6YFZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yfz by Molmil](/molmil-images/mine/6yfz) | |
6YG4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yg4 by Molmil](/molmil-images/mine/6yg4) | |
6YG5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yg5 by Molmil](/molmil-images/mine/6yg5) | |
6YG0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yg0 by Molmil](/molmil-images/mine/6yg0) | |
6YZ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yz4 by Molmil](/molmil-images/mine/6yz4) | Crystal structure of MKK7 (MAP2K7) with ibrutinib bound at allosteric site | Descriptor: | 1,2-ETHANEDIOL, 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, DIMETHYL SULFOXIDE, ... | Authors: | Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-06 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities. Cell Chem Biol, 27, 2020
|
|
6YG2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yg2 by Molmil](/molmil-images/mine/6yg2) | Crystal structure of MKK7 (MAP2K7) in complex with ibrutnib, with covalent and allosteric binding modes | Descriptor: | 1,2-ETHANEDIOL, 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, ... | Authors: | Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-03-27 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities. Cell Chem Biol, 27, 2020
|
|
3M0N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3m0n by Molmil](/molmil-images/mine/3m0n) | |
8GW1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gw1 by Molmil](/molmil-images/mine/8gw1) | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | Descriptor: | Helicase, MANGANESE (II) ION, Non-structural protein 7, ... | Authors: | Yan, L, Rao, Z, Lou, Z. | Deposit date: | 2022-09-16 | Release date: | 2023-10-25 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.31 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
|
|
8GWO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gwo by Molmil](/molmil-images/mine/8gwo) | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | Descriptor: | Helicase, Non-structural protein 7, Non-structural protein 8, ... | Authors: | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2022-09-17 | Release date: | 2022-11-30 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
|
|
8GWG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gwg by Molmil](/molmil-images/mine/8gwg) | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ... | Authors: | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2022-09-17 | Release date: | 2022-12-14 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
|
|
8GWI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gwi by Molmil](/molmil-images/mine/8gwi) | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ... | Authors: | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2022-09-17 | Release date: | 2022-12-14 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
|
|
8GWN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gwn by Molmil](/molmil-images/mine/8gwn) | A mechanism for SARS-CoV-2 RNA capping and its inhibitor of AT-527 | Descriptor: | Helicase, Non-structural protein 7, Non-structural protein 8, ... | Authors: | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2022-09-17 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
|
|
8GWB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gwb by Molmil](/molmil-images/mine/8gwb) | SARS-CoV-2 E-RTC complex with RNA-nsp9 | Descriptor: | Helicase, MANGANESE (II) ION, Non-structural protein 7, ... | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2022-09-16 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
|
|
8GWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gwe by Molmil](/molmil-images/mine/8gwe) | SARS-CoV-2 E-RTC complex with RNA-nsp9 and GMPPNP | Descriptor: | Helicase nsp13, MAGNESIUM ION, Non-structural protein 8, ... | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2022-09-16 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
|
|
8GWF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gwf by Molmil](/molmil-images/mine/8gwf) | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ... | Authors: | Yan, L.Y, Huang, Y.C, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2022-09-17 | Release date: | 2023-01-11 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
|
|
8GWM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gwm by Molmil](/molmil-images/mine/8gwm) | SARS-CoV-2 E-RTC bound with MMP-nsp9 and GMPPNP | Descriptor: | 2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate), Helicase, Non-structural protein 7, ... | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2022-09-17 | Release date: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
|
|
8GWK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gwk by Molmil](/molmil-images/mine/8gwk) | SARS-CoV-2 RNA E-RTC complex with RMP-nsp9 and GMPPNP | Descriptor: | Helicase, MAGNESIUM ION, Non-structural protein 7, ... | Authors: | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2022-09-17 | Release date: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.72 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
|
|
4GMX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gmx by Molmil](/molmil-images/mine/4gmx) | |
6G54
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g54 by Molmil](/molmil-images/mine/6g54) | Crystal structure of ERK2 covalently bound to SM1-71 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 1, ... | Authors: | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-29 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol, 26, 2019
|
|
6GES
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ges by Molmil](/molmil-images/mine/6ges) | Crystal structure of ERK1 covalently bound to SM1-71 | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 3, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, ... | Authors: | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-04-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol, 26, 2019
|
|
7LTJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ltj by Molmil](/molmil-images/mine/7ltj) | Room-temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with a non-covalent inhibitor Mcule-5948770040 | Descriptor: | 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-02-19 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor. J.Chem.Inf.Model., 62, 2022
|
|
5TRL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5trl by Molmil](/molmil-images/mine/5trl) | |
5TRM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5trm by Molmil](/molmil-images/mine/5trm) | |
7E35
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7e35 by Molmil](/molmil-images/mine/7e35) | Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43 | Descriptor: | N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION | Authors: | Liu, J, Wang, Y, Xu, X, Pan, L. | Deposit date: | 2021-02-08 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2. Cell Chem Biol, 28, 2021
|
|
4QQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qq5 by Molmil](/molmil-images/mine/4qq5) | Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex With FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations | Descriptor: | Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide | Authors: | Huang, Z, Mohammadi, M. | Deposit date: | 2014-06-26 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | DFG-out Mode of Inhibition by an Irreversible Type-1 Inhibitor Capable of Overcoming Gate-Keeper Mutations in FGF Receptors. Acs Chem.Biol., 10, 2015
|
|