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6O36
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BU of 6o36 by Molmil
Crystal structure of human KRAS P34R mutant in complex with GNP
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Bera, A.K, Westover, K.D.
Deposit date:2019-02-26
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
6O46
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BU of 6o46 by Molmil
Crystal structure of human KRAS P34R mutant in complex with GNP and Phosphate
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Bera, A.K, Westover, K.D.
Deposit date:2019-02-28
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
6U8V
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BU of 6u8v by Molmil
Crystal structure of DNMT3B-DNMT3L in complex with CpGpT DNA
Descriptor: CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ...
Authors:Gao, L, Zhang, Z.M, Song, J.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020
6U8W
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BU of 6u8w by Molmil
Crystal structure of DNMT3B(K777A)-DNMT3L in complex with CpGpT DNA
Descriptor: CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ...
Authors:Gao, L, Zhang, Z.M, Song, J.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.94891548 Å)
Cite:Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020
6UX2
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BU of 6ux2 by Molmil
Crystal structure of ZIKV RdRp in complex with STAT2
Descriptor: Nonstructural Protein 5, SULFATE ION, Signal transducer and activator of transcription 2, ...
Authors:Wang, B, Song, J.
Deposit date:2019-11-06
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural basis for STAT2 suppression by flavivirus NS5.
Nat.Struct.Mol.Biol., 27, 2020
6W7F
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BU of 6w7f by Molmil
Structure of EED bound to inhibitor 5285
Descriptor: 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL, Polycomb protein EED
Authors:Petrunak, E.M, Stuckey, J.A.
Deposit date:2020-03-19
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
6W7G
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BU of 6w7g by Molmil
Structure of EED bound to inhibitor 1056
Descriptor: 8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, FORMIC ACID, Polycomb protein EED, ...
Authors:Petrunak, E.M, Stuckey, J.A.
Deposit date:2020-03-19
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
6WCZ
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BU of 6wcz by Molmil
CryoEM structure of full-length ZIKV NS5-hSTAT2 complex
Descriptor: Non-structural protein 5, Signal transducer and activator of transcription 2, ZINC ION
Authors:Boxiao, W, Stephanie, T, Kang, Z, Maria, T.S, Jian, F, Jiuwei, L, Linfeng, G, Wendan, R, Yanxiang, C, Ethan, C.V, HeaJin, H, Matthew, J.E, Sean, E.O, Adolfo, G.S, Hong, Z, Rong, H, Jikui, S.
Deposit date:2020-03-31
Release date:2020-07-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis for STAT2 suppression by flavivirus NS5.
Nat.Struct.Mol.Biol., 27, 2020
3D9Y
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BU of 3d9y by Molmil
Crystal Structure of Profilin from Schizosaccharomyces pombe
Descriptor: GLYCEROL, Profilin
Authors:Ezezika, O.C, Nolen, B.J, Pollard, T.D.
Deposit date:2008-05-28
Release date:2008-12-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Incompatibility with Formin Cdc12p Prevents Human Profilin from Substituting for Fission Yeast Profilin: INSIGHTS FROM CRYSTAL STRUCTURES OF FISSION YEAST PROFILIN.
J.Biol.Chem., 284, 2009
8DNT
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BU of 8dnt by Molmil
SARS-CoV-2 specific T cell receptor
Descriptor: Beta-2-microglobulin, MHC class I antigen alpha chain, Nucleoprotein, ...
Authors:Gallagher, D.T, Wu, D, Gowthaman, R, Pierce, B.G, Mariuzza, R.A, Weng, N.P.
Deposit date:2022-07-11
Release date:2023-07-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:SARS-CoV-2 infection establishes a stable and age-independent CD8 + T cell response against a dominant nucleocapsid epitope using restricted T cell receptors.
Nat Commun, 14, 2023
6MLT
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BU of 6mlt by Molmil
Crystal structure of the V. cholerae biofilm matrix protein Bap1
Descriptor: CALCIUM ION, CITRATE ANION, GLYCEROL, ...
Authors:Kaus, K, Biester, A, Chupp, E, Lu, K, Vidsudharomn, C, Olson, R.
Deposit date:2018-09-28
Release date:2019-08-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The 1.9 angstrom crystal structure of the extracellular matrix protein Bap1 fromVibrio choleraeprovides insights into bacterial biofilm adhesion.
J.Biol.Chem., 294, 2019
3DAV
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BU of 3dav by Molmil
Schizosaccharomyces Pombe Profilin crystallized from Sodium formate
Descriptor: Profilin, SODIUM ION
Authors:Ezezika, O.C, Nolen, B.J, Pollard, T.D.
Deposit date:2008-05-30
Release date:2008-12-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Incompatibility with Formin Cdc12p Prevents Human Profilin from Substituting for Fission Yeast Profilin: INSIGHTS FROM CRYSTAL STRUCTURES OF FISSION YEAST PROFILIN.
J.Biol.Chem., 284, 2009
7MSD
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BU of 7msd by Molmil
Structure of EED bound to EEDi-6068
Descriptor: (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED
Authors:Petrunak, E, Stuckey, J.
Deposit date:2021-05-11
Release date:2021-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression.
J.Med.Chem., 64, 2021
7MSB
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BU of 7msb by Molmil
Structure of EED bound to EEDi-4259
Descriptor: (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED
Authors:Petrunak, E, Stuckey, J.
Deposit date:2021-05-11
Release date:2021-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression.
J.Med.Chem., 64, 2021
6W8V
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BU of 6w8v by Molmil
Crystal structure of mouse DNMT1 in complex with ACG DNA
Descriptor: ACG DNA (5'-D(*AP*CP*TP*TP*AP*(C49)P*GP*GP*AP*AP*GP*G)-3'), ACG DNA (5'-D(*CP*CP*TP*TP*CP*(5CM)P*GP*TP*AP*AP*GP*T)-3'), DNA (cytosine-5)-methyltransferase 1, ...
Authors:Anteneh, H, Song, J.
Deposit date:2020-03-21
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:DNMT1 activity, base flipping mechanism and genome-wide DNA methylation are regulated by the DNA sequence context
Nat Commun, 2020
6W8W
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BU of 6w8w by Molmil
Crystal structure of mouse DNMT1 in complex with CCG DNA
Descriptor: CCG DNA (5'-D(*AP*CP*TP*TP*AP*(5CM)P*GP*GP*AP*AP*GP*G)-3'), CCG DNA (5'-D(*CP*CP*TP*TP*CP*(C49)P*GP*TP*AP*AP*GP*T)-3'), DNA (cytosine-5)-methyltransferase 1, ...
Authors:Anteneh, H, Song, J.
Deposit date:2020-03-21
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:DNMT1 activity, base flipping mechanism and genome-wide DNA methylation are regulated by the DNA sequence context
Nat Commun, 2020
7L4C
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BU of 7l4c by Molmil
Crystal structure of the DRM2-CTT DNA complex
Descriptor: DNA (5'-D(*AP*TP*TP*AP*TP*TP*AP*AP*TP*(C49)P*TP*TP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*AP*AP*GP*AP*TP*TP*AP*AP*TP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-18
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
7L4K
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BU of 7l4k by Molmil
Crystal structure of the DRM2-CCG DNA complex
Descriptor: DNA (5'-D(*AP*TP*TP*CP*CP*TP*AP*AP*TP*(C49)P*CP*GP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*CP*GP*GP*AP*TP*TP*AP*GP*GP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-19
Release date:2021-08-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
7L4H
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BU of 7l4h by Molmil
Crystal structure of the DRM2-CTG DNA complex
Descriptor: DNA (5'-D(*AP*TP*TP*CP*CP*TP*AP*AP*TP*(C49)P*TP*GP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*CP*AP*GP*AP*TP*TP*AP*GP*GP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-19
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
7L4N
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BU of 7l4n by Molmil
Crystal structure of the DRM2 (C397R)-CCG DNA complex
Descriptor: DNA (5'-D(*AP*TP*TP*CP*CP*TP*AP*AP*TP*(C49)P*CP*GP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*CP*GP*GP*AP*TP*TP*AP*GP*GP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-19
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.247 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
7L4M
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BU of 7l4m by Molmil
Crystal structure of the DRM2-CCT DNA complex
Descriptor: DNA (5'-D(*TP*AP*AP*AP*GP*GP*AP*GP*GP*AP*GP*GP*AP*GP*GP*AP*AP*T)-3'), DNA (5'-D(P*AP*TP*TP*CP*CP*TP*CP*CP*TP*(C49)P*CP*TP*CP*CP*TP*TP*TP*A)-3'), DNA (cytosine-5)-methyltransferase DRM2, ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-19
Release date:2021-08-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
7L4F
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BU of 7l4f by Molmil
Crystal structure of the DRM2-CAT DNA complex
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, DNA (5'-D(*AP*TP*TP*CP*CP*TP*CP*CP*TP*(C49)P*AP*TP*CP*CP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*GP*GP*AP*TP*GP*AP*GP*GP*AP*GP*GP*AP*AP*T)-3'), ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-19
Release date:2021-08-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
8GJN
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BU of 8gjn by Molmil
17B10 fab in complex with up-RBD of SARS-CoV-2 Spike G614 trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 17B10 Fab, Light chain of 17B10 Fab, ...
Authors:Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H.
Deposit date:2023-03-16
Release date:2023-04-05
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2.
J Med Virol, 95, 2023
7DAC
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BU of 7dac by Molmil
Human RIPK3 amyloid fibril revealed by solid-state NMR
Descriptor: Receptor-interacting serine/threonine-protein kinase 3
Authors:Wu, X.L, Zhang, J, Dong, X.Q, Liu, J, Li, B, Hu, H, Wang, J, Wang, H.Y, Lu, J.X.
Deposit date:2020-10-16
Release date:2021-04-28
Last modified:2024-05-01
Method:SOLID-STATE NMR
Cite:The structure of a minimum amyloid fibril core formed by necroptosis-mediating RHIM of human RIPK3.
Proc.Natl.Acad.Sci.USA, 118, 2021
7XLB
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BU of 7xlb by Molmil
Cryo-EM structure of human pannexin 2
Descriptor: Pannexin-2
Authors:Hang, Z, Huawei, Z, Daping, W.
Deposit date:2022-04-21
Release date:2023-03-15
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Cryo-EM structure of human heptameric pannexin 2 channel
Nat Commun, 14, 2023

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数据于2024-10-30公开中

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