6K4G
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6BR2
| Structure of RORgt in complex with a novel isoquinoline inverse agonist. | 分子名称: | (1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma | 著者 | Skene, R.J, Hoffman, I. | 登録日 | 2017-11-29 | 公開日 | 2018-03-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | 主引用文献 | Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist. J. Med. Chem., 61, 2018
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6BR3
| Structure of RORgt in complex with a novel inverse agonist TAK-828. | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma, {cis-3-[(5R)-5-[(7-fluoro-1,1-dimethyl-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carbonyl]cyclobutyl}acetic acid | 著者 | Skene, R.J, Hoffman, I. | 登録日 | 2017-11-29 | 公開日 | 2018-03-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist. J. Med. Chem., 61, 2018
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3WXA
| X-ray crystal structural analysis of the complex between ALG-2 and Sec31A peptide | 分子名称: | Programmed cell death protein 6, Protein transport protein Sec31A, ZINC ION | 著者 | Takahashi, T, Suzuki, H, Kawasaki, M, Shibata, H, Wakatsuki, S, Maki, M. | 登録日 | 2014-07-29 | 公開日 | 2015-03-11 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Structural Analysis of the Complex between Penta-EF-Hand ALG-2 Protein and Sec31A Peptide Reveals a Novel Target Recognition Mechanism of ALG-2 Int J Mol Sci, 16, 2015
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3GOI
| Human glucokinase in complex with a synthetic activator | 分子名称: | 2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide, Glucokinase, alpha-D-glucopyranose | 著者 | Kamata, K, Mitsuya, M. | 登録日 | 2009-03-19 | 公開日 | 2009-04-28 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Discovery of novel 3,6-disubstituted 2-pyridinecarboxamide derivatives as GK activators Bioorg.Med.Chem.Lett., 19, 2009
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2RPA
| The solution structure of N-terminal domain of microtubule severing enzyme | 分子名称: | Katanin p60 ATPase-containing subunit A1 | 著者 | Iwaya, N, Kuwahara, Y, Unzai, S, Nagata, T, Tomii, K, Goda, N, Tochio, H, Shirakawa, M, Hiroaki, H. | 登録日 | 2008-05-13 | 公開日 | 2009-05-26 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | A common substrate recognition mode conserved between katanin P60 and VPS4 governs microtubule severing and membrane skeleton reorganization J.Biol.Chem., 285, 2010
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5DRB
| Crystal structure of WNK1 in complex with WNK463 | 分子名称: | N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide, Serine/threonine-protein kinase WNK1 | 著者 | Kohls, D, Xie, X. | 登録日 | 2015-09-15 | 公開日 | 2016-09-07 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Small-molecule WNK inhibition regulates cardiovascular and renal function. Nat.Chem.Biol., 12, 2016
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1A03
| THE THREE-DIMENSIONAL STRUCTURE OF CA2+-BOUND CALCYCLIN: IMPLICATIONS FOR CA2+-SIGNAL TRANSDUCTION BY S100 PROTEINS, NMR, 20 STRUCTURES | 分子名称: | CALCYCLIN (RABBIT, CA2+) | 著者 | Sastry, M, Ketchem, R.R, Crescenzi, O, Weber, C, Lubienski, M.J, Hidaka, H, Chazin, W.J. | 登録日 | 1997-12-08 | 公開日 | 1999-03-02 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The three-dimensional structure of Ca(2+)-bound calcyclin: implications for Ca(2+)-signal transduction by S100 proteins. Structure, 6, 1998
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5Z5S
| Crystal structure of the PPARgamma-LBD complexed with compound 13ab | 分子名称: | 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | 著者 | Matsui, Y, Hanzawa, H. | 登録日 | 2018-01-19 | 公開日 | 2018-10-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of DS-6930, a potent selective PPAR gamma modulator. Part I: Lead identification. Bioorg. Med. Chem., 26, 2018
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5AWL
| CRYSTAL STRUCTURE OF A MUTANT OF CHIGNOLIN, CLN025 | 分子名称: | A mutant of Chignolin, CLN025 | 著者 | Akiba, T, Ishimura, M, Odahara, T, Harata, K, Honda, S. | 登録日 | 2015-07-05 | 公開日 | 2015-08-12 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Crystal structure of a ten-amino acid protein J.Am.Chem.Soc., 130, 2008
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7BV9
| The NMR structure of the BEN domain from human NAC1 | 分子名称: | Nucleus accumbens-associated protein 1 | 著者 | Nagata, T, Kobayashi, N, Nakayama, N, Obayashi, E, Urano, T. | 登録日 | 2020-04-09 | 公開日 | 2021-02-17 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Nucleus Accumbens-Associated Protein 1 Binds DNA Directly through the BEN Domain in a Sequence-Specific Manner. Biomedicines, 8, 2020
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7W6Z
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7W71
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7W70
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7W6X
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7W6Y
| Crystal structure of Kangiella koreensis RseP orthologue in complex with batimastat in space group P1 | 分子名称: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, Anti sigma-E protein, RseA, ... | 著者 | Imaizumi, Y, Takanuki, K, Nogi, T. | 登録日 | 2021-12-02 | 公開日 | 2022-09-07 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP. Sci Adv, 8, 2022
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8D4Z
| Crystal structure of USP7 in complex with allosteric inhibitor FX1-3763 | 分子名称: | 1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7 | 著者 | Bell, J.A. | 登録日 | 2022-06-03 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Novel USP7 inhibitors demonstrate potent anti-cancer activity in models of AML, synergy with BCL2 inhibition, and a differentiated mechanism of action To Be Published
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6IOL
| Cryo-EM structure of multidrug efflux pump MexAB-OprM (60 degree state) | 分子名称: | Multidrug resistance protein MexA, Multidrug resistance protein MexB, Outer membrane protein OprM | 著者 | Tsutsumi, K, Yonehara, R, Nakagawa, A, Yamashita, E. | 登録日 | 2018-10-30 | 公開日 | 2019-04-03 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.76 Å) | 主引用文献 | Structures of the wild-type MexAB-OprM tripartite pump reveal its complex formation and drug efflux mechanism. Nat Commun, 10, 2019
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1ODJ
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6IOK
| Cryo-EM structure of multidrug efflux pump MexAB-OprM (0 degree state) | 分子名称: | Multidrug resistance protein MexA, Multidrug resistance protein MexB, Outer membrane protein OprM | 著者 | Tsutsumi, K, Yonehara, R, Nakagawa, A, Yamashita, E. | 登録日 | 2018-10-30 | 公開日 | 2019-04-03 | 最終更新日 | 2019-04-17 | 実験手法 | ELECTRON MICROSCOPY (3.64 Å) | 主引用文献 | Structures of the wild-type MexAB-OprM tripartite pump reveal its complex formation and drug efflux mechanism. Nat Commun, 10, 2019
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5AYI
| Crystal structure of GH1 Beta-glucosidase TD2F2 N223Q mutant | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, BETA-GLUCOSIDASE, GLYCEROL, ... | 著者 | Jo, T, Manninen, J.A, Matsuzawa, T, Uchiyama, T, Yaoi, K, Arakawa, T, Fushinobu, S. | 登録日 | 2015-08-21 | 公開日 | 2016-04-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2 Febs J., 283, 2016
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5AYB
| Crystal structure of GH1 Beta-Glucosidase TD2F2 N223G mutant | 分子名称: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, BETA-GLUCOSIDASE, ... | 著者 | Jo, T, Manninen, J.A, Matsuzawa, T, Uchiyama, T, Yaoi, K, Arakawa, T, Fushinobu, S. | 登録日 | 2015-08-12 | 公開日 | 2016-04-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2 Febs J., 283, 2016
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1ODL
| PURINE NUCLEOSIDE PHOSPHORYLASE FROM THERMUS THERMOPHILUS | 分子名称: | CHLORIDE ION, GLYCEROL, PURINE NUCLEOSIDE PHOSPHORYLASE, ... | 著者 | Tahirov, T.H, Inagaki, E, Miyano, M. | 登録日 | 2003-02-19 | 公開日 | 2003-02-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal Structure of Purine Nucleoside Phosphorylase from Thermus Thermophilus J.Mol.Biol., 337, 2004
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1ODK
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1ODI
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