7CFM
 
 | | Cryo-EM structure of the P395-bound GPBAR-Gs complex | | Descriptor: | 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide, CHOLESTEROL, G-protein coupled bile acid receptor 1, ... | | Authors: | Yang, F, Mao, C, Guo, L, Lin, J, Ming, Q, Xiao, P, Wu, X, Shen, Q, Guo, S, Shen, D, Lu, R, Zhang, L, Huang, S, Ping, Y, Zhang, C, Ma, C, Zhang, K, Liang, X, Shen, Y, Nan, F, Yi, F, Luca, V, Zhou, J, Jiang, C, Sun, J, Xie, X, Yu, X, Zhang, Y. | | Deposit date: | 2020-06-27 | | Release date: | 2020-09-09 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of GPBAR activation and bile acid recognition.
Nature, 587, 2020
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6AX5
 | | RPT1 region of INI1/SNF5/SMARCB1_HUMAN - SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1. | | Descriptor: | SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 | | Authors: | Girvin, M.E, Cahill, S.M, Harris, R, Cowburn, D, Spira, M, Wu, X, Prakash, R, Bernowitz, M, Almo, S.C, Kalpana, G.V. | | Deposit date: | 2017-09-06 | | Release date: | 2017-10-18 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | INI1/SMARCB1 Rpt1 domain mimics TAR RNA in binding to integrase to facilitate HIV-1 replication.
Nat Commun, 12, 2021
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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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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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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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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
 | | 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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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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7WMQ
 | | Crystal Structure of the second bromodomain of human BRD2 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, FORMIC ACID, GLYCEROL, ... | | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-01-16 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.37 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
 | | 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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7XTQ
 | | Cryo-EM structure of the R399-bound GPBAR-Gs complex | | Descriptor: | G-protein coupled bile acid receptor 1, 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: | Ma, L, Yang, F, Wu, X, Mao, C, Sun, J, Yu, X, Zhang, Y, Zhang, P. | | Deposit date: | 2022-05-17 | | Release date: | 2022-07-06 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis and molecular mechanism of biased GPBAR signaling in regulating NSCLC cell growth via YAP activity.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8Z69
 | | Crystal Structure of the second bromodomain of human BRD2 BD2 in complex with the inhibitor Y13195 | | Descriptor: | 1,2-ETHANEDIOL, 7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methyl-2-(2-phenyl-1H-imidazol-5-yl)furo[3,2-c]pyridin-4(5H)-one, BRD2_HUMAN, ... | | Authors: | Li, J, Hu, Q, Xu, H, Zhao, X, Zhang, C, Zhu, R, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2024-04-18 | | Release date: | 2024-12-11 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Discovery of the First BRD4 Second Bromodomain (BD2)-Selective Inhibitors.
J.Med.Chem., 67, 2024
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8ZMQ
 | | Crystal Structure of the second bromodomain of human BRD4 BD2 in complex with the inhibitor Y13190 | | Descriptor: | 2-(2-(adamantan-1-yl)-4-ethyl-1H-imidazol-5-yl)-7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methylfuro[3,2-c]pyridin-4(5H)-one, BRD4_HUMAN, DIMETHYL SULFOXIDE, ... | | Authors: | Li, J, Hu, Q, Xu, H, Zhao, X, Zhang, C, Zhu, R, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2024-05-23 | | Release date: | 2024-12-11 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of the First BRD4 Second Bromodomain (BD2)-Selective Inhibitors.
J.Med.Chem., 67, 2024
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8ZM8
 | | Crystal Structure of the first bromodomain of human BRD4 BD1 in complex with the inhibitor Y13221 | | Descriptor: | 2-[2-ethyl-4-(methoxymethyl)-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, BRD4_HUMAN | | Authors: | Li, J, Hu, Q, Xu, H, Zhao, X, Zhang, C, Zhu, R, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2024-05-22 | | Release date: | 2024-12-11 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of the First BRD4 Second Bromodomain (BD2)-Selective Inhibitors.
J.Med.Chem., 67, 2024
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8ZMB
 | | Crystal Structure of the first bromodomain of human BRD4 BD1 in complex with the inhibitor Y13195 | | Descriptor: | 7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methyl-2-(2-phenyl-1H-imidazol-5-yl)furo[3,2-c]pyridin-4(5H)-one, BRD4_HUMAN, DIMETHYL SULFOXIDE, ... | | Authors: | Li, J, Hu, Q, Xu, H, Zhao, X, Zhang, C, Zhu, R, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2024-05-22 | | Release date: | 2024-12-11 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Discovery of the First BRD4 Second Bromodomain (BD2)-Selective Inhibitors.
J.Med.Chem., 67, 2024
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7XIJ
 | | Crystal structure of CBP bromodomain liganded with Y08175 | | Descriptor: | 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y. | | Deposit date: | 2022-04-13 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of CBP bromodomain liganded with Y08175
To Be Published
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8YA2
 | | Structure of the SecA-SecY complex with the substrate FtsQ-LacY(+20C) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division protein FtsQ,Lactose permease, ... | | Authors: | Ou, X, Ma, C, Sun, D, Xu, J, Wu, X, Gao, N, Li, L. | | Deposit date: | 2024-02-07 | | Release date: | 2025-02-26 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.84 Å) | | Cite: | SecY translocon chaperones protein folding during membrane protein insertion.
Cell, 188, 2025
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8YA0
 | | Structure of the SecA-SecY complex with the substrate FtsQ-LacY(+7C) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division protein FtsQ,Lactose permease, ... | | Authors: | Ou, X, Ma, C, Sun, D, Xu, J, Wu, X, Gao, N, Li, L. | | Deposit date: | 2024-02-07 | | Release date: | 2025-02-26 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | SecY translocon chaperones protein folding during membrane protein insertion.
Cell, 188, 2025
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8YA3
 | | Structure of the SecA-SecY complex with the substrate FtsQ-LacY(+7C) treated with DTT | | Descriptor: | Cell division protein FtsQ,Lactose permease, Protein translocase subunit SecE, Protein translocase subunit SecY | | Authors: | Ou, X, Ma, C, Sun, D, Xu, J, Wu, X, Gao, N, Li, L. | | Deposit date: | 2024-02-07 | | Release date: | 2025-02-26 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | SecY translocon chaperones protein folding during membrane protein insertion.
Cell, 188, 2025
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8YAS
 | | Structure of the SecA-SecY complex with the substrate HmBRI-7TM | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | Authors: | Ou, X, Ma, C, Sun, D, Xu, J, Wu, X, Gao, N, Li, L. | | Deposit date: | 2024-02-10 | | Release date: | 2025-02-26 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.97 Å) | | Cite: | SecY translocon chaperones protein folding during membrane protein insertion.
Cell, 188, 2025
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8Y9Z
 | | Structure of the SecA-SecY complex with the substrate HmBRI-3TM | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Bacteriorhodopsin-I, ... | | Authors: | Ou, X, Ma, C, Sun, D, Xu, J, Wu, X, Gao, N, Li, L. | | Deposit date: | 2024-02-07 | | Release date: | 2025-02-26 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | SecY translocon chaperones protein folding during membrane protein insertion.
Cell, 188, 2025
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8Y9Y
 | | Structure of the SecA-SecY complex with the substrate FtsQ-LacY(+1C) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | Authors: | Ou, X, Ma, C, Sun, D, Xu, J, Wu, X, Gao, N, Li, L. | | Deposit date: | 2024-02-07 | | Release date: | 2025-02-26 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | SecY translocon chaperones protein folding during membrane protein insertion.
Cell, 188, 2025
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7YL2
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004 | | Descriptor: | Bromodomain-containing protein 4, GLYCEROL, N-(1-ethyl-2-oxidanylidene-3H-indol-5-yl)cyclohexanesulfonamide, ... | | Authors: | Huang, Y, Wei, A, Dong, R, Xu, H, Zhang, C, Chen, Z, Li, J, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-07-25 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004
To Be Published
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6JV0
 | | Crystal Structure of N-terminal domain of ArgZ, bound to Product, an arginine dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria | | Descriptor: | 1,2-ETHANEDIOL, L-ornithine, Sll1336 protein | | Authors: | Zhuang, N, Li, L, Wu, X, Zhang, Y. | | Deposit date: | 2019-04-15 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
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6JUY
 | | Crystal Structure of ArgZ, apo structure, an Arginine Dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria | | Descriptor: | Sll1336 protein | | Authors: | Zhuang, N, Li, L, Wu, X, Zhang, Y. | | Deposit date: | 2019-04-15 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
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