1T5Z
| Crystal Structure of the Androgen Receptor Ligand Binding Domain (LBD) with DHT and a peptide derived from its physiological coactivator ARA70 | 分子名称: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 4 | 著者 | Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Webb, P, Fletterick, R.J, Guy, R.K. | 登録日 | 2004-05-05 | 公開日 | 2005-01-25 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor. J.Biol.Chem., 280, 2005
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1T63
| Crystal Structure of the Androgen Receptor Ligand Binding Domain with DHT and a peptide derived from its physiological coactivator GRIP1 NR box3 | 分子名称: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 2 | 著者 | Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Webb, P, Fletterick, R.J, Guy, R.K. | 登録日 | 2004-05-05 | 公開日 | 2005-01-25 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor. J.Biol.Chem., 280, 2005
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1T65
| Crystal structure of the androgen receptor ligand binding domain with DHT and a peptide derived form its physiological coactivator GRIP1 NR box 2 bound in a non-helical conformation | 分子名称: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 2 | 著者 | Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Webb, P, Fletterick, R.J, Guy, R.K. | 登録日 | 2004-05-05 | 公開日 | 2005-01-25 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor. J.Biol.Chem., 280, 2005
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1XJ7
| Complex Androgen Receptor LBD and RAC3 peptide | 分子名称: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, RAC3 derived peptide | 著者 | Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Buehrer, B.M, Webb, P, Fletterick, R.J, Guy, R.K. | 登録日 | 2004-09-22 | 公開日 | 2005-01-25 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor J.Biol.Chem., 280, 2005
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3CML
| Crystal Structure of the DBL3x domain of the Plasmodium falcipurum VAR2CSA protein | 分子名称: | Erythrocyte membrane protein 1 | 著者 | Singh, K, Gittis, A.G, Nguyen, P, Gowda, D.C, Miller, L.H, Garboczi, D.N. | 登録日 | 2008-03-23 | 公開日 | 2008-09-02 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of the DBL3x domain of pregnancy-associated malaria protein VAR2CSA complexed with chondroitin sulfate A. Nat.Struct.Mol.Biol., 15, 2008
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3CPZ
| Crystal structure of VAR2CSA DBL3x domain in the presence of dodecasaccharide of CSA | 分子名称: | Erythrocyte membrane protein 1, SULFATE ION | 著者 | Singh, K, Gittis, A.G, Nguyen, P, Gowda, D.C, Miller, L.H, Garboczi, D.N. | 登録日 | 2008-04-01 | 公開日 | 2008-09-02 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of the DBL3x domain of pregnancy-associated malaria protein VAR2CSA complexed with chondroitin sulfate A. Nat.Struct.Mol.Biol., 15, 2008
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2KUK
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2MIA
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2MI9
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8DI1
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8DI0
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9C1R
| Crystal structure of mutant cMET D1228N kinase domain in complex with inhibitor compound 13 | 分子名称: | GLYCEROL, Hepatocyte growth factor receptor, N-(2,5-difluoro-4-{[(1s,3S)-3-(1-methyl-1H-pyrazol-3-yl)cyclobutyl][(8R)-pyrazolo[1,5-a]pyrazin-4-yl]amino}phenyl)-2-(5-fluoropyridin-2-yl)-3-oxo-2,3-dihydropyridazine-4-carboxamide | 著者 | Simpson, H, Wu, W.-I, Mou, T.-C. | 登録日 | 2024-05-29 | 公開日 | 2024-08-21 | 最終更新日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Discovery of Pyrazolopyrazines as Selective, Potent, and Mutant-Active MET Inhibitors with Intracranial Efficacy. J.Med.Chem., 67, 2024
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4LNW
| Crystal structure of TR-alpha bound to T3 in a second site | 分子名称: | 3,5,3'TRIIODOTHYRONINE, Thyroid hormone receptor alpha | 著者 | Puhl, A.C, Aparicio, R, Polikarpov, I. | 登録日 | 2013-07-12 | 公開日 | 2014-03-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification of a new hormone-binding site on the surface of thyroid hormone receptor. Mol.Endocrinol., 28, 2014
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4LNX
| Crystal structure of TR-alpha bound to T4 in a second site | 分子名称: | 3,5,3',5'-TETRAIODO-L-THYRONINE, 3,5,3'TRIIODOTHYRONINE, Thyroid hormone receptor alpha | 著者 | Puhl, A.C, Aparicio, R, Polikarpov, I. | 登録日 | 2013-07-12 | 公開日 | 2014-03-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Identification of a new hormone-binding site on the surface of thyroid hormone receptor. Mol.Endocrinol., 28, 2014
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3JZC
| Crystal Structure of TR-beta bound to the selective thyromimetic TRIAC | 分子名称: | Thyroid hormone receptor beta, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID | 著者 | Nascimento, A.S, Dias, S.G.M, Nunes, F.M, Aparicio, R. | 登録日 | 2009-09-23 | 公開日 | 2009-12-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Gaining ligand selectivity in thyroid hormone receptors via entropy. Proc.Natl.Acad.Sci.USA, 106, 2009
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7RT5
| Crystal structure of KRAS G12D with compound 36 (4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine) bound | 分子名称: | 4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | 登録日 | 2021-08-12 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
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7RT3
| Crystal Structure of KRAS G12D with compound 24 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound | 分子名称: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | 登録日 | 2021-08-12 | 公開日 | 2021-12-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
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7RT1
| Crystal Structure of KRAS G12D with compound 15 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound | 分子名称: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | 登録日 | 2021-08-12 | 公開日 | 2021-12-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
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7RT2
| Crystal Structure of KRAS G12D with compound 25 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound | 分子名称: | 1,2-ETHANEDIOL, 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GLYCEROL, ... | 著者 | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | 登録日 | 2021-08-12 | 公開日 | 2021-12-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
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7RT4
| KRAS G12D in complex with Compound 5B (7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine) | 分子名称: | 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | 登録日 | 2021-08-12 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
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2QPY
| AR LBD with small molecule | 分子名称: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Coactivator peptide, ... | 著者 | Estebanez-Perpina, E, Fletterick, R. | 登録日 | 2007-07-25 | 公開日 | 2007-09-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A surface on the androgen receptor that allosterically regulates coactivator binding. Proc.Natl.Acad.Sci.Usa, 104, 2007
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7RWI
| Mycobacterium tuberculosis RNA polymerase sigma L holoenzyme open promoter complex containing TNP-2198 | 分子名称: | (3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | 著者 | Molodtsov, V, Ebright, R.H. | 登録日 | 2021-08-19 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Design, Synthesis, and Characterization of TNP-2198, a Dual-Targeted Rifamycin-Nitroimidazole Conjugate with Potent Activity against Microaerophilic and Anaerobic Bacterial Pathogens. J.Med.Chem., 65, 2022
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7RPZ
| KRAS G12D in complex with MRTX-1133 | 分子名称: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | 登録日 | 2021-08-05 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
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2PIO
| Androgen receptor LBD with small molecule | 分子名称: | 2-METHYL-1H-INDOLE, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ... | 著者 | Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R. | 登録日 | 2007-04-13 | 公開日 | 2007-09-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | A surface on the androgen receptor that allosterically regulates coactivator binding. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2PKL
| Androgen receptor LBD with small molecule | 分子名称: | 5-ALPHA-DIHYDROTESTOSTERONE, ARA70 peptide, Androgen receptor, ... | 著者 | Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Guy, K.R, Webb, P, Fletterick, R.J. | 登録日 | 2007-04-17 | 公開日 | 2007-09-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | A surface on the androgen receptor that allosterically regulates coactivator binding. Proc.Natl.Acad.Sci.Usa, 104, 2007
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