6IDE
| Crystal structure of the Vibrio cholera VqmA-Ligand-DNA complex provides molecular mechanisms for drug design | Descriptor: | 3,5-dimethylpyrazin-2-ol, DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*AP*AP*TP*CP*CP*CP*CP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*TP*TP*TP*CP*CP*CP*CP*CP*CP*T)-3'), ... | Authors: | Wu, H, Li, M.J, Guo, H.J, Zhou, H, Li, B, Xu, Q, Xu, C.Y, Yu, F, He, J.H. | Deposit date: | 2018-09-09 | Release date: | 2019-01-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Crystal structure of theVibrio choleraeVqmA-ligand-DNA complex provides insight into ligand-binding mechanisms relevant for drug design. J. Biol. Chem., 294, 2019
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6GTH
| Serial Femtosecond Crystallography at Megahertz pulse rates | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H. | Deposit date: | 2018-06-18 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Megahertz serial crystallography. Nat Commun, 9, 2018
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7SUK
| Structure of Bfr2-Lcp5 Complex Observed in the Small Subunit Processome Isolated from R2TP-depleted Yeast Cells | Descriptor: | 18S pre-rRNA, 40S ribosomal protein S11-A, 40S ribosomal protein S13, ... | Authors: | Rai, J, Zhao, Y, Li, H. | Deposit date: | 2021-11-17 | Release date: | 2022-07-06 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.99 Å) | Cite: | Artificial intelligence-assisted cryoEM structure of Bfr2-Lcp5 complex observed in the yeast small subunit processome. Commun Biol, 5, 2022
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8W4P
| Structure of PSII-FCPII-I/J/K complex in the PSII-FCPII supercomplex from Cyclotella meneghiniana | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, CHLOROPHYLL A, ... | Authors: | Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D. | Deposit date: | 2023-08-24 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana. Nat Commun, 14, 2023
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8W4O
| Structure of PSII-FCPII-G/H complex in the PSII-FCPII supercomplex from Cyclotella meneghiniana | Descriptor: | (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol, (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, ... | Authors: | Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D. | Deposit date: | 2023-08-24 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana. Nat Commun, 14, 2023
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4HXP
| Brd4 Bromodomain 1 complex with 4-(2-OXO-1,3-OXAZOLIDIN-3-YL)BENZAMIDE inhibitor | Descriptor: | 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide, Bromodomain-containing protein 4 | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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4HXN
| Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor | Descriptor: | 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4 | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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4HXK
| Brd4 Bromodomain 1 complex with 6,7-DIHYDROTHIENO[3,2-C]PYRIDIN-5(4H)-YL(1H-IMIDAZOL-1-YL)METHANONE inhibitor | Descriptor: | 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone, Bromodomain-containing protein 4 | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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4HXR
| Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]THIOPHENE-2-SULFONAMIDE inhibitor | Descriptor: | Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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4HXO
| Brd4 Bromodomain 1 complex with 3-{[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]SULFANYL}[1,2,4]TRIAZOLO[4,3-A]PYRIDINE inhibitor | Descriptor: | 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine, Bromodomain-containing protein 4 | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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4HXS
| Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]-1-PHENYLMETHANESULFONAMIDE inhibitor | Descriptor: | Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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4HXM
| Brd4 Bromodomain 1 complex with N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}BUTANAMIDE inhibitor | Descriptor: | Bromodomain-containing protein 4, N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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4HXL
| Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor | Descriptor: | 3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide, Bromodomain-containing protein 4 | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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7T3B
| GATOR1-RAG-RAGULATOR - GAP Complex | Descriptor: | ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ... | Authors: | Egri, S.B, Shen, K. | Deposit date: | 2021-12-07 | Release date: | 2022-04-06 | Last modified: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism. Mol.Cell, 82, 2022
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7T3A
| GATOR1-RAG-RAGULATOR - Inhibitory Complex | Descriptor: | GATOR complex protein DEPDC5, GATOR complex protein NPRL2, GATOR complex protein NPRL3, ... | Authors: | Egri, S.B, Shen, K. | Deposit date: | 2021-12-07 | Release date: | 2022-04-06 | Last modified: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism. Mol.Cell, 82, 2022
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7T3C
| GATOR1-RAG-RAGULATOR - Dual Complex | Descriptor: | ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ... | Authors: | Egri, S.B, Shen, K. | Deposit date: | 2021-12-07 | Release date: | 2022-04-06 | Last modified: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism. Mol.Cell, 82, 2022
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7L0X
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7L0Y
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7L0U
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7L0W
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7L0V
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7MDY
| LolCDE nucleotide-bound | Descriptor: | ADP ORTHOVANADATE, Lipo-releasing system transmembrane protein lolC, Lipoprotein transporter subunit LolE, ... | Authors: | Sharma, S, Liao, M. | Deposit date: | 2021-04-06 | Release date: | 2021-08-11 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins Nat Commun, 12, 2021
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7MDX
| LolCDE nucleotide-free | Descriptor: | (2R)-2-(tridecanoyloxy)propyl hexadecanoate, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, ... | Authors: | Sharma, S, Liao, M. | Deposit date: | 2021-04-06 | Release date: | 2021-08-11 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins Nat Commun, 12, 2021
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7MET
| A. baumannii MsbA in complex with TBT1 decoupler | Descriptor: | 2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, ATP-dependent lipid A-core flippase | Authors: | Thelot, F, Liao, M. | Deposit date: | 2021-04-07 | Release date: | 2021-10-06 | Last modified: | 2021-11-10 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | Distinct allosteric mechanisms of first-generation MsbA inhibitors. Science, 374, 2021
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7MEW
| E. coli MsbA in complex with G247 | Descriptor: | (2E)-3-{1-cyclopropyl-7-[(1S)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid, ATP-dependent lipid A-core flippase | Authors: | Thelot, F, Liao, M. | Deposit date: | 2021-04-08 | Release date: | 2021-10-06 | Last modified: | 2021-11-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Distinct allosteric mechanisms of first-generation MsbA inhibitors. Science, 374, 2021
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