7UR9
| SARS-Cov2 Main protease in complex with inhibitor CDD-1845 | Descriptor: | (2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase nsp5 | Authors: | Lu, S, Palzkill, T. | Deposit date: | 2022-04-21 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors. Commun Chem, 6, 2023
|
|
7URB
| Sars-Cov2 Main Protease in complex with CDD-1733 | Descriptor: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide, 3C-like proteinase | Authors: | Lu, S, Palzkill, T, Matzuk, M.M, Judge, A. | Deposit date: | 2022-04-21 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors. Commun Chem, 6, 2023
|
|
7US4
| Sars-Cov2 Main Protease in complex with CDD-1819 | Descriptor: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase | Authors: | Lu, S, Palzkill, T, Matzuk, M.M, Judge, A. | Deposit date: | 2022-04-22 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors. Commun Chem, 6, 2023
|
|
7V3Z
| Structure of cannabinoid receptor type 1(CB1) | Descriptor: | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, CHOLESTEROL, FLAVIN MONONUCLEOTIDE, ... | Authors: | Liu, Z.J, Shen, L, Hua, T, Yao, D.Q, Wu, L.J. | Deposit date: | 2021-08-12 | Release date: | 2021-11-24 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | A Genetically Encoded F-19 NMR Probe Reveals the Allosteric Modulation Mechanism of Cannabinoid Receptor 1. J.Am.Chem.Soc., 143, 2021
|
|
3UWP
| Crystal structure of Dot1l in complex with 5-iodotubercidin | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2011-12-02 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
|
|
3V53
| Crystal structure of human RBM25 | Descriptor: | RNA-binding protein 25 | Authors: | Gong, D.S. | Deposit date: | 2011-12-16 | Release date: | 2012-12-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure and functional characterization of the human RBM25 PWI domain and its flanking basic region Biochem.J., 450, 2013
|
|
4PHH
| Crystal structure of Ypt7 covalently modified with GNP | Descriptor: | 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-N-[3-(propanoylamino)propyl]guanosine, CHLORIDE ION, GTP-binding protein YPT7, ... | Authors: | Wiegandt, D, Vieweg, S, Hofmann, F, Koch, D, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S. | Deposit date: | 2014-05-06 | Release date: | 2014-05-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Locking GTPases covalently in their functional states. Nat Commun, 6, 2015
|
|
8F4S
| Crystal Structure of the SARS-CoV-2 2'-O-Methyltransferase with Compound 5a bound to the Cryptic Pocket of nsp16 | Descriptor: | 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, FORMIC ACID, ... | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-11-11 | Release date: | 2023-10-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors. Acs Infect Dis., 9, 2023
|
|
8F4Y
| Crystal Structure of SARS-CoV-2 2'-O-Methyltransferase in Complex with Compound 5a covalently bound to nsp16 and nsp10 | Descriptor: | 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, 4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol, ... | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-11-11 | Release date: | 2023-10-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors. Acs Infect Dis., 9, 2023
|
|
7T4J
| Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788 | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ... | Authors: | Skene, R.J, Lane, W, Hu, Y. | Deposit date: | 2021-12-10 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer. Bioorg.Med.Chem.Lett., 80, 2022
|
|
7T4I
| Crystal Structure of wild type EGFR in complex with TAK-788 | Descriptor: | Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | Authors: | Skene, R.J, Lane, W. | Deposit date: | 2021-12-10 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer. Bioorg.Med.Chem.Lett., 80, 2022
|
|
4PHG
| Crystal structure of Ypt7 covalently modified with GTP | Descriptor: | GTP-binding protein YPT7, MAGNESIUM ION, N-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate), ... | Authors: | Koch, D, Wiegandt, D, Vieweg, S, Hofmann, F, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S. | Deposit date: | 2014-05-06 | Release date: | 2014-05-28 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Locking GTPases covalently in their functional states. Nat Commun, 6, 2015
|
|
4PHF
| Crystal structure of Ypt7 covalently modified with GDP | Descriptor: | GTP-binding protein YPT7, MAGNESIUM ION, N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate), ... | Authors: | Vieweg, S, Wiegandt, D, Hofmann, F, Koch, D, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S. | Deposit date: | 2014-05-06 | Release date: | 2014-05-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Locking GTPases covalently in their functional states. Nat Commun, 6, 2015
|
|
8W9Z
| The cryo-EM structure of the Nicotiana tabacum PEP-PAP | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta'', ... | Authors: | Wu, X.X, Zhang, Y. | Deposit date: | 2023-09-06 | Release date: | 2024-03-13 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of the plant plastid-encoded RNA polymerase. Cell, 187, 2024
|
|
8WA1
| |
8WA0
| |
4M6T
| Structure of human Paf1 and Leo1 complex | Descriptor: | RNA polymerase II-associated factor 1 homolog, Linker, RNA polymerase-associated protein LEO1, ... | Authors: | Shen, Y, Qin, X. | Deposit date: | 2013-08-11 | Release date: | 2013-10-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | Structural insights into Paf1 complex assembly and histone binding Nucleic Acids Res., 41, 2013
|
|
6IUO
| Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor | Descriptor: | Fibroblast growth factor receptor 4, N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide | Authors: | Xu, Y, Liu, Q. | Deposit date: | 2018-11-29 | Release date: | 2019-10-23 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
|
|
6ITJ
| Crystal structure of FGFR1 kinase domain in complex with compound 3 | Descriptor: | 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1 | Authors: | Xu, Y, Liu, Q. | Deposit date: | 2018-11-23 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
|
|
7UFV
| Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 | Descriptor: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION | Authors: | Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-23 | Release date: | 2022-05-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Nanomolar DCAF1 Small Molecule Ligands. J.Med.Chem., 66, 2023
|
|
6IUP
| Crystal structure of FGFR4 kinase domain in complex with compound 5 | Descriptor: | DIMETHYL SULFOXIDE, Fibroblast growth factor receptor 4, N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide | Authors: | Xu, Y, Liu, Q. | Deposit date: | 2018-11-29 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
|
|
6IYF
| Structure of pSTING complex | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein | Authors: | Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C. | Deposit date: | 2018-12-15 | Release date: | 2019-06-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.764 Å) | Cite: | Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins. J.Biol.Chem., 294, 2019
|
|
7V7L
| Crystal Structure of the Heterodimeric HIF-3a:ARNT Complex | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Hypoxia-inducible factor 3-alpha | Authors: | Diao, X, Ren, X, Li, F.W, Sun, X, Wu, D. | Deposit date: | 2021-08-21 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of oleoylethanolamide as an endogenous ligand for HIF-3 alpha. Nat Commun, 13, 2022
|
|
7V7W
| Crystal Structure of the Heterodimeric HIF-3a:ARNT Complex with oleoylethanolamide (OEA) | Descriptor: | (Z)-N-(2-hydroxyethyl)octadec-9-enamide, Aryl hydrocarbon receptor nuclear translocator, Hypoxia-inducible factor 3-alpha | Authors: | Diao, X, Ren, X, Li, F.W, Zhang, M, Sun, X, Wu, D. | Deposit date: | 2021-08-21 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.507 Å) | Cite: | Identification of oleoylethanolamide as an endogenous ligand for HIF-3 alpha. Nat Commun, 13, 2022
|
|
5GTU
| |