6VII
 
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7T5S
 | | P. aeruginosa LpxA in complex with ligand H16 | | 分子名称: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, N~2~-(cyclohexylacetyl)-N-1H-tetrazol-5-yl-L-alaninamide | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2021-12-13 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
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7T5R
 | | P. aeruginosa LpxA in complex with ligand H7 | | 分子名称: | 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]-1H-indole-5-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, GLYCEROL | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2021-12-13 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
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5LZ8
 | | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | | 分子名称: | 5-[2-[(4~{S})-4-~{tert}-butyl-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 (2.11 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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7T5X
 | | P. aeruginosa LpxA in complex with ligand L6 | | 分子名称: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2021-12-13 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
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7T5Z
 | | P. aeruginosa LpxA in complex with ligand L8 | | 分子名称: | (4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DI(HYDROXYETHYL)ETHER | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2021-12-13 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
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5LZ2
 | | 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
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5LZ7
 | | 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
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3W95
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6VIH
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5MSX
 | | Glycoside hydrolase BT_3662 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM 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 (2.1 Å) | | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
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5MUI
 | | Glycoside hydrolase BT_0996 | | 分子名称: | Beta-galactosidase, beta-L-arabinofuranose-(1-2)-alpha-L-rhamnopyranose-(1-2)-[alpha-L-rhamnopyranose-(1-3)]alpha-L-arabinopyranose-(1-4)-[4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose-(1-2)]beta-D-galactopyranose-(1-2)-alpha-D-aceric acid-(1-3)-alpha-L-rhamnopyranose | | 著者 | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | | 登録日 | 2017-01-13 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
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5GN8
 | | Structure of a 48-mer protein nanocage fabricated from its 24-mer analogue by subunit interface redesign | | 分子名称: | CALCIUM ION, Ferritin heavy chain | | 著者 | Zhang, S, Zang, J, Zhao, G, Mikami, B. | | 登録日 | 2016-07-19 | | 公開日 | 2016-12-14 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.805 Å) | | 主引用文献 | "Silent" Amino Acid Residues at Key Subunit Interfaces Regulate the Geometry of Protein Nanocages
ACS Nano, 10, 2016
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5MWK
 | | Glycoside hydrolase BT_0986 | | 分子名称: | BROMIDE ION, CALCIUM ION, Glycoside hydrolase 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 | 2017-01-18 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
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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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5MQN
 | | Glycoside hydrolase BT_0986 | | 分子名称: | CALCIUM ION, Glycosyl hydrolases family 2, sugar binding domain | | 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 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
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2HNA
 | | Solution Structure of a bacterial apo-flavodoxin | | 分子名称: | Protein mioC | | 著者 | Hu, Y, Jin, C. | | 登録日 | 2006-07-12 | | 公開日 | 2006-09-19 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structures and backbone dynamics of a flavodoxin MioC from Escherichia coli in both Apo- and Holo-forms: implications for cofactor binding and electron transfer
J.Biol.Chem., 281, 2006
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6VIJ
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7T60
 | | P. aeruginosa LpxA in complex with ligand L13 | | 分子名称: | (3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ... | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2021-12-13 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
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7T61
 | | P. aeruginosa LpxA in complex with ligand L15 | | 分子名称: | (3S)-3-({[(Z)-phenylmethylidene]carbamoyl}amino)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, ACETATE ION, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ... | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2021-12-13 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
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8P9G
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB390 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide | | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | 登録日 | 2023-06-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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8P9H
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB437 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide | | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | 登録日 | 2023-06-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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8P9K
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB503 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | 登録日 | 2023-06-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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8P9I
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB462 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | 登録日 | 2023-06-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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