8WZQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wzq by Molmil](/molmil-images/mine/8wzq) | Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with CCF0058981 | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5 | Authors: | Zou, X.F, Jiang, H.H, Zhou, X.L, Zhang, J, Li, J. | Deposit date: | 2023-11-02 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981. Biochem.Biophys.Res.Commun., 692, 2024
|
|
8HVZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hvz by Molmil](/molmil-images/mine/8hvz) | Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF07304814 | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | Authors: | Zou, X.F, Zhang, J, Li, J. | Deposit date: | 2022-12-28 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814. Mol Biomed, 4, 2023
|
|
8HVW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hvw by Molmil](/molmil-images/mine/8hvw) | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07304814 | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | Authors: | Zou, X.F, Zhang, J, Li, J. | Deposit date: | 2022-12-28 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814. Mol Biomed, 4, 2023
|
|
8IG9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ig9 by Molmil](/molmil-images/mine/8ig9) | |
8HQH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hqh by Molmil](/molmil-images/mine/8hqh) | |
8HVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hvl by Molmil](/molmil-images/mine/8hvl) | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Zou, X.F, Zhang, J, Li, J. | Deposit date: | 2022-12-27 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of SARS-Cov-2 main protease
M49I mutant in complex with PF07321332 To Be Published
|
|
8HVO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hvo by Molmil](/molmil-images/mine/8hvo) | Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Zou, X.F, Zhang, J, Li, J. | Deposit date: | 2022-12-27 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of SARS-Cov-2 main protease
V186F mutant in complex with PF07321332 To Be Published
|
|
6QRZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qrz by Molmil](/molmil-images/mine/6qrz) | Crystal structure of R2-like ligand-binding oxidase from Sulfolobus acidocaldarius solved by 3D micro-crystal electron diffraction | Descriptor: | FE (III) ION, MANGANESE (III) ION, Ribonucleoside-diphosphate reductase | Authors: | Xu, H, Lebrette, H, Clabbers, M.T.B, Zhao, J, Griese, J.J, Zou, X, Hogbom, M. | Deposit date: | 2019-02-20 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | ELECTRON CRYSTALLOGRAPHY (3 Å) | Cite: | Solving a new R2lox protein structure by microcrystal electron diffraction. Sci Adv, 5, 2019
|
|
4UA2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ua2 by Molmil](/molmil-images/mine/4ua2) | Crystal structure of dual function transcriptional regulator MerR from Bacillus megaterium MB1 | Descriptor: | Regulatory protein | Authors: | Lin, L.Y, Chang, C.C, Zou, X.W, Huang, C.C, Chan, N.L. | Deposit date: | 2014-08-07 | Release date: | 2015-07-22 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural basis of the mercury(II)-mediated conformational switching of the dual-function transcriptional regulator MerR Nucleic Acids Res., 43, 2015
|
|
7MYN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7myn by Molmil](/molmil-images/mine/7myn) | Cryo-EM Structure of p110alpha in complex with p85alpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. | Deposit date: | 2021-05-21 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7MYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7myo by Molmil](/molmil-images/mine/7myo) | Cryo-EM structure of p110alpha in complex with p85alpha inhibited by BYL-719 | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. | Deposit date: | 2021-05-21 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
4UA1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ua1 by Molmil](/molmil-images/mine/4ua1) | Crystal structure of dual function transcriptional regulator MerR form Bacillus megaterium MB1 in complex with mercury (II) ion | Descriptor: | MERCURY (II) ION, Regulatory protein | Authors: | Chang, C.C, Lin, L.Y, Zou, X.W, Huang, C.C, Chan, N.L. | Deposit date: | 2014-08-07 | Release date: | 2015-07-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structural basis of the mercury(II)-mediated conformational switching of the dual-function transcriptional regulator MerR Nucleic Acids Res., 43, 2015
|
|
8WZP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wzp by Molmil](/molmil-images/mine/8wzp) | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with CCF0058981 | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5 | Authors: | Jiang, H.H, Zou, X.F, Zhou, X.L, Zhang, J, Li, J. | Deposit date: | 2023-11-02 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981. Biochem.Biophys.Res.Commun., 692, 2024
|
|
8Y2T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y2t by Molmil](/molmil-images/mine/8y2t) | Crystal structure of 3C protease from coxsackievirus B3 | Descriptor: | Protease 3C | Authors: | Jiang, H.H, Zou, X.F, Zhang, J, Li, J. | Deposit date: | 2024-01-27 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of the 3C proteases from Coxsackievirus B3 and B4. Acta Crystallogr.,Sect.F, 80, 2024
|
|
7V35
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v35 by Molmil](/molmil-images/mine/7v35) | Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GCGR-Gs complex | Descriptor: | Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | Deposit date: | 2021-08-10 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors. Nat Commun, 13, 2022
|
|
5OCV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ocv by Molmil](/molmil-images/mine/5ocv) | A Rare Lysozyme Crystal Form Solved Using High-Redundancy 3D Electron Diffraction Data from Micron-Sized Needle Shaped Crystals | Descriptor: | Lysozyme C, SODIUM ION | Authors: | Xu, H, Lebrette, H, Yang, T, Srinivas, V, Hovmoller, S, Hogbom, M, Zou, X. | Deposit date: | 2017-07-03 | Release date: | 2018-03-28 | Last modified: | 2024-01-17 | Method: | ELECTRON CRYSTALLOGRAPHY (2.2 Å) | Cite: | A Rare Lysozyme Crystal Form Solved Using Highly Redundant Multiple Electron Diffraction Datasets from Micron-Sized Crystals. Structure, 26, 2018
|
|
6YMB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ymb by Molmil](/molmil-images/mine/6ymb) | MicroED structure of human carbonic anhydrase II | Descriptor: | ZINC ION, carbonic anhydrase 2 | Authors: | Clabbers, M.T.B, Fisher, S.Z, Coincon, M, Zou, X, Xu, H. | Deposit date: | 2020-04-08 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | Cite: | Visualizing drug binding interactions using microcrystal electron diffraction. Commun Biol, 3, 2020
|
|
6YMA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yma by Molmil](/molmil-images/mine/6yma) | MicroED structure of acetazolamide-bound human carbonic anhydrase II | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, DIMETHYL SULFOXIDE, ZINC ION, ... | Authors: | Clabbers, M.T.B, Fisher, S.Z, Coincon, M, Zou, X, Xu, H. | Deposit date: | 2020-04-08 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | Cite: | Visualizing drug binding interactions using microcrystal electron diffraction. Commun Biol, 3, 2020
|
|
7DUQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7duq by Molmil](/molmil-images/mine/7duq) | Cryo-EM structure of the compound 2 and GLP-1-bound human GLP-1 receptor-Gs complex | Descriptor: | CHOLESTEROL, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ... | Authors: | Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | Deposit date: | 2021-01-11 | Release date: | 2021-07-14 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor. Nat Commun, 12, 2021
|
|
7DTY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dty by Molmil](/molmil-images/mine/7dty) | Structural basis of ligand selectivity conferred by the human glucose-dependent insulinotropic polypeptide receptor | Descriptor: | CHOLESTEROL, Gastric inhibitory polypeptide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, F.H, Zhang, C, Zhou, Q.T, Hang, K.N, Zou, X.Y, Chen, Y, Wu, F, Rao, Q.D, Dai, A.T, Yin, W.C, Shen, D.D, Zhang, Y, Xia, T, Stevens, R.C, Xu, H.E, Yang, D.H, Zhao, L.H, Wang, M.W. | Deposit date: | 2021-01-06 | Release date: | 2021-08-04 | Last modified: | 2021-08-11 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structural insights into hormone recognition by the human glucose-dependent insulinotropic polypeptide receptor. Elife, 10, 2021
|
|
7DUR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dur by Molmil](/molmil-images/mine/7dur) | Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex | Descriptor: | CHOLESTEROL, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | Deposit date: | 2021-01-11 | Release date: | 2021-08-11 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor. Nat Commun, 12, 2021
|
|
8DCP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dcp by Molmil](/molmil-images/mine/8dcp) | PI 3-kinase alpha with nanobody 3-126 | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-06-17 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.41 Å) | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
8DD4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dd4 by Molmil](/molmil-images/mine/8dd4) | PI 3-kinase alpha with nanobody 3-142 | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-06-17 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
8DD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dd8 by Molmil](/molmil-images/mine/8dd8) | PI 3-kinase alpha with nanobody 3-142, crosslinked with DSG | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-06-17 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
8DCX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dcx by Molmil](/molmil-images/mine/8dcx) | PI 3-kinase alpha with nanobody 3-159 | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-06-17 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|