3ARA
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![BU of 3ara by Molmil](/molmil-images/mine/3ara) | Discovery of Novel Uracil Derivatives as Potent Human dUTPase Inhibitors | Descriptor: | 1-[3-({(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}sulfonyl)propyl]pyrimidine-2,4(1H,3H)-dione, Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION | Authors: | Chong, K.T, Miyakoshi, H, Miyahara, S, Fukuoka, M. | Deposit date: | 2010-11-25 | Release date: | 2010-12-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthesis and discovery of N-carbonylpyrrolidine- or N-sulfonylpyrrolidine-containing uracil derivatives as potent human deoxyuridine triphosphatase inhibitors J.Med.Chem., 55, 2012
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2DDD
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![BU of 2ddd by Molmil](/molmil-images/mine/2ddd) | Unique behavior of a histidine responsible for an engineered green-to-red photoconversion process | Descriptor: | MAGNESIUM ION, SODIUM ION, photoconvertible fluorescent protein | Authors: | Shimizu, H, Tsutsui, H, Nukina, N, Miyawaki, A. | Deposit date: | 2006-01-27 | Release date: | 2006-03-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The E1 mechanism in photo-induced beta-elimination reactions for green-to-red conversion of fluorescent proteins Chem.Biol., 16, 2009
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2DDC
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![BU of 2ddc by Molmil](/molmil-images/mine/2ddc) | Unique behavior of a histidine responsible for an engineered green-to-red photoconversion process | Descriptor: | MAGNESIUM ION, SODIUM ION, photoconvertible fluorescent protein | Authors: | Shimizu, H, Tsutsui, H, Nukina, N, Miyawaki, A. | Deposit date: | 2006-01-27 | Release date: | 2006-03-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The E1 mechanism in photo-induced beta-elimination reactions for green-to-red conversion of fluorescent proteins. Chem.Biol., 16, 2009
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8THV
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![BU of 8thv by Molmil](/molmil-images/mine/8thv) | FARFAR-NMR ensemble of HIV-1 TAR with apical loop capturing ground and excited conformational states | Descriptor: | RNA (29-MER) | Authors: | Roy, R, Geng, A, Shi, H, Merriman, D.K, Dethoff, E.A, Salmon, L, Al-Hashimi, H.M. | Deposit date: | 2023-07-18 | Release date: | 2023-08-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Kinetic Resolution of the Atomic 3D Structures Formed by Ground and Excited Conformational States in an RNA Dynamic Ensemble. J.Am.Chem.Soc., 145, 2023
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8U3M
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![BU of 8u3m by Molmil](/molmil-images/mine/8u3m) | The FARFAR-MD-NMR ensemble of an HIV-1 TAR excited state | Descriptor: | The excited state of HIV-1 transactivation response element (31-MER) | Authors: | Geng, A, Ganser, L, Roy, R, Shi, H, Pratihar, S, Case, D.A, Al-Hashimi, H.M. | Deposit date: | 2023-09-07 | Release date: | 2023-10-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | An RNA excited conformational state at atomic resolution. Nat Commun, 14, 2023
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6WPG
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![BU of 6wpg by Molmil](/molmil-images/mine/6wpg) | Structural Basis of Salicylic Acid Perception by Arabidopsis NPR Proteins | Descriptor: | 2-HYDROXYBENZOIC ACID, Regulatory protein NPR4 | Authors: | Wang, W, Withers, J, Li, H, Zwack, P.J, Rusnac, D.V, Shi, H, Liu, L, Yan, S, Hinds, T.R, Guttman, M, Dong, X, Zheng, N. | Deposit date: | 2020-04-27 | Release date: | 2020-08-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.283 Å) | Cite: | Structural basis of salicylic acid perception by Arabidopsis NPR proteins. Nature, 586, 2020
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6UEP
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![BU of 6uep by Molmil](/molmil-images/mine/6uep) | |
6UER
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![BU of 6uer by Molmil](/molmil-images/mine/6uer) | |
6UEQ
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![BU of 6ueq by Molmil](/molmil-images/mine/6ueq) | Structure of TBP bound to C-C mismatch containing TATA site | Descriptor: | DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*AP*CP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*TP*TP*TP*TP*AP*TP*AP*GP*C)-3'), SULFATE ION, ... | Authors: | Schumacher, M.A, Al-Hashimi, H. | Deposit date: | 2019-09-22 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | DNA mismatches reveal conformational penalties in protein-DNA recognition. Nature, 587, 2020
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7BRM
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![BU of 7brm by Molmil](/molmil-images/mine/7brm) | Architecture of curli complex | Descriptor: | Curli production assembly/transport protein CsgG, csgf | Authors: | Zhang, M, Shi, H. | Deposit date: | 2020-03-29 | Release date: | 2020-07-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structure of the nonameric CsgG-CsgF complex and its implications for controlling curli biogenesis in Enterobacteriaceae. Plos Biol., 18, 2020
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6VCD
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![BU of 6vcd by Molmil](/molmil-images/mine/6vcd) | Cryo-EM structure of IRP2-FBXL5-SKP1 complex | Descriptor: | F-box/LRR-repeat protein 5, FE2/S2 (INORGANIC) CLUSTER, Iron-responsive element binding protein 2, ... | Authors: | Wang, H, Shi, H, Zheng, N. | Deposit date: | 2019-12-20 | Release date: | 2020-08-05 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | FBXL5 Regulates IRP2 Stability in Iron Homeostasis via an Oxygen-Responsive [2Fe2S] Cluster. Mol.Cell, 78, 2020
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5IJC
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![BU of 5ijc by Molmil](/molmil-images/mine/5ijc) | The crystal structure of mouse TLR4/MD-2/neoseptin-3 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte antigen 96, ... | Authors: | Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B. | Deposit date: | 2016-03-01 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IJB
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![BU of 5ijb by Molmil](/molmil-images/mine/5ijb) | The ligand-free structure of the mouse TLR4/MD-2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte antigen 96, ... | Authors: | Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B. | Deposit date: | 2016-03-01 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IJD
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![BU of 5ijd by Molmil](/molmil-images/mine/5ijd) | The crystal structure of mouse TLR4/MD-2/lipid A complex | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B. | Deposit date: | 2016-03-01 | Release date: | 2016-04-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS. Proc.Natl.Acad.Sci.USA, 113, 2016
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6UZ3
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![BU of 6uz3 by Molmil](/molmil-images/mine/6uz3) | Cardiac sodium channel | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jiang, D, Shi, H, Tonggu, L, Lenaeus, M.J, Zheng, N, Catterall, W.A. | Deposit date: | 2019-11-14 | Release date: | 2020-01-01 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of the Cardiac Sodium Channel. Cell, 180, 2020
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6UZ0
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![BU of 6uz0 by Molmil](/molmil-images/mine/6uz0) | Cardiac sodium channel with flecainide | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jiang, D, Shi, H, Tonggu, L, Lenaeus, M.J, Zheng, N, Catterall, W.A. | Deposit date: | 2019-11-14 | Release date: | 2020-01-01 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Structure of the Cardiac Sodium Channel. Cell, 180, 2020
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3MD3
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![BU of 3md3 by Molmil](/molmil-images/mine/3md3) | Crystal Structure of the First Two RRM Domains of Yeast Poly(U) Binding Protein (Pub1) | Descriptor: | GLYCEROL, Nuclear and cytoplasmic polyadenylated RNA-binding protein PUB1, SULFATE ION | Authors: | Li, H, Shi, H, Zhu, Z, Wang, H, Niu, L, Teng, M. | Deposit date: | 2010-03-29 | Release date: | 2010-05-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of the First Two RRM Domains of Yeast Poly(U) Binding Protein (Pub1) To be published
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3P6Y
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![BU of 3p6y by Molmil](/molmil-images/mine/3p6y) | CF Im25-CF Im68-UGUAA complex | Descriptor: | 5'-R(*UP*GP*UP*AP*A)-3', Cleavage and polyadenylation specificity factor subunit 5, Cleavage and polyadenylation specificity factor subunit 6 | Authors: | Li, H, Tong, S, Li, X, Shi, H, Gao, Y, Ge, H, Niu, L, Teng, M. | Deposit date: | 2010-10-11 | Release date: | 2010-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of pre-mRNA recognition by the human cleavage factor Im complex To be Published
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3P5T
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![BU of 3p5t by Molmil](/molmil-images/mine/3p5t) | CFIm25-CFIm68 complex | Descriptor: | Cleavage and polyadenylation specificity factor subunit 5, Cleavage and polyadenylation specificity factor subunit 6 | Authors: | Li, H, Tong, S, Li, X, Shi, H, Gao, Y, Ge, H, Niu, L, Teng, M. | Deposit date: | 2010-10-11 | Release date: | 2010-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of pre-mRNA recognition by the human cleavage factor Im complex To be Published
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4WNL
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![BU of 4wnl by Molmil](/molmil-images/mine/4wnl) | The X-ray structure of a RNA-binding protein complex | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, SULFATE ION, ... | Authors: | Singh, N, Blobel, G, Shi, H. | Deposit date: | 2014-10-13 | Release date: | 2014-12-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Hooking She3p onto She2p for myosin-mediated cytoplasmic mRNA transport. Proc.Natl.Acad.Sci.USA, 112, 2015
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3MD1
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![BU of 3md1 by Molmil](/molmil-images/mine/3md1) | Crystal Structure of the Second RRM Domain of Yeast Poly(U)-Binding Protein (Pub1) | Descriptor: | GLYCEROL, Nuclear and cytoplasmic polyadenylated RNA-binding protein PUB1 | Authors: | Li, H, Shi, H, Li, Y, Cui, Y, Niu, L, Teng, M. | Deposit date: | 2010-03-29 | Release date: | 2010-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of the Second RRM Domain of Yeast Poly(U)-Binding Protein (Pub1) To be published
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6UH5
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![BU of 6uh5 by Molmil](/molmil-images/mine/6uh5) | Structural basis of COMPASS eCM recognition of the H2Bub nucleosome | Descriptor: | Bre2, DNA (146-MER), H3 N-terminus, ... | Authors: | Hsu, P.L, Shi, H, Zheng, N. | Deposit date: | 2019-09-26 | Release date: | 2019-11-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural Basis of H2B Ubiquitination-Dependent H3K4 Methylation by COMPASS. Mol.Cell, 76, 2019
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6UGM
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![BU of 6ugm by Molmil](/molmil-images/mine/6ugm) | Structural basis of COMPASS eCM recognition of an unmodified nucleosome | Descriptor: | Bre2, DNA (146-MER), H3 N-terminus, ... | Authors: | Hsu, P.L, Shi, H, Zheng, N. | Deposit date: | 2019-09-26 | Release date: | 2019-11-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural Basis of H2B Ubiquitination-Dependent H3K4 Methylation by COMPASS. Mol.Cell, 76, 2019
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4GC5
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![BU of 4gc5 by Molmil](/molmil-images/mine/4gc5) | Crystal structure of murine TFB1M | Descriptor: | ACETATE ION, Dimethyladenosine transferase 1, mitochondrial | Authors: | Guja, K.E, Yakubovskaya, E, Shi, H, Mejia, E, Hambardjieva, E, Venkataraman, K, Karzai, A.W, Garcia-Diaz, M. | Deposit date: | 2012-07-29 | Release date: | 2013-07-10 | Last modified: | 2013-10-02 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structural basis for S-adenosylmethionine binding and methyltransferase activity by mitochondrial transcription factor B1. Nucleic Acids Res., 41, 2013
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4GC9
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![BU of 4gc9 by Molmil](/molmil-images/mine/4gc9) | Crystal structure of murine TFB1M in complex with SAM | Descriptor: | ACETATE ION, Dimethyladenosine transferase 1, mitochondrial, ... | Authors: | Guja, K.E, Yakubovskaya, E, Shi, H, Mejia, E, Hambardjieva, E, Venkataraman, K, Karzai, A.W, Garcia-Diaz, M. | Deposit date: | 2012-07-30 | Release date: | 2013-07-10 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Structural basis for S-adenosylmethionine binding and methyltransferase activity by mitochondrial transcription factor B1. Nucleic Acids Res., 41, 2013
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