PDB: 46188 件ウェブページステータス検索Chemie searchBIRD

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6NAD	Identification and biological evaluation of tertiary ALCOHOL-based inverse agonists of RORgt 分子名称: (S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol, Nuclear receptor ROR-gamma 著者 Spurlino, J, Milligan, C. 登録日 2018-12-05 公開日 2019-05-08 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.90197086 Å) 主引用文献 3-Substituted Quinolines as ROR gamma t Inverse Agonists. Bioorg.Med.Chem.Lett., 29, 2019
4Z1U	MIF in complex with 1-(4-methylphenyl)-3-phenylprop-2-yn-1-one 分子名称: GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION 著者 Cho, T.Y. 登録日 2015-03-27 公開日 2016-09-28 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structural basis for decreased induction of class IB PI3-kinases expression by MIF inhibitors. J. Cell. Mol. Med., 21, 2017
7YCS	Heterotetramer of Antitoxin PrpA together with Toxin PrpT from Pseudoalteromonas rubra 分子名称: Antitoxin ParD, Toxin 著者 Wang, C.C, Niu, L.W. 登録日 2022-07-01 公開日 2022-09-21 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Structural insights into the PrpTA toxin-antitoxin system in Pseudoalteromonas rubra. Front Microbiol, 13, 2022
7YCU	Heterotetramer of Antitoxin PrpA together with Toxin PrpT from Pseudoalteromonas rubra 分子名称: Antitoxin ParD, Toxin 著者 Wang, C.C, Niu, C.Y, Niu, L.W. 登録日 2022-07-01 公開日 2022-09-21 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Structural insights into the PrpTA toxin-antitoxin system in Pseudoalteromonas rubra. Front Microbiol, 13, 2022
3NF6	Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design 分子名称: 1,2-ETHANEDIOL, 5-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... 著者 Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. 登録日 2010-06-09 公開日 2011-04-27 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
6CBF	Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (6a) 分子名称: 2-phenoxy-5-(1H-pyrazol-4-yl)benzoic acid, Macrophage migration inhibitory factor, SULFATE ION 著者 Robertson, M.J, Krimmer, S.G, Jorgensen, W.L. 登録日 2018-02-02 公開日 2018-04-04 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor. ChemMedChem, 13, 2018
7B92	Structure of a minimal SF3B core in complex with sudemycin D6 (form II) 分子名称: PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3, ... 著者 Cretu, C, Pena, V. 登録日 2020-12-14 公開日 2021-08-04 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors. Nat Commun, 12, 2021
6DGL	Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Darglitazone 分子名称: (5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2018-05-17 公開日 2019-05-22 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Quantitative structural assessment of graded receptor agonism. Proc.Natl.Acad.Sci.USA, 116, 2019
7PO2	Initiation complex of human mitochondrial ribosome small subunit with IF2, fMet-tRNAMet and mRNA 分子名称: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ... 著者 Itoh, Y, Khawaja, A, Rorbach, J, Amunts, A. 登録日 2021-09-08 公開日 2022-06-15 最終更新日 2024-04-24 実験手法 ELECTRON MICROSCOPY (3.09 Å) 主引用文献 Mechanism of mitoribosomal small subunit biogenesis and preinitiation. Nature, 606, 2022
6DGP	Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with TRAP220 Coactivator Peptide 分子名称: Peroxisome proliferator-activated receptor gamma, TRAP220 Coactivator Peptide (Mediator of RNA polymerase II transcription subunit 1) 著者 Shang, J, Kojetin, D.J. 登録日 2018-05-17 公開日 2019-05-22 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with TRAP220 Coactivator Peptide To Be Published
7R4F	Bovine complex I in the presence of IM1761092, slack class i (Composite map) 分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... 著者 Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. 登録日 2022-02-08 公開日 2023-02-08 実験手法 ELECTRON MICROSCOPY (2.4 Å) 主引用文献 Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
7CXE	The ligand-free structure of human PPARgamma LBD R280C mutant 分子名称: Peroxisome proliferator-activated receptor gamma 著者 Jang, D.M, Han, B.W. 登録日 2020-09-01 公開日 2021-09-01 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 The ligand-free structure of human PPARgamma LBD To Be Published
6PEG	MIF with a allosteric inhibitor 分子名称: 4-amino-5-hydroxy-6-[(E)-(3-{[3-(2-methylpropanoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl}phenyl)diazenyl]naphthalene-1,3-disulfonic acid, ACETATE ION, GLYCEROL, ... 著者 Asojo, O.A. 登録日 2019-06-20 公開日 2019-11-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Inhibition of Macrophage Migration Inhibitory Factor by a Chimera of Two Allosteric Binders. Acs Med.Chem.Lett., 11, 2020
5UMK	Crystal structure of H62Y mutant of human macrophage migration inhibitory factor 分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... 著者 Pantouris, G, Lolis, E. 登録日 2017-01-27 公開日 2018-02-07 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel. Cell Chem Biol, 27, 2020
7YFK	The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin 分子名称: Nomilin, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 著者 Xia, Y, Yao, D, Huang, C, Cao, Y. 登録日 2022-07-08 公開日 2023-06-14 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Pregnane X receptor agonist nomilin extends lifespan and healthspan in preclinical models through detoxification functions. Nat Commun, 14, 2023
7YEH	Cryo-EM structure of human OGT-OGA complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein O-GlcNAcase, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ... 著者 Lu, P, Liu, Y, Yu, H, Gao, H. 登録日 2022-07-05 公開日 2023-07-12 最終更新日 2024-01-24 実験手法 ELECTRON MICROSCOPY (3.92 Å) 主引用文献 Cryo-EM structure of human O-GlcNAcylation enzyme pair OGT-OGA complex. Nat Commun, 14, 2023
6FO7	Vitamin D nuclear receptor complex 3 分子名称: (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A 著者 Rochel, N. 登録日 2018-02-06 公開日 2018-05-16 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists. J. Med. Chem., 61, 2018
6FOB	Vitamin D receptor complex 5 分子名称: (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A 著者 Rochel, N. 登録日 2018-02-06 公開日 2018-05-16 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists. J. Med. Chem., 61, 2018
7YEA	Human O-GlcNAc transferase Dimer 分子名称: UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit 著者 Gao, H, Lu, P, Liu, Y. 登録日 2022-07-05 公開日 2023-07-12 最終更新日 2024-01-24 実験手法 ELECTRON MICROSCOPY (3.82 Å) 主引用文献 Cryo-EM structure of human O-GlcNAcylation enzyme pair OGT-OGA complex. Nat Commun, 14, 2023
7EFQ	Crystal structure of hPPARgamma ligand binding domain complexed with rosiglitazone-based fluorescence probe 分子名称: (5S)-5-[[4-[2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma 著者 Yoshikawa, C, Ishida, H, Ohashi, N, Itoh, T. 登録日 2021-03-23 公開日 2021-05-12 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Synthesis of a Coumarin-Based PPAR gamma Fluorescence Probe for Competitive Binding Assay. Int J Mol Sci, 22, 2021
8S9I	Crystal structure of the gp32 C-terminal peptide/Dda/dT8 分子名称: Dda helicase, dT8, gp32 C-terminal peptide 著者 He, X, Yun, M.K, White, S.W. 登録日 2023-03-28 公開日 2023-06-28 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (3.53 Å) 主引用文献 Crystal structure of the gp32 C-terminal peptide/Dda/dT8 To Be Published
6LQG	Human gamma-secretase in complex with small molecule Avagacestat 分子名称: (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y. 登録日 2020-01-13 公開日 2021-01-27 最終更新日 2024-10-09 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 Structural basis of gamma-secretase inhibition and modulation by small molecule drugs. Cell, 184, 2021
6SI7	Structure of the curli secretion-assembly complex CsgG:CsgF 分子名称: Curli production assembly/transport component CsgF, Curli production assembly/transport component CsgG 著者 Van der Verren, S.E, Remaut, H. 登録日 2019-08-08 公開日 2020-06-24 最終更新日 2024-05-22 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 A dual-constriction biological nanopore resolves homonucleotide sequences with high fidelity. Nat.Biotechnol., 38, 2020
6G05	RORGT (264-518;C455S) IN COMPLEX WITH INVERSE AGONIST "CPD-2" AND RIP140 PEPTIDE AT 1.90A 分子名称: 2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1 著者 Kallen, J. 登録日 2018-03-16 公開日 2018-07-18 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Optimizing a Weakly Binding Fragment into a Potent ROR gamma t Inverse Agonist with Efficacy in an in Vivo Inflammation Model. J. Med. Chem., 61, 2018
7W3Q	Crystal structure of RORgamma in complex with natural inverse agonist 分子名称: (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol, Nuclear receptor ROR-gamma, Peptide from Nuclear receptor coactivator 2 著者 Tian, S.Y, Li, Y. 登録日 2021-11-25 公開日 2022-12-07 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of RORgamma in complex with natural inverse agonist To Be Published

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