4JIK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jik by Molmil](/molmil-images/mine/4jik) | |
8UVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uvl by Molmil](/molmil-images/mine/8uvl) | Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site | Descriptor: | 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A. | Deposit date: | 2023-11-03 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model. J.Med.Chem., 67, 2024
|
|
8JEY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jey by Molmil](/molmil-images/mine/8jey) | |
8KI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ki4 by Molmil](/molmil-images/mine/8ki4) | Crystal structure of human HSP90 in intermediate state | Descriptor: | 1,2-ETHANEDIOL, Heat shock protein HSP 90-alpha | Authors: | Xu, C, Zhang, X.L, Bai, F. | Deposit date: | 2023-08-22 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies. Jacs Au, 4, 2024
|
|
7YFP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yfp by Molmil](/molmil-images/mine/7yfp) | The NuA4 histone acetyltransferase complex from S. cerevisiae | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ARP4 isoform 1, Actin, ... | Authors: | Ji, L.T, Zhao, L.X, Xu, K, Gao, H.H, Zhou, Y, Kornberg, R.D, Zhang, H.Q. | Deposit date: | 2022-07-08 | Release date: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure of the NuA4 histone acetyltransferase complex. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7VAB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vab by Molmil](/molmil-images/mine/7vab) | Cryo-EM structure of the non-acylated tirzepatide (LY3298176)-bound human GIPR-Gs complex | Descriptor: | CHOLESTEROL, Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 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: | 2021-08-28 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.2 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
|
|
7VBI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vbi by Molmil](/molmil-images/mine/7vbi) | Cryo-EM structure of the non-acylated tirzepatide (LY3298176)-bound human GLP-1R-Gs complex | Descriptor: | Glucagon-like peptide 1 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: | 2021-08-31 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3 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
|
|
7VBH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vbh by Molmil](/molmil-images/mine/7vbh) | Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GLP-1R-Gs complex | Descriptor: | Glucagon-like peptide 1 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: | 2021-08-31 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (3 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
|
|
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
|
|
7YFN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yfn by Molmil](/molmil-images/mine/7yfn) | Core module of the NuA4 complex in S. cerevisiae | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ARP4 isoform 1, Actin, ... | Authors: | Ji, L.T, Zhao, L.X, Xu, K, Gao, H.H, Zhou, Y, Kornberg, R.D, Zhang, H.Q. | Deposit date: | 2022-07-08 | Release date: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of the NuA4 histone acetyltransferase complex. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
8DZP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dzp by Molmil](/molmil-images/mine/8dzp) | momSalB bound Kappa Opioid Receptor in complex with Gi1 | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Fay, J.F, Che, T. | Deposit date: | 2022-08-08 | Release date: | 2023-05-03 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Ligand and G-protein selectivity in the kappa-opioid receptor. Nature, 617, 2023
|
|
8DZS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dzs by Molmil](/molmil-images/mine/8dzs) | GR89,696 bound Kappa Opioid Receptor in complex with Gz | Descriptor: | 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, Guanine nucleotide-binding protein G(z) subunit alpha, ... | Authors: | Fay, J.F, Che, T. | Deposit date: | 2022-08-08 | Release date: | 2023-05-03 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | Ligand and G-protein selectivity in the kappa-opioid receptor. Nature, 617, 2023
|
|
8DZQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dzq by Molmil](/molmil-images/mine/8dzq) | momSalB bound Kappa Opioid Receptor in complex with GoA | Descriptor: | 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, Guanine nucleotide-binding protein G(o) subunit alpha, ... | Authors: | Fay, J.F, Che, T. | Deposit date: | 2022-08-08 | Release date: | 2023-05-03 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | Ligand and G-protein selectivity in the kappa-opioid receptor. Nature, 617, 2023
|
|
8DZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dzr by Molmil](/molmil-images/mine/8dzr) | GR89,696 bound Kappa Opioid Receptor in complex with gustducin | Descriptor: | G alpha gustducin protein, 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: | Fay, J.F, Che, T. | Deposit date: | 2022-08-08 | Release date: | 2023-05-03 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Ligand and G-protein selectivity in the kappa-opioid receptor. Nature, 617, 2023
|
|
6DMQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dmq by Molmil](/molmil-images/mine/6dmq) | |
6DRM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6drm by Molmil](/molmil-images/mine/6drm) | OTU domain of Fam105A | Descriptor: | Inactive ubiquitin thioesterase FAM105A | Authors: | Ceccarelli, D.F, Sicheri, F, Cordes, S. | Deposit date: | 2018-06-12 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | FAM105A/OTULINL Is a Pseudodeubiquitinase of the OTU-Class that Localizes to the ER Membrane. Structure, 27, 2019
|
|
6DMM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dmm by Molmil](/molmil-images/mine/6dmm) | Crystal structure of the G23A mutant of human alpha defensin HNP4. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Neutrophil defensin 4, SULFATE ION | Authors: | Gohain, N, Tolbert, W.D, Pazgier, M. | Deposit date: | 2018-06-05 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Systematic mutational analysis of human neutrophil alpha-defensin HNP4. Biochim Biophys Acta Biomembr, 1861, 2019
|
|
2HEP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hep by Molmil](/molmil-images/mine/2hep) | Solution NMR structure of the UPF0291 protein ynzC from Bacillus subtilis. Northeast Structural Genomics target SR384. | Descriptor: | UPF0291 protein ynzC | Authors: | Aramini, J.M, Swapna, G.V.T, Ho, C.K, Shetty, K, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-06-21 | Release date: | 2006-08-15 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of the SOS response protein YnzC from Bacillus subtilis Proteins, 72, 2008
|
|
7D68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d68 by Molmil](/molmil-images/mine/7d68) | Cryo-EM structure of the human glucagon-like peptide-2 receptor-Gs protein complex | Descriptor: | Glucagon-like peptide 2 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: | Sun, W, Chen, L, Zhou, Q, Zhao, L, Zhang, H, Cong, Z, Shen, D, Zhao, F, Zhou, F, Cai, X, Chen, Y, Zhou, Y, Gadgaard, S, van der Velden, W.J, Zhao, S, Jiang, Y, Rosenkilde, M.M, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | Deposit date: | 2020-09-29 | Release date: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A unique hormonal recognition feature of the human glucagon-like peptide-2 receptor. Cell Res., 30, 2020
|
|
5ZGU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zgu by Molmil](/molmil-images/mine/5zgu) | |
5ZGW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zgw by Molmil](/molmil-images/mine/5zgw) | |
5ZGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zgt by Molmil](/molmil-images/mine/5zgt) | |
5ZGY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zgy by Molmil](/molmil-images/mine/5zgy) | |
5ZH1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zh1 by Molmil](/molmil-images/mine/5zh1) | |
5ZGQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zgq by Molmil](/molmil-images/mine/5zgq) | Crystal structure of NDM-1 at pH7.5 (Tris-HCl, (NH4)2SO4) in complex with hydrolyzed ampicillin | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, HYDROXIDE ION, Metallo-beta-lactamase type 2, ... | Authors: | Zhang, H, Hao, Q. | Deposit date: | 2018-03-10 | Release date: | 2018-08-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1. Antimicrob. Agents Chemother., 62, 2018
|
|