3PN1
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![BU of 3pn1 by Molmil](/molmil-images/mine/3pn1) | Novel Bacterial NAD+-dependent DNA Ligase Inhibitors with Broad Spectrum Potency and Antibacterial Efficacy In Vivo | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-(butylsulfanyl)adenosine, DNA ligase | 著者 | Mills, S, Eakin, A, Buurman, E, Newman, J, Gao, N, Huynh, H, Johnson, K, Lahiri, S, Shapiro, A, Walkup, G, Wei, Y, Stokes, S. | 登録日 | 2010-11-18 | 公開日 | 2011-01-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Novel Bacterial NAD+-Dependent DNA Ligase Inhibitors with Broad-Spectrum Activity and Antibacterial Efficacy In Vivo. Antimicrob.Agents Chemother., 55, 2011
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6ZOQ
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![BU of 6zoq by Molmil](/molmil-images/mine/6zoq) | Oestrogen receptor ligand binding domain in complex with compound 16 | 分子名称: | Estrogen receptor, ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine | 著者 | Breed, J. | 登録日 | 2020-07-07 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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6ZOS
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![BU of 6zos by Molmil](/molmil-images/mine/6zos) | Oestrogen receptor ligand binding domain in complex with compound 18 | 分子名称: | 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine, Estrogen receptor | 著者 | Breed, J. | 登録日 | 2020-07-07 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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6ZOR
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![BU of 6zor by Molmil](/molmil-images/mine/6zor) | Oestrogen receptor ligand binding domain in complex with compound 28 | 分子名称: | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine, Estrogen receptor | 著者 | Breed, J. | 登録日 | 2020-07-07 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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7JWL
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![BU of 7jwl by Molmil](/molmil-images/mine/7jwl) | Crystal Structure of Pseudomonas aeruginosa Penicillin Binding Protein 3 (PAE-PBP3) bound to ETX0462 | 分子名称: | CHLORIDE ION, ETX0462 (Bound form), Peptidoglycan D,D-transpeptidase FtsI | 著者 | Mayclin, S.J, Abendroth, J, Horanyi, P.S, Sylvester, M, Wu, X, Shapiro, A, Moussa, S, Durand-Reville, T.F. | 登録日 | 2020-08-25 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Rational design of a new antibiotic class for drug-resistant infections. Nature, 597, 2021
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4NAH
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![BU of 4nah by Molmil](/molmil-images/mine/4nah) | Inhibitors of 4-Phosphopanthetheine Adenylyltransferase (PPAT) | 分子名称: | 2-[(2-{(1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1H-imidazole-5-carboxylic acid, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase | 著者 | Lahiri, S.D. | 登録日 | 2013-10-22 | 公開日 | 2014-03-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Discovery of inhibitors of 4'-phosphopantetheine adenylyltransferase (PPAT) to validate PPAT as a target for antibacterial therapy. Antimicrob.Agents Chemother., 57, 2013
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4NAU
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![BU of 4nau by Molmil](/molmil-images/mine/4nau) | S. aureus CoaD with Inhibitor | 分子名称: | 2-[2-[(1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidine-5-carboxamide, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase | 著者 | Lahiri, S.D. | 登録日 | 2013-10-22 | 公開日 | 2014-03-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy. Antimicrob.Agents Chemother., 57, 2013
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4NAT
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![BU of 4nat by Molmil](/molmil-images/mine/4nat) | Inhibitors of 4-Phosphopanthetheine Adenylyltransferase | 分子名称: | (1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Lahiri, S.D. | 登録日 | 2013-10-22 | 公開日 | 2014-03-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy. Antimicrob.Agents Chemother., 57, 2013
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4JZJ
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5VFD
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![BU of 5vfd by Molmil](/molmil-images/mine/5vfd) | Diazabicyclooctenone ETX2514 bound to Class D beta lactamase OXA-24 from A. baumannii | 分子名称: | (2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, (2S,5R)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide, Beta-lactamase, ... | 著者 | Olivier, N.B, Lahiri, S. | 登録日 | 2017-04-07 | 公開日 | 2017-06-07 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | ETX2514 is a broad-spectrum beta-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii. Nat Microbiol, 2, 2017
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