3FT8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ft8 by Molmil](/molmil-images/mine/3ft8) | Structure of HSP90 bound with a noval fragment. | Descriptor: | (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime, Heat shock protein HSP 90-alpha | Authors: | Barker, J.B, Cheng, R.K.Y, Palan, S, Felicetti, B. | Deposit date: | 2009-01-12 | Release date: | 2009-06-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-based identification of Hsp90 inhibitors. Chemmedchem, 4, 2009
|
|
6PZE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pze by Molmil](/molmil-images/mine/6pze) | |
6PZF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pzf by Molmil](/molmil-images/mine/6pzf) | |
6Z1I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z1i by Molmil](/molmil-images/mine/6z1i) | |
6Z1O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z1o by Molmil](/molmil-images/mine/6z1o) | |
6PV9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pv9 by Molmil](/molmil-images/mine/6pv9) | |
6CF7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cf7 by Molmil](/molmil-images/mine/6cf7) | |
6PZG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pzg by Molmil](/molmil-images/mine/6pzg) | Crystal structure of human NA-80 Fab | Descriptor: | NA-80 Fab heavy chain, NA-80 Fab light chain | Authors: | Zhu, X, Wilson, I.A. | Deposit date: | 2019-07-31 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies. Cell Host Microbe, 26, 2019
|
|
6PZZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pzz by Molmil](/molmil-images/mine/6pzz) | CryoEM derived model of NA-80 Fab in complex with N9 Shanghai2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NA-80 fragment antibody heavy chain, ... | Authors: | Ward, A.B, Turner, H.L, Zhu, X. | Deposit date: | 2019-08-01 | Release date: | 2019-12-04 | Last modified: | 2023-04-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies. Cell Host Microbe, 26, 2019
|
|
6PZH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pzh by Molmil](/molmil-images/mine/6pzh) | Crystal structure of human NA-22 Fab | Descriptor: | NA-22 Fab heavy chain, NA-22 Fab light chain | Authors: | Zhu, X, Wilson, I.A. | Deposit date: | 2019-07-31 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies. Cell Host Microbe, 26, 2019
|
|
6I9R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i9r by Molmil](/molmil-images/mine/6i9r) | Large subunit of the human mitochondrial ribosome in complex with Virginiamycin M and Quinupristin | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | Authors: | Modelska, A, Aibara, S, Amunts, A. | Deposit date: | 2018-11-25 | Release date: | 2020-07-08 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Inhibition of mitochondrial translation suppresses glioblastoma stem cell growth. Cell Rep, 35, 2021
|
|
6PZY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pzy by Molmil](/molmil-images/mine/6pzy) | CryoEM derived model of NA-73 Fab in complex with N9 Shanghai2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NA-73 fragment antibody heavy chain, ... | Authors: | Ward, A.B, Turner, H.L, Zhu, X. | Deposit date: | 2019-08-01 | Release date: | 2019-12-04 | Last modified: | 2023-04-05 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies. Cell Host Microbe, 26, 2019
|
|
6CK9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ck9 by Molmil](/molmil-images/mine/6ck9) | |
6O0A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o0a by Molmil](/molmil-images/mine/6o0a) | |
5M05
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m05 by Molmil](/molmil-images/mine/5m05) | Chicken smooth muscle myosin motor domain co-crystallized with the specific CK-571 inhibitor, MgADP form | Descriptor: | 4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-O-(isoquinolin-3-ylcarbamoyl)-D-erythro-pentitol, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sirigu, S, Hartman, J, Houdusse, A. | Deposit date: | 2016-10-03 | Release date: | 2016-11-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.675 Å) | Cite: | Highly selective inhibition of myosin motors provides the basis of potential therapeutic application. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
6CFG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cfg by Molmil](/molmil-images/mine/6cfg) | |
1GWX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gwx by Molmil](/molmil-images/mine/1gwx) | MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | Descriptor: | 2-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-PHENYL)-ETHYL]-3-(2,3-DICHLORO-PHENYL)-UREIDO]-PROPYL}-PHENOXY)-2-METHYL-PROPIONIC ACID, PROTEIN (PPAR-DELTA) | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Park, D.J, Blanchard, S, Brown, P, Sternbach, D, Lehmann, J, Bruce, G.W, Willson, T.M, Kliewer, S.A, Milburn, M.V. | Deposit date: | 1999-03-17 | Release date: | 2000-03-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors. Mol.Cell, 3, 1999
|
|
7MVS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mvs by Molmil](/molmil-images/mine/7mvs) | DNA gyrase complexed with uncleaved DNA and Compound 7 to 2.6A resolution | Descriptor: | (1S)-2-[(2r,5S)-5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino}-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethan-1-ol, CHLORIDE ION, DNA (5'-D(P*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | Authors: | Ratigan, S.C, McElroy, C.A. | Deposit date: | 2021-05-15 | Release date: | 2021-10-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.60137153 Å) | Cite: | Optimization of TopoIV Potency, ADMET Properties, and hERG Inhibition of 5-Amino-1,3-dioxane-Linked Novel Bacterial Topoisomerase Inhibitors: Identification of a Lead with In Vivo Efficacy against MRSA. J.Med.Chem., 64, 2021
|
|
5XRQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xrq by Molmil](/molmil-images/mine/5xrq) | Crystal structure of human monoclonal antibody H3v-47 | Descriptor: | Fab H3v-47 heavy chain, Fab H3v-47 light chain | Authors: | Zhang, H, Willson, I.A. | Deposit date: | 2017-06-09 | Release date: | 2018-07-25 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A multifunctional human monoclonal neutralizing antibody that targets a unique conserved epitope on influenza HA. Nat Commun, 9, 2018
|
|
5OVZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ovz by Molmil](/molmil-images/mine/5ovz) | High resolution structure of the PBP NocT in complex with nopaline | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid, ... | Authors: | Vigouroux, A, Morera, S. | Deposit date: | 2017-08-30 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host. Plos Pathog., 10, 2014
|
|
7KFA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kfa by Molmil](/molmil-images/mine/7kfa) | PCSK9 in complex with PCSK9i a 13mer cyclic peptide LDLR disruptor | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, ... | Authors: | Chopra, R, Xu, M, Spraggon, G. | Deposit date: | 2020-10-13 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Identification of a PCSK9-LDLR disruptor peptide with in vivo function. Cell Chem Biol, 29, 2022
|
|
5XRS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xrs by Molmil](/molmil-images/mine/5xrs) | |
5XRT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xrt by Molmil](/molmil-images/mine/5xrt) | Crystal structure of A/Minnesota/11/2010 (H3N2) influenza virus hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, H, Wilson, I.A. | Deposit date: | 2017-06-09 | Release date: | 2018-07-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | A multifunctional human monoclonal neutralizing antibody that targets a unique conserved epitope on influenza HA. Nat Commun, 9, 2018
|
|
7KEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kev by Molmil](/molmil-images/mine/7kev) | PCSK9 in complex with a cyclic peptide LDLR disruptor | Descriptor: | CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9 Propeptide, ... | Authors: | Spraggon, G, Chopra, R. | Deposit date: | 2020-10-12 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of a PCSK9-LDLR disruptor peptide with in vivo function. Cell Chem Biol, 29, 2022
|
|
7NUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nue by Molmil](/molmil-images/mine/7nue) | Crystal structure of mouse PRMT6 in complex with inhibitor EML736 | Descriptor: | Protein arginine N-methyltransferase 6, methyl 6-[5-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate | Authors: | Bonnefond, L, Cavarelli, J. | Deposit date: | 2021-03-11 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach. J.Med.Chem., 65, 2022
|
|