7WMJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wmj by Molmil](/molmil-images/mine/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
|
|
7WMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wmh by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wmg by Molmil](/molmil-images/mine/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
|
|
7WLX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wlx by Molmil](/molmil-images/mine/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
|
|
7WMN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wmn by Molmil](/molmil-images/mine/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
|
|
7R2E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r2e by Molmil](/molmil-images/mine/7r2e) | Structure of human Senp7 with SUMO2 | Descriptor: | Sentrin-specific protease 7, Small ubiquitin-related modifier 3, prop-2-en-1-amine | Authors: | Reverter, D, Li, Y. | Deposit date: | 2022-02-04 | Release date: | 2022-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural Basis for the SUMO2 Isoform Specificity of SENP7. J.Mol.Biol., 434, 2022
|
|
3SX0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sx0 by Molmil](/molmil-images/mine/3sx0) | Crystal structure of Dot1l in complex with a brominated SAH analog | Descriptor: | (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), 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: | 2011-07-14 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Bromo-deaza-SAH: a potent and selective DOT1L inhibitor. Bioorg. Med. Chem., 21, 2013
|
|
2HXS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hxs by Molmil](/molmil-images/mine/2hxs) | |
2HO9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ho9 by Molmil](/molmil-images/mine/2ho9) | |
2HQ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hq1 by Molmil](/molmil-images/mine/2hq1) | Crystal Structure of ORF 1438 a putative Glucose/ribitol dehydrogenase from Clostridium thermocellum | Descriptor: | Glucose/ribitol dehydrogenase | Authors: | Southeast Collaboratory for Structural Genomics (SECSG), Li, Y, Shaw, N, Xu, H, Cheng, C, Chen, L, Liu, Z.J, Rose, J.P, Wang, B.C. | Deposit date: | 2006-07-18 | Release date: | 2006-09-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of ORF 1438 a putative Glucose/ ribitol dehydrogenase from Clostridium thermocellum To be Published
|
|
2LGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lgt by Molmil](/molmil-images/mine/2lgt) | Backbone 1H, 13C, and 15N Chemical Shift Assignments for QFM(Y)F | Descriptor: | Eukaryotic peptide chain release factor subunit 1 | Authors: | Wong, L.E, Li, Y, Pillay, S, Pervushin, K. | Deposit date: | 2011-08-02 | Release date: | 2012-03-14 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Selectivity of stop codon recognition in translation termination is modulated by multiple conformations of GTS loop in eRF1 Nucleic Acids Res., 2012
|
|
7MWH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mwh by Molmil](/molmil-images/mine/7mwh) | Crystal structure of BAZ2A with DNA | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*CP*GP*GP*AP*AP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*(5CM)P*AP*TP*TP*CP*CP*G)-3'), ... | Authors: | Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2021-05-17 | Release date: | 2022-08-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystal structure of the BAZ2B TAM domain. Heliyon, 8, 2022
|
|
3O73
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o73 by Molmil](/molmil-images/mine/3o73) | Crystal structure of quinone reductase 2 in complex with the indolequinone MAC627 | Descriptor: | 5-[(4-aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1H-indole-4,7-dione, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Dufour, M, Yan, C, Colucci, M.A, Siegel, D, Li, Y, De Matteis, C.I, Ross, D, Moody, C.J. | Deposit date: | 2010-07-30 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism-Based Inhibition of Quinone Reductase 2 (NQO2): Selectivity for NQO2 over NQO1 and Structural Basis for Flavoprotein Inhibition. Chembiochem, 12, 2011
|
|
8DYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dyo by Molmil](/molmil-images/mine/8dyo) | Cryo-EM structure of Importin-4 bound to RanGTP | Descriptor: | GTP-binding nuclear protein GSP1/CNR1, GUANOSINE-5'-TRIPHOSPHATE, Importin-4, ... | Authors: | Bernardes, N.E, Fung, H.Y.J, Li, Y, Chen, Z, Chook, Y.M. | Deposit date: | 2022-08-04 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (7.1 Å) | Cite: | Structure of IMPORTIN-4 bound to the H3-H4-ASF1 histone-histone chaperone complex. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
8DYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dys by Molmil](/molmil-images/mine/8dys) | Crystal structure of human Eukaryotic translation initiation factor 2A (eIF2A) | Descriptor: | 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 2A, GLYCEROL, ... | Authors: | Righetto, G.L, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2022-08-05 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of human Eukaryotic translation initiation factor 2A (eIF2A) To Be Published
|
|
8OI3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oi3 by Molmil](/molmil-images/mine/8oi3) | Structure of NopD with AtSUMO2 | Descriptor: | Small ubiquitin-related modifier 2, Type III effector, prop-2-en-1-amine | Authors: | Reverter, D, Li, Y. | Deposit date: | 2023-03-22 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of NopD with AtSUMO2 To Be Published
|
|
8EQZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8eqz by Molmil](/molmil-images/mine/8eqz) | Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-C6 | Descriptor: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-hexylbenzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T. | Deposit date: | 2022-10-11 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7JKZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jkz by Molmil](/molmil-images/mine/7jkz) | Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with YF3-126 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | 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: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib. J.Med.Chem., 63, 2020
|
|
7JKX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jkx by Molmil](/molmil-images/mine/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
|
|
7JKY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jky by Molmil](/molmil-images/mine/7jky) | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with YF3-126 | Descriptor: | Bromodomain-containing protein 4, N-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1H-indol-4-yl)ethanesulfonamide, SODIUM ION | 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: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib. J.Med.Chem., 63, 2020
|
|
7JKW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jkw by Molmil](/molmil-images/mine/7jkw) | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with ZN1-99 | Descriptor: | Bromodomain-containing protein 4, N-(6-{5-[(azetidin-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-1-[1,1-di(pyridin-2-yl)ethyl]-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: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib. J.Med.Chem., 63, 2020
|
|
8Q2Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q2q by Molmil](/molmil-images/mine/8q2q) | Crystal structure of YTHDC1 in complex with Compound 2b (YL_32) | Descriptor: | 2-chloranyl-~{N},9-dimethyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Li, Y, Caflisch, A. | Deposit date: | 2023-08-03 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
|
|
7K9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k9l by Molmil](/molmil-images/mine/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
|
|
7KEU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7keu by Molmil](/molmil-images/mine/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
|
|
7KA2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ka2 by Molmil](/molmil-images/mine/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
|
|