7UA7
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![BU of 7ua7 by Molmil](/molmil-images/mine/7ua7) | Crystal structure of indoline 9 with KPC-2 | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, tert-butyl {(3R)-3-[(1H-tetrazol-5-yl)carbamoyl]-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indol-3-yl}carbamate | 著者 | Akhtar, A, Chen, Y. | 登録日 | 2022-03-11 | 公開日 | 2023-03-15 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.247 Å) | 主引用文献 | Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors To Be Published
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7U8S
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![BU of 7u8s by Molmil](/molmil-images/mine/7u8s) | Crystal Structure of KPC-2 with compound 2 | 分子名称: | 3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide, Carbapenem-hydrolyzing beta-lactamase KPC | 著者 | Akhtar, A, Chen, Y. | 登録日 | 2022-03-09 | 公開日 | 2023-03-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors To Be Published
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7U70
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![BU of 7u70 by Molmil](/molmil-images/mine/7u70) | Crystal Structure of CTX-M-14 with compound 2 | 分子名称: | 3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide, Beta-lactamase | 著者 | Akhtar, A, Chen, Y. | 登録日 | 2022-03-07 | 公開日 | 2023-03-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors To Be Published
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6D1D
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![BU of 6d1d by Molmil](/molmil-images/mine/6d1d) | |
6D1I
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![BU of 6d1i by Molmil](/molmil-images/mine/6d1i) | |
6UEG
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![BU of 6ueg by Molmil](/molmil-images/mine/6ueg) | Pseudomonas aeruginosa LpxA Complex Structure with Ligand | 分子名称: | 3-({2-[(2R)-2-carbamoyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CALCIUM 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 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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6UEC
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![BU of 6uec by Molmil](/molmil-images/mine/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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6UEE
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![BU of 6uee by Molmil](/molmil-images/mine/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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6UED
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![BU of 6ued by Molmil](/molmil-images/mine/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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4CY1
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![BU of 4cy1 by Molmil](/molmil-images/mine/4cy1) | Crystal structure of the KANSL1-WDR5 complex. | 分子名称: | GLYCEROL, KAT8 REGULATORY NSL COMPLEX SUBUNIT 1, WD REPEAT-CONTAINING PROTEIN 5 | 著者 | Dias, J, Brettschneider, J, Cusack, S, Kadlec, J. | 登録日 | 2014-04-09 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural Analysis of the Kansl1/Wdr5/Kansl2 Complex Reveals that Wdr5 is Required for Efficient Assembly and Chromatin Targeting of the Nsl Complex. Genes Dev., 28, 2014
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4CY2
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![BU of 4cy2 by Molmil](/molmil-images/mine/4cy2) | Crystal structure of the KANSL1-WDR5-KANSL2 complex. | 分子名称: | KAT8 REGULATORY NSL COMPLEX SUBUNIT 1, KAT8 REGULATORY NSL COMPLEX SUBUNIT 2, WD REPEAT-CONTAINING PROTEIN 5 | 著者 | Dias, J, Brettschneider, J, Cusack, S, Kadlec, J. | 登録日 | 2014-04-09 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Analysis of the Kansl1/Wdr5/Kansl2 Complex Reveals that Wdr5 is Required for Efficient Assembly and Chromatin Targeting of the Nsl Complex. Genes Dev., 28, 2014
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4CY3
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![BU of 4cy3 by Molmil](/molmil-images/mine/4cy3) | Crystal structure of the NSL1-WDS complex. | 分子名称: | CG4699, ISOFORM D, GLYCEROL, ... | 著者 | Dias, J, Brettschneider, J, Cusack, S, Kadlec, J. | 登録日 | 2014-04-10 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural Analysis of the Kansl1/Wdr5/Kansl2 Complex Reveals that Wdr5 is Required for Efficient Assembly and Chromatin Targeting of the Nsl Complex. Genes Dev., 28, 2014
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4CY5
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![BU of 4cy5 by Molmil](/molmil-images/mine/4cy5) | Crystal structure of the NSL1-WDS-NSL2 complex. | 分子名称: | CG4699, ISOFORM D, DIM GAMMA-TUBULIN 1, ... | 著者 | Dias, J, Brettschneider, J, Cusack, S, Kadlec, J. | 登録日 | 2014-04-10 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Analysis of the Kansl1/Wdr5/Kansl2 Complex Reveals that Wdr5 is Required for Efficient Assembly and Chromatin Targeting of the Nsl Complex. Genes Dev., 28, 2014
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6D15
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![BU of 6d15 by Molmil](/molmil-images/mine/6d15) | Crystal structure of KPC-2 complexed with compound 1 | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2018-04-11 | 公開日 | 2019-04-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D1F
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6D1B
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![BU of 6d1b by Molmil](/molmil-images/mine/6d1b) | |
6D1H
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![BU of 6d1h by Molmil](/molmil-images/mine/6d1h) | |
6D1E
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![BU of 6d1e by Molmil](/molmil-images/mine/6d1e) | |
6D1K
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6D16
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![BU of 6d16 by Molmil](/molmil-images/mine/6d16) | Crystal structure of KPC-2 complexed with compound 2 | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2018-04-11 | 公開日 | 2019-04-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D1C
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![BU of 6d1c by Molmil](/molmil-images/mine/6d1c) | |
6D1G
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![BU of 6d1g by Molmil](/molmil-images/mine/6d1g) | |
6D1J
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![BU of 6d1j by Molmil](/molmil-images/mine/6d1j) | |
6D17
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![BU of 6d17 by Molmil](/molmil-images/mine/6d17) | Crystal structure of KPC-2 complexed with compound 3 | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2018-04-11 | 公開日 | 2019-04-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D18
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![BU of 6d18 by Molmil](/molmil-images/mine/6d18) | Crystal structure of KPC-2 complexed with compound 6 | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2018-04-11 | 公開日 | 2019-04-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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