4H3F
 
 | | Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile | | 分子名称: | 3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | | 著者 | Strickland, C, Mandal, M. | | 登録日 | 2012-09-13 | | 公開日 | 2012-11-07 | | 最終更新日 | 2012-11-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
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4AGO
 | | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5174 | | 分子名称: | CELLULAR TUMOR ANTIGEN P53, TERT-BUTYL [3-(3-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-HYDROXY-5-IODOPHENYL)PROP-2-YN-1-YL]CARBAMATE, ZINC ION | | 著者 | Joerger, A.C, Wilcken, R, Fersht, A.R, Boeckler, F.M. | | 登録日 | 2012-01-30 | | 公開日 | 2012-03-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
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8E5F
 | | Cryo-EM of P. calidifontis cytochrome filament | | 分子名称: | HEME C, c-type cytochrome | | 著者 | Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H. | | 登録日 | 2022-08-22 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-07-26 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Extracellular cytochrome nanowires appear to be ubiquitous in prokaryotes.
Cell, 186, 2023
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8E5G
 | | Cryo-EM of A. veneficus cytochrome filament | | 分子名称: | HEME C, c-type cytochrome | | 著者 | Wang, F, Baquero, D.P, Krupovic, M, Egelman, E.H. | | 登録日 | 2022-08-22 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-07-26 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Extracellular cytochrome nanowires appear to be ubiquitous in prokaryotes.
Cell, 186, 2023
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4R6U
 | | IL-18 receptor complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-18, Interleukin-18 receptor 1 | | 著者 | Wei, H, Wang, X. | | 登録日 | 2014-08-26 | | 公開日 | 2014-10-15 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural basis for the specific recognition of IL-18 by its alpha receptor.
Febs Lett., 588, 2014
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8DSV
 | | The structure of NicA2 in complex with N-methylmyosmine | | 分子名称: | DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FAD-dependent oxidoreductase, ... | | 著者 | Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A. | | 登録日 | 2022-07-22 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Nat.Chem.Biol., 19, 2023
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8DQ8
 | | The structure of NicA2 variant F104L/A107T/S146I/G317D/H368R/L449V/N462S in complex with N-methylmyosmine | | 分子名称: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 1,2-ETHANEDIOL, Amine oxidase, ... | | 著者 | Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A. | | 登録日 | 2022-07-18 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Nat.Chem.Biol., 19, 2023
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8DQ7
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6D1W
 | | human PKD2 F604P mutant | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystin-2 | | 著者 | Zheng, W, Yang, X, Bulkley, D, Chen, X.Z, Cao, E. | | 登録日 | 2018-04-12 | | 公開日 | 2018-06-27 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3.54 Å) | | 主引用文献 | Hydrophobic pore gates regulate ion permeation in polycystic kidney disease 2 and 2L1 channels.
Nat Commun, 9, 2018
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4AGN
 | | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5116 | | 分子名称: | 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-(3-HYDROXYPROP-1-YN-1-YL)-6-IODOPHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION | | 著者 | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | | 登録日 | 2012-01-30 | | 公開日 | 2012-03-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
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6K4V
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4AGQ
 | | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5196 | | 分子名称: | 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION | | 著者 | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | | 登録日 | 2012-01-30 | | 公開日 | 2012-03-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
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6K4W
 | | smart chimeric peptide SCP-A6 | | 分子名称: | SCP-A6 | | 著者 | Wang, J.H, Liu, X.H. | | 登録日 | 2019-05-27 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Development of chimeric peptides to facilitate the neutralisation of lipopolysaccharides during bactericidal targeting of multidrug-resistant Escherichia coli.
Commun Biol, 3, 2020
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4AGP
 | | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5176 | | 分子名称: | 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION | | 著者 | Joerger, A.C, Wilcken, R, Fersht, A.R, Boeckler, F.M. | | 登録日 | 2012-01-30 | | 公開日 | 2012-03-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
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4AGL
 | | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan784 | | 分子名称: | 2,4-BIS(IODANYL)-6-[[METHYL-(1-METHYLPIPERIDIN-4-YL)AMINO]METHYL]PHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION | | 著者 | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | | 登録日 | 2012-01-30 | | 公開日 | 2012-03-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
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4AGM
 | | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5086 | | 分子名称: | 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4,6-DIIODOPHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION | | 著者 | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | | 登録日 | 2012-01-30 | | 公開日 | 2012-03-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
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5XNB
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7C4D
 | | Marine microorganism esterase | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Putative esterase, ... | | 著者 | Zhu, C.H, Wu, Y.K, Isupov, M.N. | | 登録日 | 2020-05-16 | | 公開日 | 2021-05-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Structural Insights into a Novel Esterase from the East Pacific Rise and Its Improved Thermostability by a Semirational Design.
J.Agric.Food Chem., 69, 2021
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7C4O
 | | Solution structure of the Orange domain from human protein HES1 | | 分子名称: | Transcription factor HES-1 | | 著者 | Fan, J.S, Nayak, A, Swaminathan, K. | | 登録日 | 2020-05-18 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Induction of Transcriptional Inhibitor Hairy and Enhancer of Split Homolog-1 and the Related Repression of Tumor-Suppressor Thioredoxin-Interacting Protein Are Important Components of Cell-Transformation Program Imposed by Oncogenic Kinase Nucleophosmin-Anaplastic Lymphoma Kinase.
Am J Pathol, 2022
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7JYD
 | | Human Liver Receptor Homolog-1 in Complex with 10CA and a Fragment of Tif2 | | 分子名称: | 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | 著者 | D'Agostino, E.H, Mays, S.G, Ortlund, E.A. | | 登録日 | 2020-08-30 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
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7JYE
 | | Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2 | | 分子名称: | 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | 著者 | D'Agostino, E.H, Mays, S.G, Ortlund, E.A. | | 登録日 | 2020-08-30 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.551 Å) | | 主引用文献 | Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
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3CI5
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4BCG
 | | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | 分子名称: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ... | | 著者 | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | 登録日 | 2012-10-02 | | 公開日 | 2013-04-17 | | 最終更新日 | 2019-05-15 | | 実験手法 | X-RAY DIFFRACTION (3.085 Å) | | 主引用文献 | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56, 2013
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7JU6
 | | Structure of RET protein tyrosine kinase in complex with selpercatinib | | 分子名称: | FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret, Selpercatinib | | 著者 | Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M. | | 登録日 | 2020-08-19 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Structural basis of acquired resistance to selpercatinib and pralsetinib mediated by non-gatekeeper RET mutations.
Ann Oncol, 32, 2021
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5Z1W
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