Holton, J.M, Hirokawa, G, Kaji, H, Kaji, A, Cate, J.H.D. | Deposit date: | 2007-06-16 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.54 Å) | Cite: | Structural basis for aminoglycoside inhibition of bacterial ribosome recycling. Nat.Struct.Mol.Biol., 14, 2007
|
|