7SMV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7smv by Molmil](/molmil-images/mine/7smv) | Crystallization of feline coronavirus Mpro with GC376 reveals mechanism of inhibition | Descriptor: | 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-10-26 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystallization of Feline Coronavirus M pro With GC376 Reveals Mechanism of Inhibition. Front Chem, 10, 2022
|
|
8HOV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hov by Molmil](/molmil-images/mine/8hov) | |
7R7H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r7h by Molmil](/molmil-images/mine/7r7h) | Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors | Descriptor: | 3C-like proteinase, N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-06-24 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors. Rsc Med Chem, 12, 2021
|
|
7FDA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fda by Molmil](/molmil-images/mine/7fda) | CryoEM Structure of Reconstituted V-ATPase, state1 | Descriptor: | Fusion of yeast V-type proton ATPase subunit H(NT) and human V-type proton ATPase subunit H(CT), V-type proton ATPase subunit B, V-type proton ATPase subunit C, ... | Authors: | Khan, M.M, Lee, S, Oot, R.A, Couoh-Cardel, S, KIm, H, Wilkens, S, Roh, S.H. | Deposit date: | 2021-07-16 | Release date: | 2021-12-22 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | CryoEM Structures of Reconstituted V-ATPase and Oxr1-bound V1 Reveal a Novel Mechanism of Regulation. Embo J., 2021
|
|
7FDC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fdc by Molmil](/molmil-images/mine/7fdc) | CryoEM Structures of Reconstituted V-ATPase, state3 | Descriptor: | Fusion of yeast V-type proton ATPase subunit H(NT) and human V-type proton ATPase subunit H(CT), V-type proton ATPase subunit B, V-type proton ATPase subunit C, ... | Authors: | Khan, M.M, Lee, S, Oot, R.A, Couoh-Cardel, S, KIm, H, Wilkens, S, Roh, S.H. | Deposit date: | 2021-07-16 | Release date: | 2021-12-22 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | CryoEM Structures of Reconstituted V-ATPase and Oxr1-bound V1 Reveal a Novel Mechanism of Regulation. Embo J., 2021
|
|
7FDB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fdb by Molmil](/molmil-images/mine/7fdb) | CryoEM Structures of Reconstituted V-ATPase,State2 | Descriptor: | Fusion of yeast V-type proton ATPase subunit H(NT) and human V-type proton ATPase subunit H(CT), V-type proton ATPase subunit B, V-type proton ATPase subunit C, ... | Authors: | Khan, M.M, Lee, S, Oot, R.A, Couoh-Cardel, S, KIm, H, Wilkens, S, Roh, S.H. | Deposit date: | 2021-07-16 | Release date: | 2021-12-22 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | CryoEM Structures of Reconstituted V-ATPase and Oxr1-bound V1 Reveal a Novel Mechanism of Regulation. Embo J., 2021
|
|
7FDE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fde by Molmil](/molmil-images/mine/7fde) | CryoEM Structures of Reconstituted V-ATPase, Oxr1 bound V1 | Descriptor: | Oxidation resistance protein 1, V-type proton ATPase subunit B, V-type proton ATPase subunit C, ... | Authors: | Khan, M.M, Lee, S, Oot, R.A, Couoh-Cardel, S, KIm, H, Wilkens, S, Roh, S.H. | Deposit date: | 2021-07-16 | Release date: | 2021-12-29 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | CryoEM Structures of Reconstituted V-ATPase and Oxr1-bound V1 Reveal a Novel Mechanism of Regulation. Embo J., 2021
|
|
7SNA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sna by Molmil](/molmil-images/mine/7sna) | Crystallization of feline coronavirus Mpro with GC376 reveals mechanism of inhibition | Descriptor: | 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-10-27 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystallization of Feline Coronavirus M pro With GC376 Reveals Mechanism of Inhibition. Front Chem, 10, 2022
|
|
7XQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xq5 by Molmil](/molmil-images/mine/7xq5) | Crystal structure of ScIno2p-ScIno4p bound promoter DNA | Descriptor: | DNA (5'-D(*GP*AP*TP*TP*TP*TP*CP*AP*CP*AP*TP*GP*CP*AP*G)-3'), DNA (5'-D(P*CP*CP*TP*GP*CP*AP*TP*GP*TP*GP*AP*AP*AP*AP*T)-3'), HEXANE-1,6-DIOL, ... | Authors: | Khan, M.H, Lu, X. | Deposit date: | 2022-05-06 | Release date: | 2022-07-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Analysis of Ino2p/Ino4p Mutual Interactions and Their Binding Interface with Promoter DNA. Int J Mol Sci, 23, 2022
|
|
6WTJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wtj by Molmil](/molmil-images/mine/6wtj) | Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | Authors: | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2020-05-02 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication. Nat Commun, 11, 2020
|
|
6W3R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w3r by Molmil](/molmil-images/mine/6w3r) | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with 3-methylisoleucine | Descriptor: | 3-methyl-L-alloisoleucine, CHLORIDE ION, Methyl-accepting chemotaxis protein, ... | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | Deposit date: | 2020-03-09 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3. Biomolecules, 10, 2020
|
|
6WTK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wtk by Molmil](/molmil-images/mine/6wtk) | Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication | Descriptor: | 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2020-05-03 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication. Nat Commun, 11, 2020
|
|
6WTM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wtm by Molmil](/molmil-images/mine/6wtm) | |
6W3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w3p by Molmil](/molmil-images/mine/6w3p) | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with beta-methylnorleucine | Descriptor: | CHLORIDE ION, GLYCEROL, Methyl-accepting chemotaxis protein, ... | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | Deposit date: | 2020-03-09 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.383 Å) | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3. Biomolecules, 10, 2020
|
|
6W3Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w3y by Molmil](/molmil-images/mine/6w3y) | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-alanine | Descriptor: | ALANINE, CHLORIDE ION, GLYCEROL, ... | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | Deposit date: | 2020-03-09 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3. Biomolecules, 10, 2020
|
|
6W3T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w3t by Molmil](/molmil-images/mine/6w3t) | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-norvaline | Descriptor: | GLYCEROL, Methyl-accepting chemotaxis protein, NORVALINE, ... | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | Deposit date: | 2020-03-09 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3. Biomolecules, 10, 2020
|
|
6W3X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w3x by Molmil](/molmil-images/mine/6w3x) | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-valine | Descriptor: | GLYCEROL, Methyl-accepting chemotaxis protein, SULFATE ION, ... | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | Deposit date: | 2020-03-09 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3. Biomolecules, 10, 2020
|
|
6W3S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w3s by Molmil](/molmil-images/mine/6w3s) | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-leucine | Descriptor: | GLYCEROL, LEUCINE, Methyl-accepting chemotaxis protein, ... | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | Deposit date: | 2020-03-09 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3. Biomolecules, 10, 2020
|
|
6W3V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w3v by Molmil](/molmil-images/mine/6w3v) | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-phenylalanine | Descriptor: | CHLORIDE ION, Methyl-accepting chemotaxis protein, PHENYLALANINE, ... | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | Deposit date: | 2020-03-09 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3. Biomolecules, 10, 2020
|
|
6W3O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w3o by Molmil](/molmil-images/mine/6w3o) | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with 4-methylisoleucine | Descriptor: | 4-methylisoleucine, CHLORIDE ION, Methyl-accepting chemotaxis protein, ... | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | Deposit date: | 2020-03-09 | Release date: | 2020-05-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3. Biomolecules, 10, 2020
|
|
8DKZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dkz by Molmil](/molmil-images/mine/8dkz) | |
8DJJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8djj by Molmil](/molmil-images/mine/8djj) | |
8DK8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dk8 by Molmil](/molmil-images/mine/8dk8) | |
7LDL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ldl by Molmil](/molmil-images/mine/7ldl) | Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | Descriptor: | 3C-like proteinase, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Khan, M.B, Lu, J, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-01-13 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies. Eur.J.Med.Chem., 222, 2021
|
|
7LCR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lcr by Molmil](/molmil-images/mine/7lcr) | Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | Descriptor: | 3C-like proteinase, N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-01-11 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies. Eur.J.Med.Chem., 222, 2021
|
|