7RUH
| Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with XR844 | Descriptor: | Bromodomain-containing protein 4, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide | Authors: | Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R. | Deposit date: | 2021-08-17 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with XR844 To Be Published
|
|
7RUI
| Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844 | Descriptor: | Bromodomain-containing protein 4, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide | Authors: | Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R. | Deposit date: | 2021-08-17 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844 To Be Published
|
|
7KEU
| Cryo-EM structure of the Caspase-1-CARD:ASC-CARD octamer | Descriptor: | Apoptosis-associated speck-like protein containing a CARD, Caspase-1 | Authors: | Hollingsworth, L.R, David, L, Li, Y, Ruan, J, Wu, H. | Deposit date: | 2020-10-12 | Release date: | 2020-11-25 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Mechanism of filament formation in UPA-promoted CARD8 and NLRP1 inflammasomes. Nat Commun, 12, 2021
|
|
3VZZ
| Crystal structure of PcrB complexed with FsPP from bacillus subtilis subap. subtilis str. 168 | Descriptor: | CHLORIDE ION, Heptaprenylglyceryl phosphate synthase, MAGNESIUM ION, ... | Authors: | Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. | Deposit date: | 2012-10-17 | Release date: | 2012-12-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus Chembiochem, 14, 2013
|
|
3VZX
| Crystal structure of PcrB from bacillus subtilis subap. subtilis str. 168 | Descriptor: | CHLORIDE ION, Heptaprenylglyceryl phosphate synthase, MAGNESIUM ION | Authors: | Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. | Deposit date: | 2012-10-17 | Release date: | 2012-12-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus Chembiochem, 14, 2013
|
|
7T39
| Co-crystal structure of human PRMT9 in complex with MT221 inhibitor | Descriptor: | 7-[5-S-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9 | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2021-12-07 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Co-crystal structure of human PRMT9 in complex with MT221 inhibitor To Be Published
|
|
3VZY
| Crystal structure of PcrB complexed with G1P from bacillus subtilis subap. subtilis str. 168 | Descriptor: | CHLORIDE ION, Heptaprenylglyceryl phosphate synthase, MAGNESIUM ION, ... | Authors: | Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. | Deposit date: | 2012-10-17 | Release date: | 2012-12-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus Chembiochem, 14, 2013
|
|
3W00
| Crystal structure of PcrB complexed with G1P and FsPP from bacillus subtilis subap. subtilis str. 168 | Descriptor: | Heptaprenylglyceryl phosphate synthase, PHOSPHATE ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ... | Authors: | Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. | Deposit date: | 2012-10-17 | Release date: | 2012-12-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus Chembiochem, 14, 2013
|
|
7KA3
| Aldolase, rabbit muscle (beam-tilt refinement x3) | Descriptor: | Fructose-bisphosphate aldolase A | Authors: | Kearns, S.K, Cash, J.N, Cianfrocco, M.A, Li, Y. | Deposit date: | 2020-09-29 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | High-resolution cryo-EM using beam-image shift at 200 keV. Iucrj, 7, 2020
|
|
7JKX
| Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with YF3-6 | Descriptor: | Bromodomain-containing protein 4, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1H-indol-4-yl}ethanesulfonamide | Authors: | Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R. | Deposit date: | 2020-07-29 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with YF3-6 To Be Published
|
|
3IV1
| Coiled-coil domain of tumor susceptibility gene 101 | Descriptor: | CHLORIDE ION, SULFATE ION, Tumor susceptibility gene 101 protein | Authors: | Neculai, D, Avvakumov, G.V, Wernimont, A.K, Xue, S, Walker, J.R, Li, Y, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-31 | Release date: | 2009-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Coiled-Coil Domain of Human Tsg101 To be Published
|
|
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
|
|
7R5F
| Crystal structure of YTHDF2 with compound YLI_DF_012 | Descriptor: | 5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione, CHLORIDE ION, SULFATE ION, ... | Authors: | Nai, F, Li, Y, Caflisch, A. | Deposit date: | 2022-02-10 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
|
|
7R5L
| Crystal structure of YTHDF2 with compound YLI_DC1_015 | Descriptor: | 3,6-dimethyl-2~{H}-1,2,4-triazin-5-one, SULFATE ION, YTH domain-containing family protein 2 | Authors: | Nachawati, R, Nai, F, Li, Y, Caflisch, A. | Deposit date: | 2022-02-10 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
|
|
3HY4
| Structure of human MTHFS with N5-iminium phosphate | Descriptor: | 5-formyltetrahydrofolate cyclo-ligase, MAGNESIUM ION, N-({trans-4-[({(2R,4R,4aS,6S,8aS)-2-amino-4-hydroxy-5-[(phosphonooxy)methyl]decahydropteridin-6-yl}methyl)amino]cyclohexyl}carbonyl)-L-glutamic acid, ... | Authors: | Wu, D, Li, Y, Song, G, Cheng, C, Shaw, N, Liu, Z.-J. | Deposit date: | 2009-06-22 | Release date: | 2009-07-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.795 Å) | Cite: | Structural basis for the inhibition of human 5,10-methenyltetrahydrofolate synthetase by N10-substituted folate analogues Cancer Res., 69, 2009
|
|
3HY6
| Structure of human MTHFS with ADP | Descriptor: | 5-formyltetrahydrofolate cyclo-ligase, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wu, D, Li, Y, Song, G, Cheng, C, Shaw, N, Liu, Z.-J. | Deposit date: | 2009-06-22 | Release date: | 2009-07-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the inhibition of human 5,10-methenyltetrahydrofolate synthetase by N10-substituted folate analogues Cancer Res., 69, 2009
|
|
7R5W
| Crystal structure of YTHDF2 with compound YLI_DF_029 | Descriptor: | 6-cyclopropyl-1H-pyrimidine-2,4-dione, CHLORIDE ION, GLYCEROL, ... | Authors: | Nai, F, Li, Y, Caflisch, A. | Deposit date: | 2022-02-11 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
|
|
7K9L
| Aldolase, rabbit muscle (no beam-tilt refinement) | Descriptor: | Fructose-bisphosphate aldolase A | Authors: | Cianfrocco, M.A, Kearns, S.E, Cash, J.N, Li, Y. | Deposit date: | 2020-09-29 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | High-resolution cryo-EM using beam-image shift at 200 keV. Iucrj, 7, 2020
|
|
7KA2
| Aldolase, rabbit muscle (beam-tilt refinement x2) | Descriptor: | Fructose-bisphosphate aldolase A | Authors: | Kearns, S.K, Cash, J.N, Cianfrocco, M.A, Li, Y. | Deposit date: | 2020-09-29 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | High-resolution cryo-EM using beam-image shift at 200 keV. Iucrj, 7, 2020
|
|