2L97
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2L83
| A protein from Haloferax volcanii | 分子名称: | Small archaeal modifier protein 1 | 著者 | Zhang, W, Liao, S, Fan, K, Tu, X. | 登録日 | 2011-01-03 | 公開日 | 2012-01-11 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Ionic strength-dependent conformations of a ubiquitin-like small archaeal modifier protein (SAMP1) from Haloferax volcanii. Protein Sci., 22, 2013
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5F9P
| Crystal structure study of anthrone oxidase-like protein | 分子名称: | Anthrone oxidase-like protein, GLYCEROL | 著者 | Gao, X, Wu, D, Fan, K, Liu, Z.-J. | 登録日 | 2015-12-10 | 公開日 | 2016-12-14 | 最終更新日 | 2018-07-18 | 実験手法 | X-RAY DIFFRACTION (2.078 Å) | 主引用文献 | Structure and Function of a C-C Bond Cleaving Oxygenase in Atypical Angucycline Biosynthesis ACS Chem. Biol., 12, 2017
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2KI0
| NMR Structure of a de novo designed beta alpha beta | 分子名称: | DS119 | 著者 | Liang, H, Chen, H, Fan, K, Wei, P, Guo, X, Jin, C, Zeng, C, Tang, C, Lai, L. | 登録日 | 2009-04-18 | 公開日 | 2009-10-20 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | De novo design of a beta alpha beta motif. Angew.Chem.Int.Ed.Engl., 48, 2009
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2LJI
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7CK9
| Crystal structure of Doxorubicin loaded human ferritin heavy chain | 分子名称: | CHLORIDE ION, Ferritin heavy chain, GLYCEROL, ... | 著者 | Chen, X, Jiang, B, Yan, X, Fan, K. | 登録日 | 2020-07-16 | 公開日 | 2021-05-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.602 Å) | 主引用文献 | A natural drug entry channel in the ferritin nanocage. Nano Today, 35, 2020
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7CK8
| Crystal structure of human ferritin heavy chain mutant C90S/C102S/C130S | 分子名称: | CHLORIDE ION, FE (III) ION, Ferritin heavy chain, ... | 著者 | Chen, X, Jiang, B, Yan, X, Fan, K. | 登録日 | 2020-07-16 | 公開日 | 2021-05-26 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A natural drug entry channel in the ferritin nanocage. Nano Today, 35, 2020
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1UHL
| Crystal structure of the LXRalfa-RXRbeta LBD heterodimer | 分子名称: | (2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID, 10-mer peptide from Nuclear receptor coactivator 2, N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, ... | 著者 | Svensson, S, Ostberg, T, Jacobsson, M, Norstrom, C, Stefansson, K, Hallen, D, Johansson, I.C, Zachrisson, K, Ogg, D, Jendeberg, L. | 登録日 | 2003-07-03 | 公開日 | 2004-06-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal structure of the heterodimeric complex of LXRalpha and RXRbeta ligand-binding domains in a fully agonistic conformation Embo J., 22, 2003
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6GZY
| HOIP-fragment5 complex | 分子名称: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase RNF31, SODIUM ION, ... | 著者 | Johansson, H, Tsai, Y.C.I, Fantom, K, Chung, C.W, Martino, L, House, D, Rittinger, K. | 登録日 | 2018-07-05 | 公開日 | 2019-01-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Fragment-Based Covalent Ligand Screening Enables Rapid Discovery of Inhibitors for the RBR E3 Ubiquitin Ligase HOIP. J. Am. Chem. Soc., 141, 2019
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1XSE
| Crystal Structure of Guinea Pig 11beta-Hydroxysteroid Dehydrogenase Type 1 | 分子名称: | 11beta-hydroxysteroid dehydrogenase type 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Ogg, D, Elleby, B, Norstrom, C, Stefansson, K, Abrahmsen, L, Oppermann, U, Svensson, S. | 登録日 | 2004-10-19 | 公開日 | 2004-11-16 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The crystal structure of guinea pig 11beta-hydroxysteroid dehydrogenase type 1 provides a model for enzyme-lipid bilayer interactions J.Biol.Chem., 280, 2005
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3L3A
| Bace-1 with the aminopyridine Compound 32 | 分子名称: | 4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl}phenoxy)butanenitrile, Beta-secretase 1 | 著者 | Olland, A.M, Chopra, R. | 登録日 | 2009-12-16 | 公開日 | 2010-04-28 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.362 Å) | 主引用文献 | Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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6KU8
| structure of HRV-C 3C protein with rupintrivir | 分子名称: | 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, Genome polyprotein | 著者 | Zhu, L, Yuan, S. | 登録日 | 2019-08-31 | 公開日 | 2020-03-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structure of the HRV-C 3C-Rupintrivir Complex Provides New Insights for Inhibitor Design. Virol Sin, 35, 2020
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6KU7
| structure of HRV-C 3C protein | 分子名称: | Genome polyprotein | 著者 | Zhu, L, Yuan, S. | 登録日 | 2019-08-31 | 公開日 | 2020-03-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structure of the HRV-C 3C-Rupintrivir Complex Provides New Insights for Inhibitor Design. Virol Sin, 35, 2020
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5VLR
| CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR | 分子名称: | 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Sack, J.S. | 登録日 | 2017-04-26 | 公開日 | 2017-06-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase delta (PI3K delta ) Inhibitor for the Treatment of Immunological Disorders. J. Med. Chem., 60, 2017
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2L32
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3OOZ
| Bace1 in complex with the aminohydantoin Compound 102 | 分子名称: | (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | 著者 | Olland, A.M. | 登録日 | 2010-08-31 | 公開日 | 2011-08-31 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design and Synthesis of Aminohydantoins as Potent and Selective Human beta-Secretase (BACE1) Inhibitors with Enhanced Brain Permeability Bioorg.Med.Chem.Lett., 20, 2010
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3IGB
| Bace-1 with Compound 3 | 分子名称: | 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine, Beta-secretase 1 | 著者 | Olland, A.M. | 登録日 | 2009-07-27 | 公開日 | 2009-11-03 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (2.238 Å) | 主引用文献 | Aminoimidazoles as potent and selective human beta-secretase (BACE1) inhibitors J.Med.Chem., 52, 2009
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3IN4
| Bace1 with Compound 38 | 分子名称: | (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | 著者 | Olland, A.M. | 登録日 | 2009-08-11 | 公開日 | 2010-01-19 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors. Bioorg.Med.Chem., 18, 2010
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3IN3
| Bace1 with Compound 30 | 分子名称: | (5S)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | 著者 | Olland, A.M. | 登録日 | 2009-08-11 | 公開日 | 2010-01-19 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors. Bioorg.Med.Chem., 18, 2010
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3L38
| Bace1 in complex with the aminopyridine Compound 44 | 分子名称: | 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine, Beta-secretase 1 | 著者 | Olland, A.M, Chopra, R. | 登録日 | 2009-12-16 | 公開日 | 2010-04-28 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3MTS
| Chromo Domain of Human Histone-Lysine N-Methyltransferase SUV39H1 | 分子名称: | Histone-lysine N-methyltransferase SUV39H1 | 著者 | Lam, R, Li, Z, Wang, J, Crombet, L, Walker, J.R, Ouyang, H, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2010-04-30 | 公開日 | 2010-06-30 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal Structure of the Human SUV39H1 Chromodomain and Its Recognition of Histone H3K9me2/3. Plos One, 7, 2012
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6VQN
| Co-crystal structure of human PD-L1 complexed with Compound A | 分子名称: | N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide), Programmed cell death 1 ligand 1 | 著者 | White, A, Lakshminarasimhan, D, Leo, C, Suto, R.K. | 登録日 | 2020-02-05 | 公開日 | 2021-01-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Checkpoint inhibition through small molecule-induced internalization of programmed death-ligand 1. Nat Commun, 12, 2021
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8GBU
| Hepatitis B capsid Y132A mutant with compound AB-506 | 分子名称: | (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl}carbamate, 1,2-ETHANEDIOL, Capsid protein | 著者 | Horanyi, P.S, Mayclin, S.J. | 登録日 | 2023-02-28 | 公開日 | 2023-09-06 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Design, synthesis, and structure-activity relationship of a bicyclic HBV capsid assembly modulator chemotype leading to the identification of clinical candidate AB-506. Bioorg.Med.Chem.Lett., 94, 2023
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8KFD
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3IND
| Bace1 with the aminohydantoin Compound 29 | 分子名称: | (5S)-2-amino-3-methyl-5-phenyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | 著者 | Olland, A.M, Chopra, R. | 登録日 | 2009-08-12 | 公開日 | 2010-03-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.246 Å) | 主引用文献 | Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors. J.Med.Chem., 53, 2010
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