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6OD5
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BU of 6od5 by Molmil
Human TCF4 C-terminal bHLH domain in Complex with 12-bp Oligonucleotide Containing E-box Sequence with 5-carboxylcytosines
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*AP*(1CC)P*GP*CP*AP*CP*GP*TP*GP*(1CC)P*G)-3'), ...
著者Horton, J.R, Cheng, X, Yang, J.
登録日2019-03-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine.
Nucleic Acids Res., 47, 2019
6OD3
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BU of 6od3 by Molmil
Human TCF4 C-terminal bHLH domain in Complex with 13-bp Oligonucleotide Containing E-box Sequence
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*AP*TP*AP*CP*AP*CP*GP*TP*GP*TP*AP*T)-3'), ...
著者Horton, J.R, Cheng, X, Yang, J.
登録日2019-03-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.494 Å)
主引用文献Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine.
Nucleic Acids Res., 47, 2019
6OD4
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BU of 6od4 by Molmil
Human TCF4 C-terminal bHLH domain in Complex with 11-bp Oligonucleotide Containing E-box Sequence
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*CP*AP*CP*GP*TP*GP*TP*A)-3'), Transcription factor 4
著者Horton, J.R, Cheng, X, Yang, J.
登録日2019-03-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine.
Nucleic Acids Res., 47, 2019
6KIF
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BU of 6kif by Molmil
Structure of cyanobacterial photosystem I-IsiA-flavodoxin supercomplex
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Cao, P, Cao, D.F, Si, L, Su, X.D, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M.
登録日2019-07-18
公開日2020-02-12
最終更新日2020-03-04
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for energy and electron transfer of the photosystem I-IsiA-flavodoxin supercomplex.
Nat.Plants, 6, 2020
7RNV
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BU of 7rnv by Molmil
SH2 domain of guanine nucleotide exchange factor Vav2 in complex with an actin peptide with phosphorylated tyrosine 53
分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2021-07-29
公開日2021-08-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
7RNS
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BU of 7rns by Molmil
nSH2 domain of p85-alpha subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53
分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2021-07-29
公開日2021-08-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
7RN0
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BU of 7rn0 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-57-3R
分子名称: (2R)-2-{acetyl[4-(1H-pyrrol-1-yl)phenyl]amino}-N-[(1S)-1-phenylethyl]-2-(pyridin-3-yl)acetamide, 3C-like proteinase, GLYCEROL
著者Sacco, M, Chen, Y.
登録日2021-07-28
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
7RNU
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BU of 7rnu by Molmil
nSH2 domain of p85-beta subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53
分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2021-07-29
公開日2021-08-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
7RN1
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BU of 7rn1 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-62-2R
分子名称: 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide, ...
著者Sacco, M, Chen, Y.
登録日2021-07-28
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
6WEA
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BU of 6wea by Molmil
YTH domain of human YTHDC1 with a 10mer Oligo Containing N6mA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*CP*GP*GP*(6MA)P*CP*TP*TP*C)-3'), SODIUM ION, ...
著者Horton, J.R, Cheng, X.
登録日2020-04-01
公開日2020-07-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biochemical and structural basis for YTH domain of human YTHDC1 binding to methylated adenine in DNA.
Nucleic Acids Res., 48, 2020
7REP
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BU of 7rep by Molmil
Crystal structure of an engineered variant of single-chain Penicillin G Acylase from Kluyvera cryocrescens (A1-Ac Rd3CHis)
分子名称: CALCIUM ION, Penicillin G acylase, phenylmethanesulfonic acid
著者Orth, P.
登録日2021-07-13
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.192 Å)
主引用文献A chemoenzymatic strategy for site-selective functionalization of native peptides and proteins.
Science, 376, 2022
7REO
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BU of 7reo by Molmil
Crystal structure of an engineered variant of single-chain Penicillin G Acylase from Kluyvera cryocrescens (global hydrolysis Rd3CHis)
分子名称: CALCIUM ION, Penicillin G Acylase
著者Orth, P.
登録日2021-07-13
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.812 Å)
主引用文献A chemoenzymatic strategy for site-selective functionalization of native peptides and proteins.
Science, 376, 2022
6PBD
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BU of 6pbd by Molmil
DNA N6-Adenine Methyltransferase CcrM In Complex with Double-Stranded DNA Oligonucleotide Containing Its Recognition Sequence GAATC
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*TP*CP*AP*AP*TP*GP*AP*AP*TP*CP*CP*CP*AP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*TP*GP*GP*GP*AP*TP*TP*CP*AP*TP*TP*GP*AP*AP*TP*C)-3'), ...
著者Horton, J.R, Cheng, X, Woodcock, C.B.
登録日2019-06-13
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.343 Å)
主引用文献The cell cycle-regulated DNA adenine methyltransferase CcrM opens a bubble at its DNA recognition site.
Nat Commun, 10, 2019
7Y3V
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BU of 7y3v by Molmil
Crystal structure of CdpNPT in complex with harmane
分子名称: 1-methyl-9H-pyrido[3,4-b]indole, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION
著者Nakashima, Y, Morita, H.
登録日2022-06-13
公開日2023-04-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Catalytic potential of a fungal indole prenyltransferase toward beta-carbolines, harmine and harman, and their prenylation effects on antibacterial activity.
J.Biosci.Bioeng., 134, 2022
7XVJ
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BU of 7xvj by Molmil
Crystal structure of CdpNPT in complex with harmol
分子名称: 1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION
著者Nakashima, Y, Morita, H.
登録日2022-05-24
公開日2023-04-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Enzymatic formation of a prenyl beta-carboline by a fungal indole prenyltransferase.
J Nat Med, 76, 2022
6WK2
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BU of 6wk2 by Molmil
SETD3 mutant (N255V) in Complex with an Actin Peptide with His73 Replaced with Methionine
分子名称: 1,2-ETHANEDIOL, Actin, cytoplasmic 2, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2020-04-15
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Characterization of SETD3 methyltransferase-mediated protein methionine methylation.
J.Biol.Chem., 295, 2020
6WE9
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BU of 6we9 by Molmil
YTH domain of human YTHDC1 with 11mer ssDNA Containing N6mA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*CP*GP*GP*(6MA)P*CP*TP*CP*TP*G)-3'), GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2020-04-01
公開日2020-07-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Biochemical and structural basis for YTH domain of human YTHDC1 binding to methylated adenine in DNA.
Nucleic Acids Res., 48, 2020
6KIG
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BU of 6kig by Molmil
Structure of cyanobacterial photosystem I-IsiA supercomplex
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Cao, P, Cao, D.F, Si, L, Su, X.D, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M.
登録日2019-07-18
公開日2020-02-12
最終更新日2020-03-04
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for energy and electron transfer of the photosystem I-IsiA-flavodoxin supercomplex.
Nat.Plants, 6, 2020
5E6H
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BU of 5e6h by Molmil
A Linked Jumonji Domain of the KDM5A Lysine Demethylase
分子名称: 2-OXOGLUTARIC ACID, GLYCEROL, Lysine-specific demethylase 5A, ...
著者Horton, J.R, Cheng, X.
登録日2015-10-09
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.238 Å)
主引用文献Characterization of a Linked Jumonji Domain of the KDM5/JARID1 Family of Histone H3 Lysine 4 Demethylases.
J.Biol.Chem., 291, 2016
6JNY
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BU of 6jny by Molmil
Crystal structure of bacteriophage 21 Q protein
分子名称: Antiterminator Q protein
著者Feng, Y, Shi, J.
登録日2019-03-18
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structural basis of Q-dependent transcription antitermination.
Nat Commun, 10, 2019
5LZ4
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BU of 5lz4 by Molmil
Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称: 5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase
著者Woolford, A, Day, P.
登録日2016-09-29
公開日2016-12-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
5LZ2
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BU of 5lz2 by Molmil
Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称: 3-cyano-~{N}-cyclopropyl-benzenesulfonamide, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ...
著者Woolford, A, Day, P.
登録日2016-09-29
公開日2016-12-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
5LZ7
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BU of 5lz7 by Molmil
Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称: 2-fluoranyl-5-[2-[(4~{R})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase
著者Woolford, A, Day, P.
登録日2016-09-29
公開日2016-12-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
6OOH
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BU of 6ooh by Molmil
CTX-M-27 Beta Lactamase with Compound 14
分子名称: 3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase
著者Kemp, M, Chen, Y.
登録日2019-04-23
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase.
Org Chem Front, 6, 2019
5MSY
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BU of 5msy by Molmil
Glycoside hydrolase BT_1012
分子名称: AMMONIA, Glycoside hydrolase, PHOSPHATE ION
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2017-01-06
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017

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件を2024-09-11に公開中

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