7E1R
| Crystal structure of Dehydrogenase/isomerase FabX from Helicobacter pylori in complex with holo-ACP | 分子名称: | 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ... | 著者 | Zhou, J.S, Zhang, L, Zhang, L. | 登録日 | 2021-02-03 | 公開日 | 2021-12-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.795 Å) | 主引用文献 | Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis. Nat Commun, 12, 2021
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7E1S
| Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with octanoyl-ACP | 分子名称: | 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ... | 著者 | Zhou, J.S, Zhang, L, Zhang, L. | 登録日 | 2021-02-03 | 公開日 | 2021-12-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis. Nat Commun, 12, 2021
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4N7S
| Crystal structure of Tse3-Tsi3 complex with Zinc ion | 分子名称: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | 著者 | Shang, G.J. | 登録日 | 2013-10-16 | 公開日 | 2014-04-23 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | 主引用文献 | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism Mol.Microbiol., 92, 2014
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4N88
| Crystal structure of Tse3-Tsi3 complex with calcium ion | 分子名称: | CALCIUM ION, Uncharacterized protein | 著者 | Shang, G.J. | 登録日 | 2013-10-17 | 公開日 | 2014-04-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism Mol.Microbiol., 92, 2014
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4N80
| Crystal structure of Tse3-Tsi3 complex | 分子名称: | CALCIUM ION, Uncharacterized protein, ZINC ION | 著者 | Shang, G.J. | 登録日 | 2013-10-16 | 公開日 | 2014-04-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism Mol.Microbiol., 92, 2014
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7L7D
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7L7E
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5L2Z
| Factor VIIa in complex with the inhibitor 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid | 分子名称: | 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid, CALCIUM ION, Coagulation factor VII (Heavy Chain), ... | 著者 | Wei, A. | 登録日 | 2016-08-02 | 公開日 | 2016-09-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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5L2Y
| Factor VIIa in complex with the inhibitor 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,20-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6,8,10(21),16,19-hexaen-7-yl] cyclobutane-1-carboxylic acid | 分子名称: | 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclobutane-1-carboxylic acid, CALCIUM ION, Coagulation factor VII (Heavy Chain), ... | 著者 | Wei, A. | 登録日 | 2016-08-02 | 公開日 | 2016-09-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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7L5M
| Crystal Structure of the DiB-RM-split Protein | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lipocalin family protein, SODIUM ION, ... | 著者 | Bozhanova, N.G, Harp, J.M, Meiler, J. | 登録日 | 2020-12-22 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Computational redesign of a fluorogen activating protein with Rosetta. Plos Comput.Biol., 17, 2021
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7L5L
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7L5K
| Crystal structure of the DiB-RM protein | 分子名称: | DODECYL-BETA-D-MALTOSIDE, ISOPROPYL ALCOHOL, Lipocalin family protein, ... | 著者 | Bozhanova, N.G, Harp, J.M, Meiler, J. | 登録日 | 2020-12-22 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Computational redesign of a fluorogen activating protein with Rosetta. Plos Comput.Biol., 17, 2021
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7T9U
| Crystal structure of hSTING with an agonist (SHR169224) | 分子名称: | (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | 著者 | Chowdhury, R, Miller, M. | 登録日 | 2021-12-20 | 公開日 | 2022-12-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis. Sci Rep, 12, 2022
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7T9V
| Crystal structure of hSTING with the agonist, SHR171032 | 分子名称: | (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | 著者 | Chowdhury, R, Miller, M. | 登録日 | 2021-12-20 | 公開日 | 2022-12-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis. Sci Rep, 12, 2022
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7KNX
| Crystal structure of SND1 in complex with C-26-A6 | 分子名称: | 5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1, ... | 著者 | Kang, Y. | 登録日 | 2020-11-06 | 公開日 | 2021-12-08 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis. Nat Cancer, 3, 2022
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7KNW
| Crystal structure of SND1 in complex with C-26-A2 | 分子名称: | 5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1 | 著者 | Kang, Y. | 登録日 | 2020-11-06 | 公開日 | 2021-12-08 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis. Nat Cancer, 3, 2022
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8CY5
| CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 39 | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), N-{3-[1-(tert-butoxycarbonyl)piperidin-4-yl]propyl}adenosine, ... | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CXX
| CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 6 | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | 著者 | Horton, J.R, Zhou, J, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CY3
| CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 15 | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), N-[3-(4-aminophenyl)propyl]adenosine, ... | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CXS
| CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor MTA | 分子名称: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DNA Strand 1, ... | 著者 | Horton, J.R, Zhou, J, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CXV
| CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 3 | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | 著者 | Horton, J.R, Zhou, J, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CXY
| CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-(2-Phenethyl)adenosine (Compound 8) | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | 著者 | Horton, J.R, Zhou, J, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CXU
| CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 2 | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | 著者 | Horton, J.R, Zhou, J, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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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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8CY2
| CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor APNEA (Compound 9) | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | 著者 | Horton, J.R, Zhou, J, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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