4Z62
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z62 by Molmil](/molmil-images/mine/4z62) | The plant peptide hormone free receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine receptor 1 | Authors: | Chai, J, Wang, J, Han, Z. | Deposit date: | 2015-04-03 | Release date: | 2016-03-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine Nature, 525, 2015
|
|
3PYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pyy by Molmil](/molmil-images/mine/3pyy) | Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site | Descriptor: | (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ... | Authors: | Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B. | Deposit date: | 2010-12-13 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site. Chem.Biol., 18, 2011
|
|
5BWO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bwo by Molmil](/molmil-images/mine/5bwo) | Crystal Structure of Human SIRT3 in Complex with a Palmitoyl H3K9 Peptide | Descriptor: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, PALMITIC ACID, ... | Authors: | Gai, W, Jiang, H, Liu, D. | Deposit date: | 2015-06-08 | Release date: | 2016-07-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.376 Å) | Cite: | Crystal structures of SIRT3 reveal that the alpha 2-alpha 3 loop and alpha 3-helix affect the interaction with long-chain acyl lysine. Febs Lett., 590, 2016
|
|
7WW2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ww2 by Molmil](/molmil-images/mine/7ww2) | Structure of an Isocytosine specific deaminase Vcz | Descriptor: | 8-oxoguanine deaminase, ZINC ION | Authors: | Li, X.J, Wu, B.X. | Deposit date: | 2022-02-12 | Release date: | 2023-02-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy. Iscience, 26, 2023
|
|
5D0O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d0o by Molmil](/molmil-images/mine/5d0o) | BamABCDE complex, outer membrane beta barrel assembly machinery entire complex | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C. | Deposit date: | 2015-08-03 | Release date: | 2016-03-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of outer membrane protein insertion by the BAM complex. Nature, 531, 2016
|
|
8VSG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vsg by Molmil](/molmil-images/mine/8vsg) | SARS-CoV-2 main protease with covalent inhibitor | Descriptor: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-(1-phenylcyclopropane-1-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Bell, J.A, Bandera, A.M. | Deposit date: | 2024-01-24 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.071 Å) | Cite: | Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity. Bioorg.Med.Chem., 103, 2024
|
|
5D0Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d0q by Molmil](/molmil-images/mine/5d0q) | BamACDE complex, outer membrane beta-barrel assembly machinery (BAM) complex | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, Outer membrane protein assembly factor BamD, ... | Authors: | Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C. | Deposit date: | 2015-08-03 | Release date: | 2016-03-09 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural basis of outer membrane protein insertion by the BAM complex. Nature, 531, 2016
|
|
8WYD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wyd by Molmil](/molmil-images/mine/8wyd) | Cryo-EM structure of DSR2-DSAD1 complex | Descriptor: | Bacillus phage SPbeta DSAD1 protein, SIR2 family protein | Authors: | Zhang, J.T, Jia, N, Liu, X.Y. | Deposit date: | 2023-10-30 | Release date: | 2024-04-10 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system. Nat Commun, 15, 2024
|
|
8WYE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wye by Molmil](/molmil-images/mine/8wye) | Cryo-EM structure of DSR2-DSAD1 (partial) complex | Descriptor: | Bacillus phage SPbeta DSAD1 protein, SIR2 family protein | Authors: | Zhang, J.T, Jia, N, Liu, X.Y. | Deposit date: | 2023-10-30 | Release date: | 2024-04-10 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system. Nat Commun, 15, 2024
|
|
8WY9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wy9 by Molmil](/molmil-images/mine/8wy9) | |
5XP6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xp6 by Molmil](/molmil-images/mine/5xp6) | native structure of NDM-1 crystallized at pH5.5 | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ... | Authors: | Zhang, H, Ma, G, Lai, J, Sun, H. | Deposit date: | 2017-06-01 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors Nat Commun, 9, 2018
|
|
8WYA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wya by Molmil](/molmil-images/mine/8wya) | Cryo-EM structure of DSR2-tube complex | Descriptor: | Bacillus phage SPbeta tube protein, SIR2 family protein | Authors: | Zhang, J.T, Jia, N, Liu, X.Y. | Deposit date: | 2023-10-30 | Release date: | 2024-04-10 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system. Nat Commun, 15, 2024
|
|
5XP9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xp9 by Molmil](/molmil-images/mine/5xp9) | Crystal structure of Bismuth bound NDM-1 | Descriptor: | Bismuth(III) ION, GLYCEROL, Metallo-beta-lactamase type 2 | Authors: | Zhang, H, Ma, G, Lai, T.P, Sun, H. | Deposit date: | 2017-06-01 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors Nat Commun, 9, 2018
|
|
5BWN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bwn by Molmil](/molmil-images/mine/5bwn) | Crystal Structure of SIRT3 with a H3K9 Peptide Containing a Myristoyl Lysine | Descriptor: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ... | Authors: | Gai, W, Liu, D. | Deposit date: | 2015-06-08 | Release date: | 2016-07-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.942 Å) | Cite: | Crystal structures of SIRT3 reveal that the alpha 2-alpha 3 loop and alpha 3-helix affect the interaction with long-chain acyl lysine. Febs Lett., 590, 2016
|
|
7U5B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7u5b by Molmil](/molmil-images/mine/7u5b) | Structure of Human KLK5 bound to anti-KLK5 Fab | Descriptor: | Kallikrein-5, SULFATE ION, anti-KLK5 Fab Heavy Chain, ... | Authors: | Yin, J, Sudhamsu, J. | Deposit date: | 2022-03-02 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.371 Å) | Cite: | Dual antibody inhibition of KLK5 and KLK7 for Netherton syndrome and atopic dermatitis. Sci Transl Med, 14, 2022
|
|
6JLO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jlo by Molmil](/molmil-images/mine/6jlo) | XFEL structure of cyanobacterial photosystem II (2F state, dataset2) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
|
|
5GTU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gtu by Molmil](/molmil-images/mine/5gtu) | |
6JLL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jll by Molmil](/molmil-images/mine/6jll) | XFEL structure of cyanobacterial photosystem II (2F state, dataset1) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
|
|
3L5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l5t by Molmil](/molmil-images/mine/3l5t) | |
3L5R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l5r by Molmil](/molmil-images/mine/3l5r) | |
8GL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gl9 by Molmil](/molmil-images/mine/8gl9) | Co-crystal structure of caPCNA bound to AOH1160 derivative 1LE | Descriptor: | CHLORIDE ION, N~2~-(naphthalene-1-carbonyl)-N-(2-phenoxyphenyl)-L-alpha-glutamine, Proliferating cell nuclear antigen | Authors: | Jossart, J, Kenjic, N, Malkas, L.H, Hickey, R.J, Perry, J.J. | Deposit date: | 2023-03-21 | Release date: | 2023-07-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Small molecule targeting of transcription-replication conflict for selective chemotherapy. Cell Chem Biol, 30, 2023
|
|
8GLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gla by Molmil](/molmil-images/mine/8gla) | |
3L5U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l5u by Molmil](/molmil-images/mine/3l5u) | |
3L5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l5s by Molmil](/molmil-images/mine/3l5s) | |
7JQD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jqd by Molmil](/molmil-images/mine/7jqd) | Crystal Structure of PAC1r in complex with peptide antagonist | Descriptor: | Peptide-43, Pituitary adenylate cyclase-activating polypeptide type I receptor | Authors: | Piper, D.E, Hu, E, Fang-Tsao, H. | Deposit date: | 2020-08-10 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Selective Pituitary Adenylate Cyclase 1 Receptor (PAC1R) Antagonist Peptides Potent in a Maxadilan/PACAP38-Induced Increase in Blood Flow Pharmacodynamic Model. J.Med.Chem., 64, 2021
|
|