PDB: 1828 件ウェブページステータス検索Chemie searchBIRD

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8HD3	Farnesoid X Receptor Agonists_FXR fused with a HD3 peptide 分子名称: Farnesoid X Receptor, [(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone 著者 Lu, X, Zhang, H. 登録日 2022-11-03 公開日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Crystal structure of FXR fused with a HD3 peptide in complex with agonist QT0127 To Be Published
8GXP	Complex structure of RORgama with betulinic acid 分子名称: Betulinic acid, Nuclear receptor ROR-gamma 著者 Zhang, X.L, Xu, C, Bai, F. 登録日 2022-09-20 公開日 2023-06-07 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists. Eur.J.Med.Chem., 257, 2023
8FPE	Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-BP 分子名称: N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 著者 Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T. 登録日 2023-01-04 公開日 2023-03-15 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc.Natl.Acad.Sci.USA, 120, 2023
8FKG	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33486 分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide, GLYCEROL, ... 著者 MacTavish, B.S, Kojetin, D.J. 登録日 2022-12-21 公開日 2024-04-17 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33486 To Be Published
8FKF	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR36706 分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide, GLYCEROL, ... 著者 MacTavish, B.S, Kojetin, D.J. 登録日 2022-12-21 公開日 2024-04-17 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR36706 To Be Published
8FKE	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR32904 分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ... 著者 MacTavish, B.S, Kojetin, D.J. 登録日 2022-12-21 公開日 2024-04-17 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR32904 To Be Published
8FKD	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33068 分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ... 著者 MacTavish, B.S, Kojetin, D.J. 登録日 2022-12-21 公開日 2024-04-17 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33068 To Be Published
8FKC	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33544 分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ... 著者 MacTavish, B.S, Kojetin, D.J. 登録日 2022-12-21 公開日 2024-04-17 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33544 To Be Published
8FHG	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and ZINC5672437 分子名称: N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide, Nuclear receptor corepressor 1, Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2022-12-14 公開日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and ZINC5672437 To Be Published
8FHF	Crystal structure of PPARgamma ligand-binding domain in complex with ZINC5672437 分子名称: N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid 著者 Shang, J, Kojetin, D.J. 登録日 2022-12-14 公開日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of PPARgamma ligand-binding domain in complex with ZINC5672437 To Be Published
8FHE	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and GW9662 分子名称: 2-chloro-5-nitro-N-phenylbenzamide, Nuclear receptor corepressor 1, Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2022-12-14 公開日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and GW9662 To Be Published
8FH2	Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y with DHT 分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION 著者 Doamekpor, S.K, Tong, L. 登録日 2022-12-13 公開日 2023-04-12 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations. Acta Crystallogr.,Sect.F, 79, 2023
8FH1	Crystal structure of mutant Androgen Receptor ligand binding domain F877L/T878A with DHT 分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION 著者 Doamekpor, S.K, Tong, L. 登録日 2022-12-13 公開日 2023-04-12 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations. Acta Crystallogr.,Sect.F, 79, 2023
8FH0	Crystal structure of mutant Androgen Receptor ligand binding domain H875Y/F877L/T878A with DHT 分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION 著者 Doamekpor, S.K, Tong, L. 登録日 2022-12-13 公開日 2023-04-12 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations. Acta Crystallogr.,Sect.F, 79, 2023
8FGZ	Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/F877L with DHT 分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION 著者 Doamekpor, S.K, Tong, L. 登録日 2022-12-13 公開日 2023-04-12 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations. Acta Crystallogr.,Sect.F, 79, 2023
8FGY	Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/F877L/T878A with DHT 分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor 著者 Doamekpor, S.K, Tong, L. 登録日 2022-12-13 公開日 2023-04-12 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations. Acta Crystallogr.,Sect.F, 79, 2023
8FFW	Cryo-EM structure of the GR-Hsp90-FKBP51 complex 分子名称: ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ... 著者 Noddings, C.M, Agard, D.A. 登録日 2022-12-10 公開日 2023-11-01 最終更新日 2023-12-20 実験手法 ELECTRON MICROSCOPY (3.23 Å) 主引用文献 Cryo-EM reveals how Hsp90 and FKBP immunophilins co-regulate the glucocorticoid receptor. Nat.Struct.Mol.Biol., 30, 2023
8FFV	Cryo-EM structure of the GR-Hsp90-FKBP52 complex 分子名称: ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ... 著者 Noddings, C.M, Agard, D.A. 登録日 2022-12-10 公開日 2023-11-01 最終更新日 2023-12-20 実験手法 ELECTRON MICROSCOPY (3.01 Å) 主引用文献 Cryo-EM reveals how Hsp90 and FKBP immunophilins co-regulate the glucocorticoid receptor. Nat.Struct.Mol.Biol., 30, 2023
8FB2	HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 8 ANDINDAZOLE ACID BOUND IN H12-POCKET 分子名称: (1R,15S)-16-(cyclopropylacetyl)-5-fluoro-20-methyl-9lambda~6~-thia-1,8,16-triazatricyclo[13.3.1.1~3,7~]icosa-3(20),4,6-triene-9,9-dione, 4-[1-(2,6-dichlorobenzoyl)-4-fluoro-1H-indazol-3-yl]benzoic acid, Nuclear receptor ROR-gamma 著者 Vajdos, F.F. 登録日 2022-11-29 公開日 2023-03-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists. Acs Med.Chem.Lett., 14, 2023
8FB1	HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 6a ANDINDAZOLE ACID BOUND IN H12-POCKET 分子名称: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)-4-fluorobenzene-1-sulfonamide, Nuclear receptor ROR-gamma 著者 Vajdos, F.F. 登録日 2022-11-29 公開日 2023-03-01 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists. Acs Med.Chem.Lett., 14, 2023
8FAV	HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 5 ANDINDAZOLE ACID BOUND IN H12-POCKET 分子名称: 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, Nuclear receptor ROR-gamma, ... 著者 Vajdos, F.F. 登録日 2022-11-28 公開日 2023-03-01 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists. Acs Med.Chem.Lett., 14, 2023
8F8M	LRH-1 bound to small molecule Tet and fragment of coactivator Tif2 分子名称: (1~{R},3~{a}~{R},6~{a}~{R})-4-phenyl-3~{a}-(1-phenylethenyl)-5-[9-(1~{H}-1,2,3,4-tetrazol-5-yl)nonyl]-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 著者 Cato, M.L, Ortlund, E.A. 登録日 2022-11-22 公開日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Isosteric improvements to liver receptor homolog-1 small molecule modulators To Be Published
8F5Y	Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1 分子名称: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2 著者 Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Chen, T. 登録日 2022-11-15 公開日 2024-02-21 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 A bromodomain-independent mechanism of gene regulation by the BET inhibitor JQ1: direct activation of nuclear receptor PXR. Nucleic Acids Res., 52, 2024
8EV2	Dual Modulators 分子名称: (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Estrogen receptor, ... 著者 Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G. 登録日 2022-10-19 公開日 2022-12-28 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors. Eur.J.Med.Chem., 246, 2022
8EV1	Dual Modulators 分子名称: (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, Estrogen Receptor, ... 著者 Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G. 登録日 2022-10-19 公開日 2022-12-28 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors. Eur.J.Med.Chem., 246, 2022

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