8JIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jiq by Molmil](/molmil-images/mine/8jiq) | Cryo-EM structure of the GLP-1R/GCGR dual agonist Peptide 15-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: | Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T. | Deposit date: | 2023-05-27 | Release date: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural analysis of the dual agonism at GLP-1R and GCGR. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8JIU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jiu by Molmil](/molmil-images/mine/8jiu) | Cryo-EM structure of the GLP-1R/GCGR dual agonist SAR425899-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: | Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T. | Deposit date: | 2023-05-27 | Release date: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Structural analysis of the dual agonism at GLP-1R and GCGR. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8JIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jis by Molmil](/molmil-images/mine/8jis) | Cryo-EM structure of the GLP-1R/GCGR dual agonist peptide15-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: | Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T. | Deposit date: | 2023-05-27 | Release date: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.46 Å) | Cite: | Structural analysis of the dual agonism at GLP-1R and GCGR. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
4WRQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wrq by Molmil](/molmil-images/mine/4wrq) | |
8WA3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wa3 by Molmil](/molmil-images/mine/8wa3) | Cryo-EM structure of peptide free and Gs-coupled GIPR | Descriptor: | Gastric inhibitory polypeptide receptor,Fusion 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,O-antigen polymerase, ... | Authors: | Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W. | Deposit date: | 2023-09-06 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins. Cell Discov, 10, 2024
|
|
8WG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wg8 by Molmil](/molmil-images/mine/8wg8) | Cryo-EM structures of peptide free and Gs-coupled GCGR | 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: | Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W. | Deposit date: | 2023-09-20 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins. Cell Discov, 10, 2024
|
|
8WG7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wg7 by Molmil](/molmil-images/mine/8wg7) | Cryo-EM structures of peptide free and Gs-coupled GLP-1R | 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: | Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W. | Deposit date: | 2023-09-20 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.54 Å) | Cite: | Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins. Cell Discov, 10, 2024
|
|
7Q6U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q6u by Molmil](/molmil-images/mine/7q6u) | Crystal structure of the bromodomain of ATAD2 with phenol HTS hit (cpd 6) | Descriptor: | (1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Patel, S.J, Winter-Holt, J.J. | Deposit date: | 2021-11-09 | Release date: | 2022-01-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models. J.Med.Chem., 65, 2022
|
|
7Q6T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q6t by Molmil](/molmil-images/mine/7q6t) | Crystal structure of the bromodomain of ATAD2 with AZ13824374 | Descriptor: | (1R,9S,12R)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Patel, S.J, Winter-Holt, J.J. | Deposit date: | 2021-11-09 | Release date: | 2022-01-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models. J.Med.Chem., 65, 2022
|
|
7Q6W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q6w by Molmil](/molmil-images/mine/7q6w) | Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22) | Descriptor: | (1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Patel, S.J, Winter-Holt, J.J. | Deposit date: | 2021-11-09 | Release date: | 2022-01-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models. J.Med.Chem., 65, 2022
|
|
7Q6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q6v by Molmil](/molmil-images/mine/7q6v) | Crystal structure of the bromodomain of ATAD2 with triazolopyridine (cpd 14) | Descriptor: | (1R,9S)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Patel, S.J, Winter-Holt, J.J. | Deposit date: | 2021-11-09 | Release date: | 2022-01-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models. J.Med.Chem., 65, 2022
|
|
8BI2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bi2 by Molmil](/molmil-images/mine/8bi2) | Syk kinase domain in complex with macrocyclic inhibitor 20a | Descriptor: | 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK | Authors: | Read, J.A, Patel, J. | Deposit date: | 2022-11-01 | Release date: | 2023-06-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.508 Å) | Cite: | Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors. Bioorg.Med.Chem.Lett., 91, 2023
|
|
2GYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gyt by Molmil](/molmil-images/mine/2gyt) | |
7XUX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xux by Molmil](/molmil-images/mine/7xux) | |
7OLX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7olx by Molmil](/molmil-images/mine/7olx) | MerTK kinase domain with type 1.5 inhibitor containing a tri-methyl pyrazole group | Descriptor: | CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | Deposit date: | 2021-05-20 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy. J.Med.Chem., 64, 2021
|
|
7OLS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ols by Molmil](/molmil-images/mine/7ols) | MerTK kinase domain with type 1.5 inhibitor containing a di-methyl pyrazole group | Descriptor: | 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | Deposit date: | 2021-05-20 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy. J.Med.Chem., 64, 2021
|
|
7OLV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7olv by Molmil](/molmil-images/mine/7olv) | MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group | Descriptor: | 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | Deposit date: | 2021-05-20 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy. J.Med.Chem., 64, 2021
|
|
8YL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8yl9 by Molmil](/molmil-images/mine/8yl9) | Crystal structures of terpene synthases complexed with a substrate mimic | Descriptor: | MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, PYROPHOSPHATE, ... | Authors: | Xu, M, Ma, M. | Deposit date: | 2024-03-05 | Release date: | 2024-04-24 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural Insights Into the Terpene Cyclization Domains of Two Fungal Sesterterpene Synthases and Enzymatic Engineering for Sesterterpene Diversification. Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
8YLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8yla by Molmil](/molmil-images/mine/8yla) | Crystal structures of terpene synthases complexed with a substrate mimic | Descriptor: | MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, PYROPHOSPHATE, ... | Authors: | Xu, M, Ma, M. | Deposit date: | 2024-03-05 | Release date: | 2024-04-24 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural Insights Into the Terpene Cyclization Domains of Two Fungal Sesterterpene Synthases and Enzymatic Engineering for Sesterterpene Diversification. Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
8YR2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8yr2 by Molmil](/molmil-images/mine/8yr2) | Structure of NET-Nisoxetine in outward-open state | Descriptor: | CHLORIDE ION, CHOLESTEROL, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-03-20 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter Nature, 630, 2024
|
|
8Y91
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y91 by Molmil](/molmil-images/mine/8y91) | Structure of NET-nomifensine in outward-open state | Descriptor: | (4S)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine, CHLORIDE ION, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter Nature, 630, 2024
|
|
8Y92
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y92 by Molmil](/molmil-images/mine/8y92) | structure of NET-Atomoxetine in outward-open state | Descriptor: | (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine, CHLORIDE ION, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter Nature, 630, 2024
|
|
8Y90
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y90 by Molmil](/molmil-images/mine/8y90) | Structure of NET-Nefopam in outward-open state | Descriptor: | (1S)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine, CHLORIDE ION, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter Nature, 630, 2024
|
|
8Y93
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y93 by Molmil](/molmil-images/mine/8y93) | Structure of NET-Amitriptyline in outward-open state | Descriptor: | Amitriptyline, CHLORIDE ION, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter Nature, 630, 2024
|
|
8Y94
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y94 by Molmil](/molmil-images/mine/8y94) | |