8HNB
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![BU of 8hnb by Molmil](/molmil-images/mine/8hnb) | Cryo-EM structure of human OATP1B1 in apo state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier organic anion transporter family member 1B1 | Authors: | Shan, Z, Yang, X, Zhang, Y. | Deposit date: | 2022-12-07 | Release date: | 2023-09-13 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1. Cell Res., 33, 2023
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8HNH
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![BU of 8hnh by Molmil](/molmil-images/mine/8hnh) | Cryo-EM structure of human OATP1B1 in complex with simeprevir | Descriptor: | (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shan, Z, Yang, X, Zhang, Y. | Deposit date: | 2022-12-07 | Release date: | 2023-09-13 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1. Cell Res., 33, 2023
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8K6L
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![BU of 8k6l by Molmil](/molmil-images/mine/8k6l) | Cryo-EM structure of human OATP1B1 in complex with DCF | Descriptor: | 2',7'-bis(chloranyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shan, Z, Yang, X, Zhang, Y. | Deposit date: | 2023-07-25 | Release date: | 2023-09-13 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1. Cell Res., 33, 2023
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6K81
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![BU of 6k81 by Molmil](/molmil-images/mine/6k81) | Crystal structure of human VASH1-SVBP complex | Descriptor: | Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1 | Authors: | Liu, X, Wang, H, Zhang, Y, Feng, Y. | Deposit date: | 2019-06-11 | Release date: | 2020-02-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural insights into tubulin detyrosination by vasohibins-SVBP complex. Cell Discov, 5, 2019
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6JIX
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![BU of 6jix by Molmil](/molmil-images/mine/6jix) | The cyrstal structure of taurine:2-oxoglutarate aminotransferase from Bifidobacterium kashiwanohense, in complex with PLP and glutamate | Descriptor: | GLUTAMIC ACID, PYRIDOXAL-5'-PHOSPHATE, taurine:2-oxoglutarate aminotransferase | Authors: | Li, M, Lin, L, Zhang, Y, Yuchi, Z. | Deposit date: | 2019-02-23 | Release date: | 2020-01-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.647 Å) | Cite: | Biochemical and structural investigation of taurine:2-oxoglutarate aminotransferase fromBifidobacterium kashiwanohense. Biochem.J., 476, 2019
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8K5P
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![BU of 8k5p by Molmil](/molmil-images/mine/8k5p) | |
8JCH
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8KCB
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![BU of 8kcb by Molmil](/molmil-images/mine/8kcb) | Complex of DDM1-nucleosome(H2A) complex with DDM1 bound to SHL2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase DDM1, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Zhang, H, Zhang, Y. | Deposit date: | 2023-08-07 | Release date: | 2024-06-26 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Mechanism of heterochromatin remodeling revealed by the DDM1 bound nucleosome structures. Structure, 32, 2024
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8KCC
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![BU of 8kcc by Molmil](/molmil-images/mine/8kcc) | Complex of DDM1-nucleosome(H2A.W) complex with DDM1 bound to SHL2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase DDM1, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Zhang, H, Zhang, Y. | Deposit date: | 2023-08-07 | Release date: | 2024-06-26 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanism of heterochromatin remodeling revealed by the DDM1 bound nucleosome structures. Structure, 32, 2024
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7XTB
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![BU of 7xtb by Molmil](/molmil-images/mine/7xtb) | Serotonin 6 (5-HT6) receptor-Gs-Nb35 complex | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E. | Deposit date: | 2022-05-16 | Release date: | 2022-07-27 | Last modified: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors. Mol.Cell, 82, 2022
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7XTC
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![BU of 7xtc by Molmil](/molmil-images/mine/7xtc) | Serotonin 7 (5-HT7) receptor-Gs-Nb35 complex | Descriptor: | 3-(2-azanylethyl)-1H-indole-5-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E. | Deposit date: | 2022-05-16 | Release date: | 2022-07-27 | Last modified: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors. Mol.Cell, 82, 2022
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7XTA
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![BU of 7xta by Molmil](/molmil-images/mine/7xta) | Serotonin 4 (5-HT4) receptor-Gi-scFv16 complex | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E. | Deposit date: | 2022-05-16 | Release date: | 2022-07-27 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors. Mol.Cell, 82, 2022
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7XT9
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![BU of 7xt9 by Molmil](/molmil-images/mine/7xt9) | Serotonin 4 (5-HT4) receptor-Gs complex | Descriptor: | CHOLESTEROL, 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: | Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E. | Deposit date: | 2022-05-16 | Release date: | 2022-07-27 | Last modified: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors. Mol.Cell, 82, 2022
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7XT8
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![BU of 7xt8 by Molmil](/molmil-images/mine/7xt8) | Serotonin 4 (5-HT4) receptor-Gs-Nb35 complex | Descriptor: | CHOLESTEROL, 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: | Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E. | Deposit date: | 2022-05-16 | Release date: | 2022-07-27 | Last modified: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors. Mol.Cell, 82, 2022
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7DHS
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![BU of 7dhs by Molmil](/molmil-images/mine/7dhs) | Crystal Structure Analysis of the BRD4 | Descriptor: | 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one, Bromodomain-containing protein 4 | Authors: | Wu, T, Xiang, Q, Wang, C, Wu, C, Zhang, C, Zhang, M, Liu, Z, Zhang, Y, Xiao, L, Xu, Y. | Deposit date: | 2020-11-17 | Release date: | 2021-09-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Y06014 is a selective BET inhibitor for the treatment of prostate cancer. Acta Pharmacol.Sin., 42, 2021
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7V2J
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![BU of 7v2j by Molmil](/molmil-images/mine/7v2j) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 33 | Descriptor: | Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide | Authors: | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | Deposit date: | 2021-08-09 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia. Acta Pharmacol.Sin., 43, 2022
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6IEX
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![BU of 6iex by Molmil](/molmil-images/mine/6iex) | Crystal structure of HLA-B*4001 in complex with SARS-CoV derived peptide N216-225 GETALALLLL | Descriptor: | Beta-2-microglobulin, GLY-GLU-THR-ALA-LEU-ALA-LEU-LEU-LEU-LEU, MHC class I antigen | Authors: | Ji, W, Niu, L, Peng, W, Zhang, Y, Shi, Y, Qi, J, Gao, G.F, Liu, W.J. | Deposit date: | 2018-09-17 | Release date: | 2019-09-18 | Last modified: | 2021-03-31 | Method: | X-RAY DIFFRACTION (2.314 Å) | Cite: | Salt bridge-forming residues positioned over viral peptides presented by MHC class I impacts T-cell recognition in a binding-dependent manner. Mol.Immunol., 112, 2019
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7V1U
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![BU of 7v1u by Molmil](/molmil-images/mine/7v1u) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZJ12 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide | Authors: | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | Deposit date: | 2021-08-06 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia. Acta Pharmacol.Sin., 43, 2022
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7WJS
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![BU of 7wjs by Molmil](/molmil-images/mine/7wjs) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157 | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-07 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WKY
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![BU of 7wky by Molmil](/molmil-images/mine/7wky) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153 | Descriptor: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-12 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WNI
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![BU of 7wni by Molmil](/molmil-images/mine/7wni) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158 | Descriptor: | 1,2-ETHANEDIOL, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-18 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WMU
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![BU of 7wmu by Molmil](/molmil-images/mine/7wmu) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146 | Descriptor: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WN5
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![BU of 7wn5 by Molmil](/molmil-images/mine/7wn5) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142 | Descriptor: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, POTASSIUM ION, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WNA
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![BU of 7wna by Molmil](/molmil-images/mine/7wna) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WLN
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![BU of 7wln by Molmil](/molmil-images/mine/7wln) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153 | Descriptor: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-13 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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