5UZK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uzk by Molmil](/molmil-images/mine/5uzk) | Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor | Descriptor: | 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Jacobs, M.D, Brown, K. | Deposit date: | 2017-02-26 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
|
|
8WP5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wp5 by Molmil](/molmil-images/mine/8wp5) | Crystal structure of LbUGT1 in complex with UDP | Descriptor: | CHLORIDE ION, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | Authors: | Hu, D, Wang, G.Q. | Deposit date: | 2023-10-08 | Release date: | 2024-05-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.57005954 Å) | Cite: | Functional and structural dissection of glycosyltransferases underlying the glycodiversity of wolfberry-derived bioactive ingredients lycibarbarspermidines. Nat Commun, 15, 2024
|
|
8W53
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w53 by Molmil](/molmil-images/mine/8w53) | Crystal structure of LbUGT in complex with UDP | Descriptor: | GLYCEROL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | Authors: | Hu, D, Wang, G.Q. | Deposit date: | 2023-08-25 | Release date: | 2024-05-22 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.42816162 Å) | Cite: | Functional and structural dissection of glycosyltransferases underlying the glycodiversity of wolfberry-derived bioactive ingredients lycibarbarspermidines. Nat Commun, 15, 2024
|
|
7ERO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ero by Molmil](/molmil-images/mine/7ero) | Crystal structure of D-allulose 3-epimerase with D-allulose from Agrobacterium sp. SUL3 | Descriptor: | D-psicose, D-tagatose 3-epimerase, MAGNESIUM ION | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | Deposit date: | 2021-05-06 | Release date: | 2022-05-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform Adv Sci, 2024
|
|
7ERN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ern by Molmil](/molmil-images/mine/7ern) | Crystal structure of D-allulose 3-epimerase with D-fructose from Agrobacterium sp. SUL3 | Descriptor: | D-fructose, D-tagatose 3-epimerase, MAGNESIUM ION | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | Deposit date: | 2021-05-06 | Release date: | 2022-05-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform Adv Sci, 2024
|
|
7ERM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7erm by Molmil](/molmil-images/mine/7erm) | Crystal structure of D-allulose 3-epimerase from Agrobacterium sp. SUL3 | Descriptor: | D-tagatose 3-epimerase, MAGNESIUM ION, SULFATE ION | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | Deposit date: | 2021-05-06 | Release date: | 2022-05-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform Adv Sci, 2024
|
|
8J5Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j5z by Molmil](/molmil-images/mine/8j5z) | The cryo-EM structure of the TwOSC1 tetramer | Descriptor: | Terpene cyclase/mutase family member, octyl beta-D-glucopyranoside | Authors: | Ma, X, Yuru, T, Yunfeng, L, Jiang, T. | Deposit date: | 2023-04-24 | Release date: | 2023-11-01 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (4.75 Å) | Cite: | Structural and Catalytic Insight into the Unique Pentacyclic Triterpene Synthase TwOSC. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
8SWV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8swv by Molmil](/molmil-images/mine/8swv) | BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody IF1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IF1 Heavy Chain, ... | Authors: | Pratap, P.P, Antansijevic, A, Ozorowski, G, Ward, A.B. | Deposit date: | 2023-05-19 | Release date: | 2024-05-22 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Priming antibody responses to the fusion peptide in rhesus macaques. Npj Vaccines, 9, 2024
|
|
8SWX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8swx by Molmil](/molmil-images/mine/8swx) | BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody Base4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Base4 Heavy Chain, ... | Authors: | Pratap, P.P, Antansijevic, A, Ward, A.B. | Deposit date: | 2023-05-19 | Release date: | 2024-05-22 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Priming antibody responses to the fusion peptide in rhesus macaques. Npj Vaccines, 9, 2024
|
|
8SWW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sww by Molmil](/molmil-images/mine/8sww) | BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody IF3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NHP polyclonal antibody IF3 Heavy Chain, ... | Authors: | Pratap, P.P, Antansijevic, A, Ward, A.B. | Deposit date: | 2023-05-19 | Release date: | 2024-05-22 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Priming antibody responses to the fusion peptide in rhesus macaques. Npj Vaccines, 9, 2024
|
|
8T2E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8t2e by Molmil](/molmil-images/mine/8t2e) | BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody FP3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FP3 Heavy Chain, ... | Authors: | Pratap, P.P, Antansijevic, A, Ozorowski, G, Ward, A.B. | Deposit date: | 2023-06-05 | Release date: | 2024-06-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Priming antibody responses to the fusion peptide in rhesus macaques. Npj Vaccines, 9, 2024
|
|
8T2F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8t2f by Molmil](/molmil-images/mine/8t2f) | BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody N289 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N289 Heavy Chain, ... | Authors: | Pratap, P.P, Antansijevic, A, Ozorowski, G, Ward, A.B. | Deposit date: | 2023-06-05 | Release date: | 2024-06-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Priming antibody responses to the fusion peptide in rhesus macaques. Npj Vaccines, 9, 2024
|
|
8SW7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sw7 by Molmil](/molmil-images/mine/8sw7) | BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody FP1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 Boost 2 gp120, BG505 Boost 2 gp41, ... | Authors: | Pratap, P.P, Antansijevic, A, Ozorowski, G, Ward, A.B. | Deposit date: | 2023-05-17 | Release date: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Focusing antibody responses to the fusion peptide in rhesus macaques. Biorxiv, 2023
|
|
3G9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g9n by Molmil](/molmil-images/mine/3g9n) | |
3G9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g9l by Molmil](/molmil-images/mine/3g9l) | |
3G90
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g90 by Molmil](/molmil-images/mine/3g90) | |
3IO7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3io7 by Molmil](/molmil-images/mine/3io7) | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | Descriptor: | (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | Deposit date: | 2009-08-13 | Release date: | 2009-11-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2. Bioorg.Med.Chem.Lett., 19, 2009
|
|
3IOK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3iok by Molmil](/molmil-images/mine/3iok) | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | Descriptor: | 3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine, Tyrosine-protein kinase JAK2 | Authors: | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | Deposit date: | 2009-08-14 | Release date: | 2009-11-10 | Last modified: | 2013-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2. Bioorg.Med.Chem.Lett., 19, 2009
|
|
5BML
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bml by Molmil](/molmil-images/mine/5bml) | ROCK 1 bound to a pyridine thiazole inhibitor | Descriptor: | N-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide, Rho-associated protein kinase 1 | Authors: | Jacobs, M.D. | Deposit date: | 2015-05-22 | Release date: | 2015-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors. J.Med.Chem., 58, 2015
|
|
2GV9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gv9 by Molmil](/molmil-images/mine/2gv9) | |
4NCM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ncm by Molmil](/molmil-images/mine/4ncm) | Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor | Descriptor: | N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide, Polymerase basic protein 2 | Authors: | Jacobs, M.D. | Deposit date: | 2013-10-24 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2. J.Med.Chem., 57, 2014
|
|
4NCE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nce by Molmil](/molmil-images/mine/4nce) | Influenza polymerase basic protein 2 (PB2) bound to 7-methyl-GTP | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Polymerase basic protein 2 | Authors: | Jacobs, M.D. | Deposit date: | 2013-10-24 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2. J.Med.Chem., 57, 2014
|
|
5F79
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f79 by Molmil](/molmil-images/mine/5f79) | Influenza PB2 bound to an azaindole inhibitor | Descriptor: | N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2 | Authors: | Jacobs, M.D. | Deposit date: | 2015-12-07 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza. ACS Med Chem Lett, 8, 2017
|
|
5FA5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fa5 by Molmil](/molmil-images/mine/5fa5) | |
4P1U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p1u by Molmil](/molmil-images/mine/4p1u) | |