4COD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cod by Molmil](/molmil-images/mine/4cod) | Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-((3R,5S)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Encinas, L, OKeefe, H, Neu, M, Convery, M.A, McDowell, W, Mendoza-Losana, A, Pages, L.B, Castro-Pichel, J, Evindar, G. | Deposit date: | 2014-01-28 | Release date: | 2014-02-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Encoded Library Technology as a Source of Hits for the Discovery and Lead Optimization of a Potent and Selective Class of Bactericidal Direct Inhibitors of Mycobacterium Tuberculosis Inha. J.Med.Chem., 57, 2014
|
|
5Y6N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y6n by Molmil](/molmil-images/mine/5y6n) | Zika virus helicase in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Helicase domain from Genome polyprotein, MANGANESE (II) ION | Authors: | Yang, X.Y, Chen, C, Tian, H.L, Chi, H, Mu, Z.Y, Zhang, T.Q, Yang, K.L, Zhao, Q, Liu, X.H, Wang, Z.F, Ji, X.Y, Yang, H.T. | Deposit date: | 2017-08-12 | Release date: | 2018-07-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.571 Å) | Cite: | Mechanism of ATP hydrolysis by the Zika virus helicase. FASEB J., 32, 2018
|
|
8X43
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8x43 by Molmil](/molmil-images/mine/8x43) | human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2 | Descriptor: | Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | Authors: | Ma, D, Guo, J. | Deposit date: | 2023-11-15 | Release date: | 2024-01-17 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A small-molecule activation mechanism that directly opens the KCNQ2 channel. Nat.Chem.Biol., 20, 2024
|
|
7KGY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kgy by Molmil](/molmil-images/mine/7kgy) | Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor UNC10201652-glucuronide | Descriptor: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase, GLYCEROL | Authors: | Simpson, J.B, Redinbo, M.R. | Deposit date: | 2020-10-19 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract. Nat Commun, 13, 2022
|
|
7KGZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kgz by Molmil](/molmil-images/mine/7kgz) | |
8IJK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ijk by Molmil](/molmil-images/mine/8ijk) | human KCNQ2-CaM-Ebio1 complex in the presence of PIP2 | Descriptor: | Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | Authors: | Ma, D, Guo, J. | Deposit date: | 2023-02-27 | Release date: | 2024-01-17 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | A small-molecule activation mechanism that directly opens the KCNQ2 channel. Nat.Chem.Biol., 20, 2024
|
|
4DED
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ded by Molmil](/molmil-images/mine/4ded) | Aurora A in complex with YL1-038-21 | Descriptor: | 1,2-ETHANEDIOL, 2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2012-01-20 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors. J.Med.Chem., 55, 2012
|
|
4DEE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dee by Molmil](/molmil-images/mine/4dee) | Aurora A in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, MAGNESIUM ION | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2012-01-20 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors. J.Med.Chem., 55, 2012
|
|
4DEA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dea by Molmil](/molmil-images/mine/4dea) | Aurora A in complex with YL1-038-18 | Descriptor: | 1,2-ETHANEDIOL, 4,4'-(pyrimidine-2,4-diyldiimino)dibenzoic acid, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2012-01-20 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors. J.Med.Chem., 55, 2012
|
|
8Y8D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y8d by Molmil](/molmil-images/mine/8y8d) | Structure of HCoV-HKU1C spike in the inactive-1up 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, Spike glycoprotein, ... | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
|
|
8Y8E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y8e by Molmil](/molmil-images/mine/8y8e) | Structure of HCoV-HKU1C spike in the inactive-2up conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
|
|
8Y8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y8c by Molmil](/molmil-images/mine/8y8c) | Structure of HCoV-HKU1C spike in the inactive-closed conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
|
|
8Y87
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y87 by Molmil](/molmil-images/mine/8y87) | Structure of HCoV-HKU1C spike in the functionally anchored-1up conformation with 1TMPRSS2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
|
|
8Y89
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y89 by Molmil](/molmil-images/mine/8y89) | Structure of HCoV-HKU1C spike in the functionally anchored-3up conformation with 2TMPRSS2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Lu, Y.C, Wang, H.F, Zhang, X, Liu, X.C, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
|
|
8Y8G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y8g by Molmil](/molmil-images/mine/8y8g) | Structure of HCoV-HKU1C spike in the glycan-activated-1up 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, Spike glycoprotein, ... | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
|
|
8Y7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y7y by Molmil](/molmil-images/mine/8y7y) | Local structure of HCoV-HKU1A spike in complex with TMPRSS2 and glycan | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Wang, H.F, Zhang, X, Lu, Y, Liu, X, Sun, L, Yang, H.T. | Deposit date: | 2024-02-05 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
|
|
8Y88
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y88 by Molmil](/molmil-images/mine/8y88) | Structure of HCoV-HKU1C spike in the functionally anchored-2up conformation with 2TMPRSS2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
|
|
8Y8B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y8b by Molmil](/molmil-images/mine/8y8b) | Local structure of HCoV-HKU1C spike in complex with TMPRSS2 and glycan | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Wang, H.F, Zhang, X, Lu, Y.C, Liu, X.C, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
|
|
8Y8I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y8i by Molmil](/molmil-images/mine/8y8i) | Structure of HCoV-HKU1C spike in the glycan-activated-3up conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
|
|
8Y8A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y8a by Molmil](/molmil-images/mine/8y8a) | Structure of HCoV-HKU1C spike in the functionally anchored-3up conformation with 3TMPRSS2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
|
|
8Y8H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y8h by Molmil](/molmil-images/mine/8y8h) | Structure of HCoV-HKU1C spike in the glycan-activated-2up conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
|
|
8Y8F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y8f by Molmil](/molmil-images/mine/8y8f) | Structure of HCoV-HKU1C spike in the glycan-activated-closed 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, Spike glycoprotein, ... | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
|
|
8Y8J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y8j by Molmil](/molmil-images/mine/8y8j) | Local structure of HCoV-HKU1C spike in complex with glycan | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
|
|
8Y7X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y7x by Molmil](/molmil-images/mine/8y7x) | Structure of HCoV-HKU1A spike in the functionally anchored-3up conformation with 3TMPRSS2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T. | Deposit date: | 2024-02-05 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
|
|
3N9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3n9l by Molmil](/molmil-images/mine/3n9l) | ceKDM7A from C.elegans, complex with H3K4me3 peptide and NOG | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.796 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
|
|