PDB: 46006 件ウェブページステータス検索Chemie searchBIRD

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6IZN	Crystal structure of the PPARgamma-LBD complexed with compound 3g 分子名称: 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma 著者 Matsui, Y, Hanzawa, H. 登録日 2018-12-20 公開日 2019-03-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930. Acs Med.Chem.Lett., 10, 2019
1RTI	HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES 分子名称: 1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE, HIV-1 REVERSE TRANSCRIPTASE 著者 Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D. 登録日 1995-05-03 公開日 1996-04-03 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 High resolution structures of HIV-1 RT from four RT-inhibitor complexes. Nat.Struct.Biol., 2, 1995
1RT2	CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH TNK-651 分子名称: 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 REVERSE TRANSCRIPTASE 著者 Ren, J, Esnouf, R, Hopkins, A, Willcox, B, Jones, Y, Ross, C, Stammers, D, Stuart, D. 登録日 1996-03-16 公開日 1997-04-21 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors. J.Med.Chem., 39, 1996
6J3N	RORgammat LBD complexed with Ursonic Acid and SRC2.2 分子名称: (5beta)-3-oxours-12-en-28-oic acid, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Nuclear receptor ROR-gamma 著者 Liu, Z.H, Huang, J, Tang, Y. 登録日 2019-01-05 公開日 2020-01-15 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Structure of human RORgammat LBD with SCR2.2 at 1.99 Angstroms resolution To Be Published
3QM4	Human Cytochrome P450 (CYP) 2D6 - Prinomastat Complex 分子名称: Cytochrome P450 2D6, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Wang, A, Stout, C.D, Johnson, E.F. 登録日 2011-02-03 公開日 2012-02-15 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Crystal Structure of Human Cytochrome P450 2D6 with Prinomastat Bound. J.Biol.Chem., 287, 2012
6JEY	Covalent bond formation between ynone moiety of synthetic fatty acid and hPPARg-LBD 分子名称: (9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid, Peroxisome proliferator-activated receptor gamma 著者 Kojima, H, Yamamoto, K, Itoh, T. 登録日 2019-02-07 公開日 2020-02-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins. Cell Chem Biol, 27, 2020
6RX9	Crystal structure of TetR from Acinetobacter baumannii AYE 分子名称: SULFATE ION, Tetracycline repressor protein class G 著者 Tam, H.K, Sumyk, M, Pos, K.M. 登録日 2019-06-07 公開日 2020-07-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Binding of Tetracyclines to Acinetobacter baumannii TetR Involves Two Arginines as Specificity Determinants Front Microbiol, 2021
6J0J	Crystal structure of Proliferating Cell Nuclear Antigen from Leishmania donovani with an unexplained density near residues Pro229,Pr0267 and Ala285 分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Proliferating cell nuclear antigen 著者 Iqbal, N, Sharma, S, Singh, T.P. 登録日 2018-12-24 公開日 2019-01-23 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Crystal structure of Proliferating Cell Nuclear Antigen from Leishmania donovani with an unexplained density near residues Pro229,Pr0267 and Ala285 To Be Published
6N88	Cryo-EM structure of the Importin7:Importin beta:Histone H1.0 complex 分子名称: Histone H1.0, Importin subunit beta-1, MGC52556 protein 著者 Bilokapic, S, Ivic, N, Halic, M. 登録日 2018-11-28 公開日 2019-02-27 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (6.2 Å) 主引用文献 Fuzzy Interactions Form and Shape the Histone Transport Complex. Mol. Cell, 73, 2019
7ZFX	VDR complex with Aromatic-D-Ring Analog 分子名称: (1R,3S,5Z)-5-[(E)-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... 著者 Rochel, N. 登録日 2022-04-01 公開日 2022-11-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3. J.Med.Chem., 65, 2022
3RAR	X-ray structure of a bound phosphonate transition state analog and enantioselectivity of Candida rugosa lipase toward chiral carboxylic acids 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, CALCIUM ION, ... 著者 Grochulski, P, Kazlauskas, R. 登録日 2011-03-28 公開日 2011-04-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Insights into the molecular basis of chiral acid recognition by Candida rugosa lipase from an X-ray crystal structure of a bound phosphonate transition state analog Adv.Synth.Catal., 353, 2011
7ZFG	VDR complex with aromatic D-ring analog 分子名称: (1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... 著者 Rochel, N. 登録日 2022-04-01 公開日 2022-11-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3. J.Med.Chem., 65, 2022
3Q9C	Crystal Structure of H159A APAH complexed with N8-acetylspermidine 分子名称: Acetylpolyamine amidohydrolase, N-{4-[(3-aminopropyl)amino]butyl}acetamide, POTASSIUM ION, ... 著者 Lombardi, P.M, Christianson, D.W. 登録日 2011-01-07 公開日 2011-03-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure of prokaryotic polyamine deacetylase reveals evolutionary functional relationships with eukaryotic histone deacetylases . Biochemistry, 50, 2011
6IYC	Recognition of the Amyloid Precursor Protein by Human gamma-secretase 分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Zhou, R, Yang, G, Guo, X, Zhou, Q, Lei, J, Shi, Y. 登録日 2018-12-14 公開日 2019-01-23 最終更新日 2020-07-29 実験手法 ELECTRON MICROSCOPY (2.6 Å) 主引用文献 Recognition of the amyloid precursor protein by human gamma-secretase. Science, 363, 2019
3R4N	Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide 分子名称: 4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha 著者 Gajiwala, K.S. 登録日 2011-03-17 公開日 2011-04-27 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide. J.Med.Chem., 54, 2011
3R4O	Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide 分子名称: 2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, Heat shock protein HSP 90-alpha 著者 Gajiwala, K.S. 登録日 2011-03-17 公開日 2011-04-27 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide. J.Med.Chem., 54, 2011
8WR5	The Crystal Structure of Mms2 from Biortus 分子名称: 1,2-ETHANEDIOL, SULFATE ION, Ubiquitin-conjugating enzyme E2 variant 2 著者 Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S. 登録日 2023-10-13 公開日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The Crystal Structure of Mms2 from Biortus. To Be Published
6J0A	Crystal structure of E. coli methionine aminopeptidase enzyme and chaperone trigger factor fitted into the cryo-EM density map of the complex 分子名称: Methionine aminopeptidase, Trigger factor 著者 Sengupta, J, Bhakta, S, Akbar, S. 登録日 2018-12-22 公開日 2019-04-17 最終更新日 2024-03-27 実験手法 ELECTRON MICROSCOPY (14.2 Å) 主引用文献 Cryo-EM Structures Reveal Relocalization of MetAP in the Presence of Other Protein Biogenesis Factors at the Ribosomal Tunnel Exit. J. Mol. Biol., 431, 2019
3RHY	Crystal structure of the dimethylarginine dimethylaminohydrolase adduct with 4-chloro-2-hydroxymethylpyridine 分子名称: (4-chloropyridin-2-yl)methanol, N(G),N(G)-dimethylarginine dimethylaminohydrolase 著者 Monzingo, A.F, Johnson, C.M, Ke, Z, Yoon, D.-W, Linsky, T.W, Guo, H, Fast, W, Robertus, J.D. 登録日 2011-04-12 公開日 2011-06-15 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 On the mechanism of dimethylarginine dimethylaminohydrolase inactivation by 4-halopyridines. J.Am.Chem.Soc., 133, 2011
1RT7	HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC84 分子名称: 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION 著者 Ren, J, Stammers, D.K, Stuart, D.I. 登録日 1998-07-29 公開日 1999-07-29 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
1RT5	HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC10 分子名称: HIV-1 REVERSE TRANSCRIPTASE, N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE, PHOSPHATE ION 著者 Ren, J, Stammers, D.K, Stuart, D.I. 登録日 1998-07-29 公開日 1999-07-29 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
1RT6	HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC38 分子名称: 1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION 著者 Ren, J, Stammers, D.K, Stuart, D.I. 登録日 1998-07-29 公開日 1999-07-29 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
1RT1	CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH MKC-442 分子名称: 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 REVERSE TRANSCRIPTASE 著者 Ren, J, Esnouf, R, Hopkins, A, Willcox, B, Jones, Y, Ross, C, Stammers, D, Stuart, D. 登録日 1996-03-16 公開日 1997-04-21 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors. J.Med.Chem., 39, 1996
1RT4	HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC781 分子名称: 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION 著者 Ren, J, Stammers, D.K, Stuart, D.I. 登録日 1998-07-29 公開日 1999-07-29 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
6SQ4	Crystal structure of mouse PRMT6 in complex with inhibitor U2 分子名称: 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine, IODIDE ION, Protein arginine N-methyltransferase 6 著者 Bonnefond, L, Cavarelli, J. 登録日 2019-09-03 公開日 2020-09-30 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structure of mouse PRMT6 in complex with inhibitors To be published

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