7S73
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37 | 分子名称: | (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name), 3C-like proteinase | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | 登録日 | 2021-09-15 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7S75
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI42 | 分子名称: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | 登録日 | 2021-09-15 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7S6X
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI30 | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | 登録日 | 2021-09-15 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7S72
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI36 | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | 登録日 | 2021-09-15 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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1KO6
| Crystal Structure of C-terminal Autoproteolytic Domain of Nucleoporin Nup98 | 分子名称: | Nuclear Pore Complex Protein Nup98 | 著者 | Hodel, A.E, Hodel, M.R, Griffis, E.R, Hennig, K.A, Ratner, G.A, Songli, X, Powers, M.A. | 登録日 | 2001-12-20 | 公開日 | 2002-09-04 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The three-dimensional structure of the autoproteolytic, nuclear pore-targeting domain of the human nucleoporin Nup98. Mol.Cell, 10, 2002
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3DS6
| P38 complex with a phthalazine inhibitor | 分子名称: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | 著者 | Herberich, B, Syed, R, Li, V, Grosfeld, D. | 登録日 | 2008-07-11 | 公開日 | 2008-10-07 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J.Med.Chem., 51, 2008
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3DT1
| P38 Complexed with a quinazoline inhibitor | 分子名称: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | 著者 | Herberich, B, Syed, R, Li, V, Tasker, A.S. | 登録日 | 2008-07-14 | 公開日 | 2008-10-14 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J.Med.Chem., 51, 2008
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5XKD
| Crystal structure of dibenzothiophene sulfone monooxygenase BdsA in complex with FMN at 2.4 angstrom | 分子名称: | Dibenzothiophene desulfurization enzyme A, FLAVIN MONONUCLEOTIDE | 著者 | Gu, L, Su, T, Liu, S, Su, J. | 登録日 | 2017-05-07 | 公開日 | 2018-05-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.393 Å) | 主引用文献 | Structural and Biochemical Characterization of BdsA fromBacillus subtilisWU-S2B, a Key Enzyme in the "4S" Desulfurization Pathway. Front Microbiol, 9, 2018
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5XKC
| Crystal structure of dibenzothiophene sulfone monooxygenase BdsA at 2.2 angstrome | 分子名称: | Dibenzothiophene desulfurization enzyme A | 著者 | Gu, L, Su, T, Liu, S, Su, J. | 登録日 | 2017-05-07 | 公開日 | 2018-05-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.209 Å) | 主引用文献 | Structural and Biochemical Characterization of BdsA fromBacillus subtilisWU-S2B, a Key Enzyme in the "4S" Desulfurization Pathway. Front Microbiol, 9, 2018
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3EFJ
| Structure of c-Met with pyrimidone inhibitor 7 | 分子名称: | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor | 著者 | D'Angelo, N, Bellon, S, Whittington, D. | 登録日 | 2008-09-09 | 公開日 | 2008-10-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Design, synthesis, and biological evaluation of potent c-Met inhibitors. J.Med.Chem., 51, 2008
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6KNW
| THRb mutation with a novel agonist | 分子名称: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta | 著者 | Yao, B.Q, Li, Y. | 登録日 | 2019-08-07 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance. Iscience, 20, 2019
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6KNV
| THRb mutation with a novel agonist | 分子名称: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta | 著者 | Yao, B.Q, Li, Y. | 登録日 | 2019-08-07 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance. Iscience, 20, 2019
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6KKE
| THRb mutation with a novel agonist | 分子名称: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, SRC2-3, Thyroid hormone receptor beta | 著者 | Yao, B.Q, Li, Y. | 登録日 | 2019-07-25 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.577 Å) | 主引用文献 | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance. Iscience, 20, 2019
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6KKB
| A novel agonist of THRb | 分子名称: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, SRC2-3, Thyroid hormone receptor beta | 著者 | Yao, B.Q, Li, Y. | 登録日 | 2019-07-24 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance. Iscience, 20, 2019
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6KNU
| THRb mutation with a novel agonist | 分子名称: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta | 著者 | Yao, B.Q, Li, Y. | 登録日 | 2019-08-07 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance. Iscience, 20, 2019
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7JQ2
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7JNT
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7JPY
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7JS8
| STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ETHYL KETONE INHIBITOR CONTAINING A SPIRO-BICYCLIC GROUP (COMPOUND 22) | 分子名称: | (1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Klein, D.J, Yu, W. | 登録日 | 2020-08-14 | 公開日 | 2021-08-11 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.634 Å) | 主引用文献 | Discovery of Ethyl Ketone-Based Highly Selective HDACs 1, 2, 3 Inhibitors for HIV Latency Reactivation with Minimum Cellular Potency Serum Shift and Reduced hERG Activity. J.Med.Chem., 64, 2021
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7JQ4
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7JOU
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7JQ0
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7JOV
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7JQ1
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7JPZ
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI1 | 分子名称: | (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase | 著者 | Yang, K, Liu, W. | 登録日 | 2020-08-10 | 公開日 | 2020-12-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*. Chemmedchem, 16, 2021
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