7WH9
| holo structure of emodin 1-OH O-methyltransferase complex with emodin and S-Adenosyl-L-homocysteine | Descriptor: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, O-methyltransferase gedA, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Liang, Y.J, Lu, X.F, Qi, F.F, Xue, Y.Y. | Deposit date: | 2021-12-30 | Release date: | 2023-01-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | Characterization and Structural Analysis of Emodin- O -Methyltransferase from Aspergillus terreus. J.Agric.Food Chem., 70, 2022
|
|
2AF5
| 2.5A X-ray Structure of Engineered OspA protein | Descriptor: | Engineered Outer Surface Protein A (OspA) with the inserted two beta-hairpins | Authors: | Makabe, K, Mcelheny, D, Tereshko, V, Hilyard, A, Koide, A, Koide, S. | Deposit date: | 2005-07-25 | Release date: | 2006-08-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Atomic structures of peptide self-assembly mimics. Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
7EVJ
| Crystal structure of CBP bromodomain liganded with 9c | Descriptor: | 3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate, CREB-binding protein, GLYCEROL, ... | Authors: | Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y. | Deposit date: | 2021-05-21 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer. J.Med.Chem., 65, 2022
|
|
5WST
| Crystal structure of Myo7a SAH | Descriptor: | Unconventional myosin-VIIa | Authors: | Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M. | Deposit date: | 2016-12-08 | Release date: | 2017-06-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension Structure, 25, 2017
|
|
6JXT
| |
7CYC
| Cryo-EM structures of Alphacoronavirus spike glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Song, X, Shi, Y, Ding, W, Liu, Z.J, Peng, G. | Deposit date: | 2020-09-03 | Release date: | 2020-12-23 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Cryo-EM analysis of the HCoV-229E spike glycoprotein reveals dynamic prefusion conformational changes. Nat Commun, 12, 2021
|
|
7CYD
| Cryo-EM structures of Alphacoronavirus spike glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Song, X, Shi, Y, Ding, W, Liu, Z.J, Peng, G. | Deposit date: | 2020-09-03 | Release date: | 2020-12-23 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Cryo-EM analysis of the HCoV-229E spike glycoprotein reveals dynamic prefusion conformational changes. Nat Commun, 12, 2021
|
|
6JX0
| |
6JWL
| Crystal structure of EGFR 696-1022 L858R in complex with AZD9291 | Descriptor: | Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide | Authors: | Yun, C.H, Zhu, S.J, Yan, X.E. | Deposit date: | 2019-04-21 | Release date: | 2020-04-22 | Last modified: | 2020-11-04 | Method: | X-RAY DIFFRACTION (2.551 Å) | Cite: | Structural Basis of AZD9291 Selectivity for EGFR T790M. J.Med.Chem., 63, 2020
|
|
6JX4
| |
7DC3
| Crystal structure of the MyRF ICA domain | Descriptor: | Isoform 2 of Myelin regulatory factor | Authors: | Shi, N, Wu, P, Zhen, X.K, Li, B.W. | Deposit date: | 2020-10-23 | Release date: | 2021-08-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the MyRF ICA domain with its upstream beta-helical stalk reveals the molecular mechanisms underlying its trimerization and self-cleavage. Int J Biol Sci, 17, 2021
|
|
7VLN
| NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound | Descriptor: | 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile, Histone-lysine N-methyltransferase NSD2 | Authors: | Cao, D.Y, Li, Y.L, Li, J, Xiong, B. | Deposit date: | 2021-10-05 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors. J.Med.Chem., 65, 2022
|
|
7WMO
| A novel chemical derivative(92) of THRB agonist | Descriptor: | 2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2022-01-15 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist. J.Med.Chem., 65, 2022
|
|
7WML
| A novel chemical derivative(85) of THRB agonist | Descriptor: | 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2022-01-15 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist. J.Med.Chem., 65, 2022
|
|
7WMJ
| A novel chemical derivative(71) of THRB agonist | Descriptor: | 2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2022-01-14 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist. J.Med.Chem., 65, 2022
|
|
7WLX
| A novel chemical derivative(53) of THRB agonist | Descriptor: | 2-[[1-methoxy-4-oxidanyl-7-[4-(phenylmethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2022-01-14 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist. J.Med.Chem., 65, 2022
|
|
7WMH
| A novel chemical derivative(56) of THRB agonist | Descriptor: | 2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2022-01-14 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist. J.Med.Chem., 65, 2022
|
|
7WMG
| A novel chemical derivative(52) of THRB agonist | Descriptor: | 2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2022-01-14 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist. J.Med.Chem., 65, 2022
|
|
7WMN
| A novel chemical derivative(89) of THRB agonist | Descriptor: | 2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2022-01-15 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist. J.Med.Chem., 65, 2022
|
|
7DNO
| Characterization of Peptide Ligands Against WDR5 Isolated Using Phage Display Technique | Descriptor: | CYS-ARG-THR-LEU-PRO-PHE, WD repeat-containing protein 5 | Authors: | Cao, J, Cao, D, Xiong, B, Li, Y, Fan, T. | Deposit date: | 2020-12-10 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Phage-Display Based Discovery and Characterization of Peptide Ligands against WDR5. Molecules, 26, 2021
|
|
7EOQ
| |
7EOT
| |
7EOU
| Structure of the human GluN1/GluN2A NMDA receptor in the glycine/glutamate/GNE-6901/9-AA bound state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, 9-AMINOACRIDINE, ... | Authors: | Wang, H, Zhu, S. | Deposit date: | 2021-04-22 | Release date: | 2021-06-30 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors. Neuron, 109, 2021
|
|
7EOS
| |
7EOR
| Structure of the human GluN1/GluN2A NMDA receptor in the glycine/glutamate/GNE-6901 bound state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, Glutamate receptor ionotropic, ... | Authors: | Wang, H, Zhu, S. | Deposit date: | 2021-04-22 | Release date: | 2021-06-30 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors. Neuron, 109, 2021
|
|