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3ARA
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BU of 3ara by Molmil
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
2DDD
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BU of 2ddd by Molmil
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
2DDC
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BU of 2ddc by Molmil
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
8THV
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BU of 8thv by Molmil
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
8U3M
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BU of 8u3m by Molmil
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
6WPG
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BU of 6wpg by Molmil
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
6UEP
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BU of 6uep by Molmil
Structure of A. thaliana TBP bound to a DNA site with a C-C mismatch
Descriptor: DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*CP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*CP*TP*TP*TP*AP*TP*AP*GP*C)-3'), FORMIC ACID, ...
Authors:Schumacher, M.A, Al-hashimi, H.
Deposit date:2019-09-22
Release date:2020-09-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:DNA mismatches reveal conformational penalties in protein-DNA recognition.
Nature, 587, 2020
6UER
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BU of 6uer by Molmil
Crystal form 2: Structure of TBP bound to C-C mismatch at pH 7
Descriptor: DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*CP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*CP*TP*TP*TP*AP*TP*AP*GP*C)-3'), TATA-box-binding protein 1
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 (2.5 Å)
Cite:DNA mismatches reveal conformational penalties in protein-DNA recognition.
Nature, 587, 2020
6UEQ
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BU of 6ueq by Molmil
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
7BRM
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BU of 7brm by Molmil
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
6VCD
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BU of 6vcd by Molmil
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
5IJC
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BU of 5ijc by Molmil
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
5IJB
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BU of 5ijb by Molmil
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
5IJD
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BU of 5ijd by Molmil
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
6UZ3
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BU of 6uz3 by Molmil
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
6UZ0
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BU of 6uz0 by Molmil
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
3MD3
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BU of 3md3 by Molmil
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
3P6Y
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BU of 3p6y by Molmil
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
3P5T
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BU of 3p5t by Molmil
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
4WNL
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BU of 4wnl by Molmil
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
3MD1
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BU of 3md1 by Molmil
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
6UH5
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BU of 6uh5 by Molmil
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
6UGM
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BU of 6ugm by Molmil
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
4GC5
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BU of 4gc5 by Molmil
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
4GC9
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BU of 4gc9 by Molmil
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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