6FS1
| MCL1 in complex with an indole acid ligand | 分子名称: | 1,2-ETHANEDIOL, 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Kasmirski, S, Hargreaves, D. | 登録日 | 2018-02-18 | 公開日 | 2018-12-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia. Nat Commun, 9, 2018
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6FS2
| MCL1 in complex with indole acid ligand | 分子名称: | 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Hargreaves, D. | 登録日 | 2018-02-18 | 公開日 | 2018-12-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia. Nat Commun, 9, 2018
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2IBG
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2IBB
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2IC2
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5BWA
| Crystal structure of ODC-PLP-AZ1 ternary complex | 分子名称: | Ornithine decarboxylase, Ornithine decarboxylase antizyme 1, PYRIDOXAL-5'-PHOSPHATE | 著者 | Wu, D.H. | 登録日 | 2015-06-07 | 公開日 | 2015-12-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural basis of Ornithine Decarboxylase inactivation and accelerated degradation by polyamine sensor Antizyme1 Sci Rep, 5, 2015
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5ECE
| Tankyrase 1 with Phthalazinone 1 | 分子名称: | 1,2-ETHANEDIOL, 2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, ACETATE ION, ... | 著者 | Kazmirski, S.L, Johannes, J, Read, J.A, Howard, T, Larsen, N.A, Ferguson, A.D. | 登録日 | 2015-10-20 | 公開日 | 2015-11-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering. Bioorg.Med.Chem.Lett., 25, 2015
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5V9P
| Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A | 分子名称: | Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ... | 著者 | Kiefer, J.R, Liang, J, Vinogradova, M. | 登録日 | 2017-03-23 | 公開日 | 2017-05-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5EBT
| Tankyrase 1 with Phthalazinone 2 | 分子名称: | (R,R)-2,3-BUTANEDIOL, 4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one, Tankyrase-1, ... | 著者 | Kazmirski, S.L, Johannes, J. | 登録日 | 2015-10-19 | 公開日 | 2016-03-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering. Bioorg.Med.Chem.Lett., 25, 2015
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5V9T
| Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48) | 分子名称: | Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) ION, ... | 著者 | Kiefer, J.R, Liang, J, Vinogradova, M. | 登録日 | 2017-03-23 | 公開日 | 2017-05-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5WOP
| High Resolution Structure of Mutant CA09-PB2cap | 分子名称: | GLYCEROL, Polymerase PB2 | 著者 | Constantinides, A.E, Gumpper, R.H, Severin, C, Luo, M. | 登録日 | 2017-08-02 | 公開日 | 2017-12-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | High-resolution structure of the Influenza A virus PB2cap binding domain illuminates the changes induced by ligand binding. Acta Crystallogr F Struct Biol Commun, 74, 2018
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4O0Z
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4NLD
| Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with BMS-791325 also known as (1aR,12bS)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide and 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide | 分子名称: | (1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, ... | 著者 | Sheriff, S. | 登録日 | 2013-11-14 | 公開日 | 2014-03-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase. J.Med.Chem., 57, 2014
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4O10
| Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation by Human Nicotinamide Phosphoribosyltransferase | 分子名称: | 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide, Nicotinamide phosphoribosyltransferase, ... | 著者 | Oh, A, Wang, W. | 登録日 | 2013-12-14 | 公開日 | 2014-06-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural and biochemical analyses of the catalysis and potency impact of inhibitor phosphoribosylation by human nicotinamide phosphoribosyltransferase. Chembiochem, 15, 2014
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6M67
| The Cryo-EM Structure of Human Pannexin 1 with D376E/D379E Mutation | 分子名称: | Pannexin-1 | 著者 | Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S. | 登録日 | 2020-03-13 | 公開日 | 2020-04-15 | 最終更新日 | 2020-05-13 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Cryo-EM structures of human pannexin 1 channel. Cell Res., 30, 2020
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6M68
| The Cryo-EM Structure of Human Pannexin 1 in the Presence of CBX | 分子名称: | Pannexin-1 | 著者 | Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S. | 登録日 | 2020-03-13 | 公開日 | 2020-04-15 | 最終更新日 | 2020-05-13 | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | 主引用文献 | Cryo-EM structures of human pannexin 1 channel. Cell Res., 30, 2020
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6M66
| The Cryo-EM Structure of Human Pannexin 1 | 分子名称: | Pannexin-1 | 著者 | Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S. | 登録日 | 2020-03-13 | 公開日 | 2020-04-15 | 最終更新日 | 2020-05-13 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Cryo-EM structures of human pannexin 1 channel. Cell Res., 30, 2020
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2KW0
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5H0O
| Crystal structure of deep-sea thermophilic bacteriophage GVE2 HNH endonuclease with manganese ion | 分子名称: | HNH endonuclease, MANGANESE (II) ION | 著者 | Zhang, L.K, Xu, D.D, Huang, Y.C, Gong, Y. | 登録日 | 2016-10-06 | 公開日 | 2017-03-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Structural and functional characterization of deep-sea thermophilic bacteriophage GVE2 HNH endonuclease. Sci Rep, 7, 2017
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5H0M
| Crystal structure of deep-sea thermophilic bacteriophage GVE2 HNH endonuclease with zinc ion | 分子名称: | HNH endonuclease, ZINC ION | 著者 | Zhang, L.K, Xu, D.D, Huang, Y.C, Gong, Y. | 登録日 | 2016-10-05 | 公開日 | 2017-03-08 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Structural and functional characterization of deep-sea thermophilic bacteriophage GVE2 HNH endonuclease Sci Rep, 7, 2017
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7LO7
| NorA in complex with Fab25 | 分子名称: | Fab25 Heavy Chain, Fab25 Light Chain, Quinolone resistance protein NorA | 著者 | Brawley, D.N, Sauer, D.B, Song, J.M, Koide, A, Koide, S, Traaseth, N.J, Wang, D.N. | 登録日 | 2021-02-09 | 公開日 | 2022-04-20 | 最終更新日 | 2022-07-13 | 実験手法 | ELECTRON MICROSCOPY (3.74 Å) | 主引用文献 | Structural basis for inhibition of the drug efflux pump NorA from Staphylococcus aureus. Nat.Chem.Biol., 18, 2022
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7LO8
| NorA in complex with Fab36 | 分子名称: | Fab36 Heavy Chain, Fab36 Light Chain, Quinolone resistance protein NorA | 著者 | Brawley, D.N, Sauer, D.B, Song, J.M, Koide, A, Koide, S, Traaseth, N.J, Wang, D.N. | 登録日 | 2021-02-09 | 公開日 | 2022-04-20 | 最終更新日 | 2022-07-13 | 実験手法 | ELECTRON MICROSCOPY (3.16 Å) | 主引用文献 | Structural basis for inhibition of the drug efflux pump NorA from Staphylococcus aureus. Nat.Chem.Biol., 18, 2022
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6FS0
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3QGH
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3QGI
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