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8I1Y
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BU of 8i1y by Molmil
The structure of E. coli TrpRS bound with a chemical fragment
分子名称: 5-ethanoylthiophene-2-carbonitrile, SULFATE ION, TRYPTOPHANYL-5'AMP, ...
著者Xiang, M, Zhou, H.
登録日2023-01-13
公開日2023-04-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
8I2L
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BU of 8i2l by Molmil
E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface
分子名称: 1,2-ETHANEDIOL, CHLORZOXAZONE, SULFATE ION, ...
著者Xiang, M, Zhou, H.
登録日2023-01-14
公開日2023-04-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
5IN1
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BU of 5in1 by Molmil
Crystal Structure of the MRG701 chromodomain
分子名称: 1,2-ETHANEDIOL, MRG701, SULFATE ION
著者Huang, Y, Liu, Y.
登録日2016-03-07
公開日2017-03-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural studies on MRG701 chromodomain reveal a novel dimerization interface of MRG proteins in green plants
Protein Cell, 7, 2016
8F1G
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BU of 8f1g by Molmil
Crystal structure of human WDR5 in complex with compound WM662
分子名称: (2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid, GLYCEROL, SULFATE ION, ...
著者Liu, H.
登録日2022-11-05
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Discovery of Potent Small-Molecule Inhibitors of WDR5-MYC Interaction.
Acs Chem.Biol., 18, 2023
6BRR
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BU of 6brr by Molmil
Crystal structure of DNMT3A (R836A)-DNMT3L in complex with DNA containing two CpG sites
分子名称: DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, ...
著者Zhang, Z.M, Song, J.
登録日2017-11-30
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Structural basis for DNMT3A-mediated de novo DNA methylation.
Nature, 554, 2018
6D1W
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BU of 6d1w by Molmil
human PKD2 F604P mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystin-2
著者Zheng, W, Yang, X, Bulkley, D, Chen, X.Z, Cao, E.
登録日2018-04-12
公開日2018-06-27
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Hydrophobic pore gates regulate ion permeation in polycystic kidney disease 2 and 2L1 channels.
Nat Commun, 9, 2018
4PLI
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BU of 4pli by Molmil
Structure of the chromodomain of MRG2 in complex with H3K36me3
分子名称: At1g02740, H3K36me3
著者Liu, Y, Huang, Y.
登録日2014-05-18
公開日2015-07-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Regulation of arabidopsis flowering by the histone mark readers MRG1/2 via interaction with CONSTANS to modulate FT expression.
Plos Genet., 10, 2014
4PLL
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BU of 4pll by Molmil
Structure of the chromodaomain of MRG2 in complex with H3K36me3
分子名称: At1g02740, H3K36me3
著者Liu, Y, Huang, Y.
登録日2014-05-18
公開日2015-07-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Regulation of arabidopsis flowering by the histone mark readers MRG1/2 via interaction with CONSTANS to modulate FT expression.
Plos Genet., 10, 2014
4PL6
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BU of 4pl6 by Molmil
Structure of the chromodomain of MRG2 in complex with H3K4me3
分子名称: At1g02740, H3K4me3
著者Liu, Y.C, Huang, Y.
登録日2014-05-16
公開日2015-07-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.681 Å)
主引用文献Regulation of arabidopsis flowering by the histone mark readers MRG1/2 via interaction with CONSTANS to modulate FT expression.
Plos Genet., 10, 2014
7T31
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BU of 7t31 by Molmil
X-ray Structure of Clostridiodies difficile PilW
分子名称: Maltose/maltodextrin-binding periplasmic protein,Putative pilin protein chimera
著者Ronish, L.A, Piepenbrink, K.H.
登録日2021-12-06
公開日2022-10-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Recognition of extracellular DNA by type IV pili promotes biofilm formation by Clostridioides difficile.
J.Biol.Chem., 298, 2022
7TRM
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BU of 7trm by Molmil
Crystal structure of human BIRC2 BIR3 domain in complex with inhibitor LCL-161
分子名称: 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 2, LCL-161, ...
著者Tencer, A.H, Klein, B.J, Kutateladze, T.G.
登録日2022-01-29
公開日2023-08-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for nuclear accumulation and targeting of the inhibitor of apoptosis BIRC2.
Nat.Struct.Mol.Biol., 30, 2023
7TRL
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BU of 7trl by Molmil
Crystal structure of human BIRC2 BIR3 domain in complex with histone H3
分子名称: 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 2, Histone H3, ...
著者Klein, B.J, Tencer, A.H, Kutateladze, T.G.
登録日2022-01-29
公開日2023-08-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Molecular basis for nuclear accumulation and targeting of the inhibitor of apoptosis BIRC2.
Nat.Struct.Mol.Biol., 30, 2023
8QHE
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BU of 8qhe by Molmil
Crystal structure IR-09
分子名称: 6-phosphogluconate dehydrogenase NADP-binding domain-containing protein, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Levy, C.W.
登録日2023-09-07
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Biocatalysis in Drug Design: Engineered Reductive Aminases (RedAms) Are Used to Access Chiral Building Blocks with Multiple Stereocenters.
J.Am.Chem.Soc., 145, 2023
1IEZ
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BU of 1iez by Molmil
Solution Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase of Riboflavin Biosynthesis
分子名称: 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase
著者Kelly, M.J.S, Ball, L.J, Kuhne, R, Bacher, A, Oschkinat, H.
登録日2001-04-11
公開日2001-11-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The NMR structure of the 47-kDa dimeric enzyme 3,4-dihydroxy-2-butanone-4-phosphate synthase and ligand binding studies reveal the location of the active site.
Proc.Natl.Acad.Sci.USA, 98, 2001
3LB9
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BU of 3lb9 by Molmil
Crystal structure of the B. circulans cpA123 circular permutant
分子名称: Endo-1,4-beta-xylanase
著者D'Angelo, I, Reitinger, S, Ludwiczek, M, Strynadka, N, Withers, S.G, Mcintosh, L.P.
登録日2010-01-08
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Circular permutation of Bacillus circulans xylanase: a kinetic and structural study.
Biochemistry, 49, 2010
5GXO
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BU of 5gxo by Molmil
Discovery of a compound that activates SIRT3 to deacetylate Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
著者Lu, J, Li, J, Wu, M, Wang, J, Xia, Q.
登録日2016-09-19
公開日2017-08-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A small molecule activator of SIRT3 promotes deacetylation and activation of manganese superoxide dismutase.
Free Radic. Biol. Med., 112, 2017
8EE4
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BU of 8ee4 by Molmil
Structure of PtuA
分子名称: ADENOSINE-5'-TRIPHOSPHATE, PtuA
著者Shen, Z.F, Fu, T.M.
登録日2022-09-06
公開日2024-01-03
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献PtuA and PtuB assemble into an inflammasome-like oligomer for anti-phage defense.
Nat.Struct.Mol.Biol., 31, 2024
8DS5
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BU of 8ds5 by Molmil
X-ray structure of the MK5890 Fab - CD27 antibody-antigen complex
分子名称: CADMIUM ION, CD27 antigen, MK-5890 Fab heavy chain, ...
著者Fischmann, T.O.
登録日2022-07-21
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.926 Å)
主引用文献Preclinical characterization and clinical translation of pharmacodynamic markers for MK-5890: a human CD27 activating antibody for cancer immunotherapy.
J Immunother Cancer, 10, 2022
8E5A
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BU of 8e5a by Molmil
Human L-type voltage-gated calcium channel Cav1.3 treated with 1.4 mM Sofosbuvir at 3.3 Angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
3ME3
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BU of 3me3 by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline, Pyruvate kinase isozymes M1/M2, ...
著者Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis.
Nat.Chem.Biol., 8, 2012
8E57
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BU of 8e57 by Molmil
Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 100 microM MNI-1 at 2.8 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
8E58
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Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 1 mM MNI-1 at 3.0 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
8E56
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Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone at 2.8 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
8E5B
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BU of 8e5b by Molmil
Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone and Sofosbuvir at 3.3 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
8E59
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Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone at 3.1 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022

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