7WK2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wk2 by Molmil](/molmil-images/mine/7wk2) | SARS-CoV-2 Omicron S-close | Descriptor: | Spike glycoprotein | Authors: | Li, J.W, Cong, Y. | Deposit date: | 2022-01-08 | Release date: | 2022-01-26 | Last modified: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Molecular basis of receptor binding and antibody neutralization of Omicron. Nature, 604, 2022
|
|
7WKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wka by Molmil](/molmil-images/mine/7wka) | |
7WK9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wk9 by Molmil](/molmil-images/mine/7wk9) | |
7WK8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wk8 by Molmil](/molmil-images/mine/7wk8) | |
4HIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hiq by Molmil](/molmil-images/mine/4hiq) | The Structure of V122I Mutant Transthyretin in Complex with AG10 | Descriptor: | 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid, Transthyretin | Authors: | Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A. | Deposit date: | 2012-10-11 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4HIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4his by Molmil](/molmil-images/mine/4his) | The Structure of V122I Mutant Transthyretin in Complex with Tafamidis | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | Authors: | Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A. | Deposit date: | 2012-10-11 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
7JWG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jwg by Molmil](/molmil-images/mine/7jwg) | OspA-Fab 221-7 complex structure | Descriptor: | Antibody 221-7 Fab heavy chain, Antibody 221-7 Fab light chain, Outer surface protein A | Authors: | Rudolph, M.J. | Deposit date: | 2020-08-25 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Blocking Borrelia burgdorferi transmission from infected ticks to nonhuman primates with a human monoclonal antibody. J.Clin.Invest., 131, 2021
|
|
7DGB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dgb by Molmil](/molmil-images/mine/7dgb) | |
7DGH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dgh by Molmil](/molmil-images/mine/7dgh) | |
7DGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dgf by Molmil](/molmil-images/mine/7dgf) | |
7DGG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dgg by Molmil](/molmil-images/mine/7dgg) | |
7DGI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dgi by Molmil](/molmil-images/mine/7dgi) | |
7V0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v0e by Molmil](/molmil-images/mine/7v0e) | |
2MVW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mvw by Molmil](/molmil-images/mine/2mvw) | Solution structure of the TRIM19 B-box1 (B1) of human promyelocytic leukemia (PML) | Descriptor: | Protein PML, ZINC ION | Authors: | Huang, S, Naik, M.T, Fan, P, Wang, Y, Chang, C, Huang, T. | Deposit date: | 2014-10-17 | Release date: | 2014-11-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The B-box 1 dimer of human promyelocytic leukemia protein. J.Biomol.Nmr, 60, 2014
|
|
5TWU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5twu by Molmil](/molmil-images/mine/5twu) | Structure of Maternal Embryonic Leucine Zipper Kinase | Descriptor: | Maternal embryonic leucine zipper kinase | Authors: | Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J. | Deposit date: | 2016-11-14 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017
|
|
8UPV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8upv by Molmil](/molmil-images/mine/8upv) | Structure of SARS-Cov2 3CLPro in complex with Compound 33 | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
|
|
8UPS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ups by Molmil](/molmil-images/mine/8ups) | Structure of SARS-Cov2 3CLPro in complex with Compound 5 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION | Authors: | Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
|
|
8UPW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8upw by Molmil](/molmil-images/mine/8upw) | Structure of SARS-Cov2 3CLPro in complex with Compound 34 | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
|
|
8UTE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ute by Molmil](/molmil-images/mine/8ute) | Structure of SARS-Cov2 3CLPro in complex with Compound 27 | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-31 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
|
|
5TWL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5twl by Molmil](/molmil-images/mine/5twl) | Structure of Maternal Embryonic Leucine Zipper Kinase | Descriptor: | 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one, Maternal embryonic leucine zipper kinase | Authors: | Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S. | Deposit date: | 2016-11-14 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017
|
|
5TWZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5twz by Molmil](/molmil-images/mine/5twz) | Structure of Maternal Embryonic Leucine Zipper Kinase | Descriptor: | 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, Maternal embryonic leucine zipper kinase | Authors: | Seo, H.-Y, Dhe-Paganon, S. | Deposit date: | 2016-11-15 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.631 Å) | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017
|
|
8WNG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wng by Molmil](/molmil-images/mine/8wng) | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile | Descriptor: | ACETATE ION, GLYCEROL, ISOLEUCINE, ... | Authors: | Guo, Y, Li, S, Zhang, T. | Deposit date: | 2023-10-05 | Release date: | 2024-02-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase. Febs Lett., 598, 2024
|
|
3B8H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3b8h by Molmil](/molmil-images/mine/3b8h) | Structure of the eEF2-ExoA(E546A)-NAD+ complex | Descriptor: | Elongation factor 2, Exotoxin A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Jorgensen, R, Merrill, A.R. | Deposit date: | 2007-11-01 | Release date: | 2008-06-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The nature and character of the transition state for the ADP-ribosyltransferase reaction. Embo Rep., 9, 2008
|
|
7ECY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ecy by Molmil](/molmil-images/mine/7ecy) | EV-D68 in complex with 2H12 Fab (State 3) | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Xu, C, Cong, Y. | Deposit date: | 2021-03-13 | Release date: | 2021-03-31 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections. Nat Commun, 12, 2021
|
|
7EBZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ebz by Molmil](/molmil-images/mine/7ebz) | EV-D68 in complex with 2H12 Fab (state S1) | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Xu, C, Cong, Y. | Deposit date: | 2021-03-11 | Release date: | 2021-03-31 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections. Nat Commun, 12, 2021
|
|