PDB: 1845 件ウェブページステータス検索Chemie searchBIRD

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5NIB	Ligand complex of RORg LBD 分子名称: DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, SODIUM ION, ... 著者 Xue, Y, Aagaard, A, Narjes, F. 登録日 2017-03-23 公開日 2018-08-22 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design. J. Med. Chem., 61, 2018
5NI5	Ligand complex of RORg LBD 分子名称: Nuclear receptor ROR-gamma, SODIUM ION, tethered SRC2-2 peptide, ... 著者 Xue, Y, Aagaard, A, Narjes, F. 登録日 2017-03-23 公開日 2018-08-22 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design. J. Med. Chem., 61, 2018
5NI8	Ligand complex of RORg LBD 分子名称: 2-(4-ethylsulfonylphenyl)-~{N}-[4-(2-phenylmethoxypyridin-3-yl)thiophen-2-yl]ethanamide, Nuclear receptor ROR-gamma, SODIUM ION, ... 著者 Xue, Y, Aagaard, A, Narjes, F. 登録日 2017-03-23 公開日 2018-08-22 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design. J. Med. Chem., 61, 2018
5VB3	X-ray structure of nuclear receptor ROR-gammat Ligand Binding Domain + SRC2 peptide 分子名称: Nuclear receptor ROR-gamma, SRC2 chimera, SODIUM ION 著者 Li, X. 登録日 2017-03-28 公開日 2017-06-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors. J. Biol. Chem., 292, 2017
5VB6	X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide 分子名称: N-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide, Nuclear receptor ROR-gamma, SRC2 chimera, ... 著者 Li, X. 登録日 2017-03-28 公開日 2017-06-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.041 Å) 主引用文献 Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors. J. Biol. Chem., 292, 2017
5VB5	X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide 分子名称: N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide, Nuclear receptor ROR-gamma, SRC2 chimera, ... 著者 Li, X. 登録日 2017-03-28 公開日 2017-06-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.226 Å) 主引用文献 Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors. J. Biol. Chem., 292, 2017
5VB7	X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an agonist and SRC2 peptide 分子名称: N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea, Nuclear receptor ROR-gamma, SRC2 chimera, ... 著者 Li, X. 登録日 2017-03-28 公開日 2017-06-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.335 Å) 主引用文献 Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors. J. Biol. Chem., 292, 2017
5NKY	Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain 分子名称: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{R},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, SRC1, Vitamin D3 receptor A 著者 Rochel, N, Belorusova, A.Y. 登録日 2017-04-03 公開日 2017-05-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.096 Å) 主引用文献 Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain. Eur J Med Chem, 134, 2017
5NMA	Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain 分子名称: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A 著者 Rochel, N, Belorusova, A.Y. 登録日 2017-04-05 公開日 2017-05-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain. Eur J Med Chem, 134, 2017
5NMB	Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain 分子名称: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{R})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A 著者 Rochel, N, Belorusova, A.Y. 登録日 2017-04-05 公開日 2017-05-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain. Eur J Med Chem, 134, 2017
5NTW	Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds 分子名称: (S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-(((1r,4S)-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1 著者 Kallen, J. 登録日 2017-04-28 公開日 2017-06-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds. ChemMedChem, 12, 2017
5NTP	Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds 分子名称: (S)-N-(5-chloro-3-((4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl)methyl)-2-methylphenyl)-2-methylpyrimidine-5-carboxamide, Nuclear receptor ROR-gamma 著者 Kallen, J. 登録日 2017-04-28 公開日 2017-06-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds. ChemMedChem, 12, 2017
5NTQ	Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds 分子名称: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear receptor ROR-gamma 著者 Kallen, J. 登録日 2017-04-28 公開日 2017-06-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds. ChemMedChem, 12, 2017
5NU1	Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds 分子名称: Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1, ~{N}-[4-(3-chlorophenyl)-5-(2-chlorophenyl)carbonyl-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide 著者 Kallen, J. 登録日 2017-04-28 公開日 2017-06-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds. ChemMedChem, 12, 2017
5NTK	Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds 分子名称: Nuclear receptor ROR-gamma, [(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-17-[(2~{R})-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-5-oxidanylidene-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate 著者 Kallen, J. 登録日 2017-04-28 公開日 2017-06-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds. ChemMedChem, 12, 2017
5NTI	Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds 分子名称: ASN-SER-HIS-GLN-LYS-VAL-THR-LEU-LEU-GLN-LEU-LEU-LEU-GLY-HIS-LYS-ASN-GLU-GLU-ASN, CHOLEST-5-EN-3-YL HYDROGEN SULFATE, Nuclear receptor ROR-gamma 著者 Kallen, J. 登録日 2017-04-28 公開日 2017-06-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds. ChemMedChem, 12, 2017
5NTN	Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds 分子名称: (5R,10S,13R,14R,17R)-17-((R,E)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,7(4H)-dione, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1 著者 Kallen, J. 登録日 2017-04-28 公開日 2017-06-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds. ChemMedChem, 12, 2017
5VO4	Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile 分子名称: 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile, Androgen receptor 著者 Parris, K, Unwalla, R. 登録日 2017-05-02 公開日 2018-03-14 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structure-Based Approach To Identify 5-[4-Hydroxyphenyl]pyrrole-2-carbonitrile Derivatives as Potent and Tissue Selective Androgen Receptor Modulators. J. Med. Chem., 60, 2017
5VQL	X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with a inverse agonist and SRC2 peptide 分子名称: 5'-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-{[4-(ethylsulfonyl)phenyl]methyl}spiro[cyclopentane-1,3'-pyrrolo[3,2-b]pyridine]-1'(2'H)-carboxamide, Nuclear receptor ROR-gamma, SRC2 chimera, ... 著者 Li, X. 登録日 2017-05-09 公開日 2018-05-16 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with a inverse agonist and SRC2 peptide To Be Published
5VQK	X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with a inverse agonist and SRC2 peptide 分子名称: 1-(4-fluorophenyl)-7-methoxy-N-{[4-(methylsulfamoyl)phenyl]methyl}-1H-pyrazolo[3,4-c]pyridine-4-carboxamide, Nuclear receptor ROR-gamma, SRC2 chimera 著者 Li, X. 登録日 2017-05-09 公開日 2018-05-16 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with a inverse agonist and SRC2 peptide To Be Published
5XMX	Co-crystal structure of Inhibitor compound in complex with human PPARdelta LBD 分子名称: (E)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid, Peroxisome proliferator-activated receptor delta 著者 Lakshminarasimhan, A, Rani, S.T, Senaiar, R.S, Krishnamurthy, N. 登録日 2017-05-16 公開日 2018-05-23 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Novel highly selective peroxisome proliferator-activated receptor delta (PPAR delta) modulators with pharmacokinetic properties suitable for once-daily oral dosing. Bioorg. Med. Chem. Lett., 27, 2017
5Q0T	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: 2-phenyl-N-(propan-2-yl)-6-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-1-carboxamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
5Q11	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, N,N-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
5Q18	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: (2S)-2-cyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}-N-(trans-4-hydroxycyclohexyl)acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
5Q0K	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018

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