2N7L
 
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2OJ9
 | | Structure of IGF-1R kinase domain complexed with a benzimidazole inhibitor | | 分子名称: | 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE, Insulin-like growth factor 1 receptor precursor (EC 2.7.10.1) (Insulin-like growth factor I receptor) (IGF-I receptor) (CD221 antigen) | | 著者 | Sack, J.S, Jacobson, B.L. | | 登録日 | 2007-01-12 | | 公開日 | 2007-05-01 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery and initial SAR of 3-(1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-ones as inhibitors of insulin-like growth factor 1-receptor (IGF-1R).
Bioorg.Med.Chem.Lett., 17, 2007
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6UL5
 | | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (24b), a non-nucleoside RT inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, MAGNESIUM ION, ... | | 著者 | Ruiz, F.X, Pilch, A, Arnold, E. | | 登録日 | 2019-10-06 | | 公開日 | 2020-02-05 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel.
J.Med.Chem., 63, 2020
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2RBE
 | | The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors | | 分子名称: | (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zhang, J, Jordan, S.R, Li, V. | | 登録日 | 2007-09-18 | | 公開日 | 2008-01-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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4LWE
 | | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ2 | | 分子名称: | Heat shock protein HSP 90-alpha, N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide | | 著者 | Li, J, Shi, F, Xiong, B, He, J. | | 登録日 | 2013-07-27 | | 公開日 | 2014-07-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
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8CUH
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8CMY
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5E06
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5E05
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5E04
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8ESH
 | | Structure of chimeric HLA-A*02:01 bound to CMV peptide | | 分子名称: | Beta-2-microglobulin, CMV peptide, HLA-A*02:01 | | 著者 | Florio, T.J, Ani, O, Young, M.C, Mallik, L, Sgourakis, N.G. | | 登録日 | 2022-10-14 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | Decoupling peptide binding from T cell receptor recognition with engineered chimeric MHC-I molecules.
Front Immunol, 14, 2023
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8ERX
 | | Structure of chimeric HLA-A*11:01-A*02:01 bound to HIV-1 RT peptide | | 分子名称: | Beta-2-microglobulin, HIV-1 RT, HLA-A*02:01 | | 著者 | Florio, T.J, Ani, O, Young, M.C, Mallik, L, Sgourakis, N.G. | | 登録日 | 2022-10-13 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Decoupling peptide binding from T cell receptor recognition with engineered chimeric MHC-I molecules.
Front Immunol, 14, 2023
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3WLW
 | | Molecular Architecture of the ErbB2 Extracellular Domain Homodimer | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody H Chain, ... | | 著者 | Hu, S, Lou, Z.Y, Guo, Y.J. | | 登録日 | 2013-11-15 | | 公開日 | 2015-05-27 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.088 Å) | | 主引用文献 | Molecular architecture of the ErbB2 extracellular domain homodimer.
Oncotarget, 6, 2015
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5C90
 | | Staphylococcus aureus ClpP mutant - Y63A | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit | | 著者 | Ye, F, Liu, H, Zhang, J, Gan, J, Yang, C.-G. | | 登録日 | 2015-06-26 | | 公開日 | 2016-05-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Characterization of Gain-of-Function Mutant Provides New Insights into ClpP Structure
Acs Chem.Biol., 11, 2016
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6VUM
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6XBW
 | | Cryo-EM structure of V-ATPase from bovine brain, state 1 | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Wang, R, Li, X. | | 登録日 | 2020-06-07 | | 公開日 | 2020-08-19 | | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | | 主引用文献 | Cryo-EM structures of intact V-ATPase from bovine brain.
Nat Commun, 11, 2020
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6XBY
 | | Cryo-EM structure of V-ATPase from bovine brain, state 2 | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Wang, R, Li, X. | | 登録日 | 2020-06-07 | | 公開日 | 2020-08-19 | | 実験手法 | ELECTRON MICROSCOPY (3.79 Å) | | 主引用文献 | Cryo-EM structures of intact V-ATPase from bovine brain.
Nat Commun, 11, 2020
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6XOQ
 | | DCN1 covalently bound to inhibitor 4 | | 分子名称: | (2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide, Lysozyme, DCN1-like protein 1 chimera | | 著者 | Stuckey, J.A. | | 登録日 | 2020-07-07 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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6XOM
 | | DCN1 bound to 8 | | 分子名称: | (2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide, 1,2-ETHANEDIOL, Lysozyme, ... | | 著者 | Stuckey, J.A. | | 登録日 | 2020-07-07 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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6XOL
 | | DCN1 bound to DI-1548 | | 分子名称: | Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | | 著者 | Stuckey, J.A. | | 登録日 | 2020-07-07 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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6XOP
 | | DCN1 bound to inhibitor 10 | | 分子名称: | Lysozyme, DCN1-like protein 1 chimera, N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | | 著者 | Stuckey, J.A. | | 登録日 | 2020-07-07 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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6XON
 | | DCN1 bound to inhibitor 9 | | 分子名称: | (2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide, Lysozyme DCN1-like protein 1 chimera | | 著者 | Stuckey, J.A. | | 登録日 | 2020-07-07 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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6XOO
 | | DCN1 bound to DI-1859 | | 分子名称: | Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | | 著者 | Stuckey, J.A. | | 登録日 | 2020-07-07 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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4LWI
 | | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6 | | 分子名称: | Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide | | 著者 | Li, J, Shi, F, Xiong, B, He, J. | | 登録日 | 2013-07-27 | | 公開日 | 2014-07-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
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4LWF
 | | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3 | | 分子名称: | 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | | 著者 | Li, J, Shi, F, Xiong, B, He, J. | | 登録日 | 2013-07-27 | | 公開日 | 2014-07-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
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