8SOS
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6FIN
| DDR1, 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1H-indazole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, 1.670A, P1211, Rfree=22.8% | 分子名称: | 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{H}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, Epithelial discoidin domain-containing receptor 1, IODIDE ION | 著者 | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | 登録日 | 2018-01-19 | 公開日 | 2018-11-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
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6FIQ
| DDR1, 1-(1H-indazole-5-carbonyl)-5'-methoxy-1'-[2-oxo-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one, 1.790A, P212121, Rfree=23.8% | 分子名称: | 1-(1~{H}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{S})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one, CHLORIDE ION, Epithelial discoidin domain-containing receptor 1 | 著者 | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | 登録日 | 2018-01-19 | 公開日 | 2018-11-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
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6FEX
| DDR1, 2-[4-bromo-2-oxo-1'-(1H-pyrazolo[4,3-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.291A, P212121, Rfree=17.4% | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, CHLORIDE ION, ... | 著者 | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | 登録日 | 2018-01-03 | 公開日 | 2018-11-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.291 Å) | 主引用文献 | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
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4XEB
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4ZJR
| RORgamma in complex with inverse agonist 48 | 分子名称: | 6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide, Nuclear receptor ROR-gamma | 著者 | Marcotte, D.J. | 登録日 | 2015-04-29 | 公開日 | 2015-06-17 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.702 Å) | 主引用文献 | Discovery of biaryl carboxylamides as potent ROR gamma inverse agonists. Bioorg.Med.Chem.Lett., 25, 2015
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6FQV
| 2.60A BINARY COMPLEX OF S.AUREUS GYRASE with UNCLEAVED DNA | 分子名称: | DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, DNA gyrase subunit B,DNA gyrase subunit B, ... | 著者 | Bax, B.D, Germe, T, Basque, E, Maxwell, A. | 登録日 | 2018-02-14 | 公開日 | 2018-04-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance. Nucleic Acids Res., 46, 2018
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5KYA
| Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core | 分子名称: | Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol | 著者 | Chen, G, McKeever, B.M. | 登録日 | 2016-07-21 | 公開日 | 2016-09-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.598 Å) | 主引用文献 | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core. Bioorg.Med.Chem.Lett., 26, 2016
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6SBT
| Structure of GluK1 ligand-binding domain (S1S2) in complex with N-(7-(1H-imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl benzamide at 2.3 A resolution | 分子名称: | CHLORIDE ION, GLYCEROL, Glutamate receptor ionotropic, ... | 著者 | Moellerud, S, Frydenvang, K, Kastrup, J.S. | 登録日 | 2019-07-22 | 公開日 | 2019-10-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | N-(7-(1H-Imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)benzamide, a New Kainate Receptor Selective Antagonist and Analgesic: Synthesis, X-ray Crystallography, Structure-Affinity Relationships, and in Vitro and in Vivo Pharmacology. Acs Chem Neurosci, 10, 2019
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4Z8N
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4ZOM
| RORgamma in complex with inverse agonist 4j. | 分子名称: | N-{4-[3-(acetylamino)-1-(propan-2-yl)-1H-pyrazol-5-yl]-2-[(1R,5S)-3-azabicyclo[3.1.0]hex-3-yl]phenyl}-2-chloro-6-fluoro-N-methylbenzamide, Nuclear receptor ROR-gamma | 著者 | Marcotte, D.J. | 登録日 | 2015-05-06 | 公開日 | 2015-06-17 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Discovery of novel pyrazole-containing benzamides as potent ROR gamma inverse agonists. Bioorg.Med.Chem.Lett., 25, 2015
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8FOF
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5E8B
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7EOY
| Engineered Hepatitis B virus core antigen T=3 | 分子名称: | Capsid protein,Immunoglobulin G-binding protein A | 著者 | Jeong, H, Heo, Y, Yoo, Y, Ryu, B, Yun, J, Cho, H, Lee, W. | 登録日 | 2021-04-24 | 公開日 | 2021-09-01 | 最終更新日 | 2022-02-16 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structural and Functional Characterizations of Cancer Targeting Nanoparticles Based on Hepatitis B Virus Capsid. Int J Mol Sci, 22, 2021
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7FID
| Processive cleavage of substrate at individual proteolytic active sites of the Lon proteasecomplex (conformation 1) | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Lon protease, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | 著者 | Li, S, Hsieh, K, Kuo, C, Su, S, Huang, K, Zhang, K, Chang, C.I. | 登録日 | 2021-07-31 | 公開日 | 2021-11-24 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (2.44 Å) | 主引用文献 | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex. Sci Adv, 7, 2021
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7FIZ
| Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex (conformation 3) | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Lon protease, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | 著者 | Li, S, Hsieh, K, Kuo, C, Su, S, Huang, K, Zhang, K, Chang, C.I. | 登録日 | 2021-08-01 | 公開日 | 2021-11-24 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | 主引用文献 | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex. Sci Adv, 7, 2021
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7FIE
| Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex (conformation 2) | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Lon protease, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | 著者 | Li, S, Hsieh, K, Kuo, C, Su, S, Huang, K, Zhang, K, Chang, C.I. | 登録日 | 2021-07-31 | 公開日 | 2021-11-24 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (2.36 Å) | 主引用文献 | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex. Sci Adv, 7, 2021
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5BMI
| Nitroxide Spin Labels in Protein GB1: T44 Mutant, Crystal Form A | 分子名称: | Immunoglobulin G-binding protein G, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | 著者 | Cunningham, T.C, Horne, W.S, Saxena, S. | 登録日 | 2015-05-22 | 公開日 | 2016-04-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Rotameric preferences of a protein spin label at edge-strand beta-sheet sites. Protein Sci., 25, 2016
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7L7F
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1U0H
| STRUCTURAL BASIS FOR THE INHIBITION OF MAMMALIAN ADENYLYL CYCLASE BY MANT-GTP | 分子名称: | 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase, ... | 著者 | Mou, T.C, Gille, A, Seifert, R.J, Sprang, S.R. | 登録日 | 2004-07-13 | 公開日 | 2004-12-14 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for the inhibition of mammalian membrane adenylyl cyclase by 2 '(3')-O-(N-Methylanthraniloyl)-guanosine 5 '-triphosphate. J.Biol.Chem., 280, 2005
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8CSE
| WbbB in complex with alpha-Rha-(1-3)-beta-GlcNAc acceptor | 分子名称: | CYTIDINE-5'-MONOPHOSPHATE, N-(8-hydroxyoctyl)-4-methoxybenzamide, N-acetyl glucosaminyl transferase, ... | 著者 | Forrester, T.J.B, Kimber, M.S. | 登録日 | 2022-05-12 | 公開日 | 2022-11-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step. Nat Commun, 13, 2022
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8CSF
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8CSD
| WbbB D232C Kdo adduct | 分子名称: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, ... | 著者 | Forrester, T.J.B, Kimber, M.S. | 登録日 | 2022-05-12 | 公開日 | 2022-11-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step. Nat Commun, 13, 2022
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8CSB
| WbbB D232N in complex with CMP-beta-Kdo | 分子名称: | CYTIDINE 5'-MONOPHOSPHATE 3-DEOXY-BETA-D-GULO-OCT-2-ULO-PYRANOSONIC ACID, CYTIDINE-5'-MONOPHOSPHATE, N-acetyl glucosaminyl transferase, ... | 著者 | Forrester, T.J.B, Kimber, M.S. | 登録日 | 2022-05-12 | 公開日 | 2022-11-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step. Nat Commun, 13, 2022
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8CSC
| WbbB D232N-Kdo adduct | 分子名称: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, ... | 著者 | Forrester, T.J.B, Kimber, M.S. | 登録日 | 2022-05-12 | 公開日 | 2022-11-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step. Nat Commun, 13, 2022
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