5UJ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uj2 by Molmil](/molmil-images/mine/5uj2) | Crystal structure of HCV NS5B genotype 2A JFH-1 isolate with S15G E86Q E87Q C223H V321I mutations and Delta8 neta hairpoin loop deletion in complex with GS-639476 (diphsohate version of GS-9813), Mn2+ and symmetrical primer template 5'-AUAAAUUU | Descriptor: | (1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol, CHLORIDE ION, Genome polyprotein, ... | Authors: | Edwards, T.E, Fox III, D, Appleby, T.C, Murakami, E, Rey, A, McGrath, M.E. | Deposit date: | 2017-01-16 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of a 2'-fluoro-2'-C-methyl C-nucleotide HCV polymerase inhibitor and a phosphoramidate prodrug with favorable properties. Bioorg. Med. Chem. Lett., 27, 2017
|
|
3LL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ll8 by Molmil](/molmil-images/mine/3ll8) | |
7CAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cal by Molmil](/molmil-images/mine/7cal) | Cryo-EM Structure of the Hyperpolarization-Activated Inwardly Rectifying Potassium Channel KAT1 from Arabidopsis | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Potassium channel KAT1 | Authors: | Li, S.Y, Yang, F, Sun, D.M, Zhang, Y, Zhang, M.G, Zhou, P, Liu, S.L, Zhang, Y.N, Zhang, L.H, Tian, C.L. | Deposit date: | 2020-06-09 | Release date: | 2020-07-29 | Last modified: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of the hyperpolarization-activated inwardly rectifying potassium channel KAT1 from Arabidopsis. Cell Res., 30, 2020
|
|
8HJD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hjd by Molmil](/molmil-images/mine/8hjd) | |
8HJC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hjc by Molmil](/molmil-images/mine/8hjc) | |
3EZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ezx by Molmil](/molmil-images/mine/3ezx) | |
7V1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v1z by Molmil](/molmil-images/mine/7v1z) | human Serine beta-lactamase-like protein LACTB | Descriptor: | Serine beta-lactamase-like protein LACTB, mitochondrial | Authors: | Zhang, M.H, Yang, M.J. | Deposit date: | 2021-08-07 | Release date: | 2022-02-16 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structural basis for the catalytic activity of filamentous human serine beta-lactamase-like protein LACTB. Structure, 30, 2022
|
|
7V21
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v21 by Molmil](/molmil-images/mine/7v21) | |
7V1Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v1y by Molmil](/molmil-images/mine/7v1y) | |
7E24
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7e24 by Molmil](/molmil-images/mine/7e24) | |
7E28
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7e28 by Molmil](/molmil-images/mine/7e28) | |
3SXF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sxf by Molmil](/molmil-images/mine/3sxf) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | Authors: | Larson, E.T, Merritt, E.A. | Deposit date: | 2011-07-14 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
|
|
3F75
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f75 by Molmil](/molmil-images/mine/3f75) | Activated Toxoplasma gondii cathepsin L (TgCPL) in complex with its propeptide | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2008-11-07 | Release date: | 2008-11-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Toxoplasma gondii cathepsin L is the primary target of the invasion-inhibitory compound morpholinurea-leucyl-homophenyl-vinyl sulfone phenyl. J.Biol.Chem., 284, 2009
|
|
7ESX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7esx by Molmil](/molmil-images/mine/7esx) | Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wPip | Descriptor: | Bacteria factor 1 | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-05-12 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7ESY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7esy by Molmil](/molmil-images/mine/7esy) | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip | Descriptor: | Bacteria factor 1, CALCIUM ION, ULP_PROTEASE domain-containing protein | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-05-12 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7ESZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7esz by Molmil](/molmil-images/mine/7esz) | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB with Mn2+ from wPip | Descriptor: | BACTERIA FACTOR A, BACTERIA FACTOR B, MANGANESE (II) ION | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-05-12 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.476 Å) | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7ET0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7et0 by Molmil](/molmil-images/mine/7et0) | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB from wPip | Descriptor: | Bacteria factor A, Bacteria factor B | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-05-12 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
3G3E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g3e by Molmil](/molmil-images/mine/3g3e) | |
3T3V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t3v by Molmil](/molmil-images/mine/3t3v) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-87 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | Authors: | Larson, E.T, Merritt, E.A. | Deposit date: | 2011-07-25 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
|
|
3T3U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t3u by Molmil](/molmil-images/mine/3t3u) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-130 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | Authors: | Larson, E.T, Merritt, E.A. | Deposit date: | 2011-07-25 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
|
|
7DTW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dtw by Molmil](/molmil-images/mine/7dtw) | Human Calcium-Sensing Receptor in the inactive close-close conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | Deposit date: | 2021-01-06 | Release date: | 2021-03-10 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan. Cell Res., 31, 2021
|
|
7DTU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dtu by Molmil](/molmil-images/mine/7dtu) | Human Calcium-Sensing Receptor bound with L-Trp | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor, ... | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | Deposit date: | 2021-01-06 | Release date: | 2021-03-10 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan. Cell Res., 31, 2021
|
|
7DTT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dtt by Molmil](/molmil-images/mine/7dtt) | Human Calcium-Sensing Receptor bound with calcium ions | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Sun, D.M, Liu, L, Shi, C.W. | Deposit date: | 2021-01-06 | Release date: | 2021-03-10 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan. Cell Res., 31, 2021
|
|
7DTV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dtv by Molmil](/molmil-images/mine/7dtv) | Human Calcium-Sensing Receptor bound with L-Trp and calcium ions | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | Deposit date: | 2021-01-06 | Release date: | 2021-03-10 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan. Cell Res., 31, 2021
|
|
7DPV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dpv by Molmil](/molmil-images/mine/7dpv) | SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-dihydromyricetin | Descriptor: | (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one, 3C-like proteinase | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
|
|