6WTT
 
 | | Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376 | | 分子名称: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | 著者 | Sacco, M, Ma, C, Chen, Y, Wang, J. | | 登録日 | 2020-05-03 | | 公開日 | 2020-05-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease.
Cell Res., 30, 2020
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5MQM
 | | Glycoside hydrolase BT_0986 | | 分子名称: | CALCIUM ION, D-rhamnopyranose tetrazole, Glycosyl hydrolases family 2, ... | | 著者 | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | | 登録日 | 2016-12-20 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
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5KL3
 | | Wilms Tumor Protein (WT1) ZnF2-4 Q369H in complex with DNA | | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ... | | 著者 | Hashimoto, H, Cheng, X. | | 登録日 | 2016-06-23 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.449 Å) | | 主引用文献 | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
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5GZN
 | | Structure of neutralizing antibody bound to Zika envelope protein | | 分子名称: | Antibody Heavy chain, Antibody light chain, Genome polyprotein | | 著者 | Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F. | | 登録日 | 2016-09-29 | | 公開日 | 2016-12-28 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
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8F8Y
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6UEC
 | | Pseudomonas aeruginosa LpxD Complex Structure with Ligand | | 分子名称: | 4-(naphthalen-1-yl)-4-oxobutanoic acid, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | 著者 | Chen, Y, Kroeck, K, Sacco, M. | | 登録日 | 2019-09-20 | | 公開日 | 2019-11-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
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7RCU
 | | Synthetic Max homodimer mimic in complex with DNA | | 分子名称: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 2-(2,5-dioxopyrrolidin-1-yl)acetamide, ACETAMIDE, ... | | 著者 | Speltz, T, Qiao, Z, Shangguan, S, Fanning, S, Greene, J, Moellering, R. | | 登録日 | 2021-07-08 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Targeting MYC with modular synthetic transcriptional repressors derived from bHLH DNA-binding domains.
Nat.Biotechnol., 41, 2023
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5LYY
 | | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | | 分子名称: | 3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione, 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 (2.17 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
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8FS2
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907) | | 分子名称: | 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ... | | 著者 | Zhou, J, Horton, J.R, Cheng, X. | | 登録日 | 2023-01-09 | | 公開日 | 2023-05-10 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
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6UEE
 | | Pseudomonas aeruginosa LpxA Complex Structure with Ligand | | 分子名称: | 4-(naphthalen-1-yl)-4-oxobutanoic acid, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, GLYCEROL | | 著者 | Chen, Y, Kroeck, K, Sacco, M. | | 登録日 | 2019-09-20 | | 公開日 | 2019-11-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
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6WE8
 | | YTH domain of human YTHDC1 | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE 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 (1.18 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
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6UN3
 | | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with ticarcillin | | 分子名称: | (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CALCIUM ION, GLYCEROL, ... | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2019-10-10 | | 公開日 | 2019-10-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
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5LZ9
 | | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | | 分子名称: | 2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-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 (2.06 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
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6KIG
 | | 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
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6UN1
 | | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with temocillin | | 分子名称: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2019-10-10 | | 公開日 | 2019-10-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
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5LZ5
 | | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | | 分子名称: | 2-fluoranyl-5-[2-[(4~{S})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | | 著者 | Woolford, A.J.A, Day, P.J. | | 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 (2.05 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
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5KL7
 | | Wilms Tumor Protein (WT1) ZnF2-4Q369R in complex with carboxylated DNA | | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(1CC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ... | | 著者 | Hashimoto, H, Cheng, X. | | 登録日 | 2016-06-23 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.579 Å) | | 主引用文献 | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
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5LCV
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6KIF
 | | 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
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6UNB
 | | Crystal structure of CTX-M-14 in complex with temocillin | | 分子名称: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Beta-lactamase, PHOSPHATE ION | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2019-10-11 | | 公開日 | 2019-10-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
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6UED
 | | Apo Pseudomonas aeruginosa LpxD Structure | | 分子名称: | GLYCEROL, MAGNESIUM ION, UDP-3-O-acylglucosamine N-acyltransferase | | 著者 | Chen, Y, Kroeck, K, Sacco, M. | | 登録日 | 2019-09-20 | | 公開日 | 2019-11-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
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2FKC
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2LI6
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2FLC
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2FKH
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