PDB: 245663 件ウェブページステータス検索Chemie searchBIRD

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6UY7	Crystal structure of the STAC3 tandem SH3 domains - P269R 分子名称: 1,2-ETHANEDIOL, SH3 and cysteine-rich domain-containing protein 3 著者 Rufenach, B, Van Petegem, F. 登録日 2019-11-12 公開日 2020-06-17 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.105 Å) 主引用文献 Multiple Sequence Variants in STAC3 Affect Interactions with CaV1.1 and Excitation-Contraction Coupling. Structure, 28, 2020
8SXU	Structure of LINE-1 ORF2p with an oligo(A) template 分子名称: LINE-1 retrotransposable element ORF2 protein, RNA (25-MER) 著者 van Eeuwen, T, Taylor, M.S, Rout, M.P. 登録日 2023-05-24 公開日 2024-01-10 最終更新日 2024-02-14 実験手法 ELECTRON MICROSCOPY (3.66 Å) 主引用文献 Structures, functions and adaptations of the human LINE-1 ORF2 protein. Nature, 626, 2024
9ERX	Structural basis of D9-THC analog activity at the Cannabinoid 1 receptor 分子名称: (6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol, Antibody ScFv16 Fab fragment, Cannabinoid receptor 1, ... 著者 Thorsen, T.S, Kulkarni, Y, Boggild, A, Drace, T, Nissen, P, Gajhede, M, Boesen, T, Kastrup, J.S, Gloriam, D. 登録日 2024-03-25 公開日 2024-06-26 最終更新日 2025-07-02 実験手法 ELECTRON MICROSCOPY (2.9 Å) 主引用文献 Structural basis of Delta 9 -THC analog activity at the Cannabinoid 1 receptor. Res Sq, 2024
8SXT	Structure of LINE-1 ORF2p with template:primer hybrid 分子名称: DNA primer, LINE-1 retrotransposable element ORF2 protein, MAGNESIUM ION, ... 著者 van Eeuwen, T, Taylor, M.S, Rout, M.P. 登録日 2023-05-24 公開日 2024-01-10 最終更新日 2024-02-14 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 Structures, functions and adaptations of the human LINE-1 ORF2 protein. Nature, 626, 2024
4UFN	Laboratory evolved variant R-C1B1 of potato epoxide hydrolase StEH1 分子名称: 1,4-DIETHYLENE DIOXIDE, EPOXIDE HYDROLASE 著者 Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M. 登録日 2015-03-17 公開日 2016-04-13 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Conformational Diversity and Enantioconvergence in Potato Epoxide Hydrolase 1. Org.Biomol.Chem., 14, 2016
7Z1V	PARP15 catalytic domain in complex with OUL208 分子名称: 6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 著者 Maksimainen, M.M, Lehtio, L. 登録日 2022-02-25 公開日 2023-01-25 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
7Z1Y	PARP15 catalytic domain in complex with OUL245 分子名称: DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15, [1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol 著者 Maksimainen, M.M, Lehtio, L. 登録日 2022-02-25 公開日 2023-01-25 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
7Z63	Structure of the LecA lectin from Pseudomonas aeruginosa in complex with a biaryl-thiogalactoside 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, PA-I galactophilic lectin, ... 著者 Varrot, A. 登録日 2022-03-10 公開日 2023-01-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Discovery of potent 1,1-diarylthiogalactoside glycomimetic inhibitors of Pseudomonas aeruginosa LecA with antibiofilm properties. Eur.J.Med.Chem., 247, 2022
7Z1W	PARP15 catalytic domain in complex with OUL246 分子名称: 6-chloranyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 著者 Maksimainen, M.M, Lehtio, L. 登録日 2022-02-25 公開日 2023-01-25 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
4D4B	The catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with MSMSMe 分子名称: 1,2-ETHANEDIOL, ALPHA-1,6-MANNANASE, alpha-D-mannopyranose-(1-6)-methyl 1,6-dithio-alpha-D-mannopyranoside 著者 Thompson, A.J, Speciale, G, Iglesias-Fernandez, J, Hakki, Z, Belz, T, Cartmell, A, Spears, R.J, Stepper, J, Gilbert, H.J, Rovira, C, Williams, S.J, Davies, G.J. 登録日 2014-10-27 公開日 2015-03-25 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism Angew.Chem.Int.Ed.Engl., 54, 2015
7KLC	Crystal structure of M4H2K1 Fab bound to HIV-1 BG505 gp120 core and to 17b Fab 分子名称: 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Kumar, S, Wilson, I.A. 登録日 2020-10-29 公開日 2021-07-07 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (4.3 Å) 主引用文献 Neutralizing Antibodies Induced by First-Generation gp41-Stabilized HIV-1 Envelope Trimers and Nanoparticles. Mbio, 12, 2021
4XHU	The complex structure of Timeless_PAB and PARP-1_catalytic domain 分子名称: ACETATE ION, CALCIUM ION, GLYCEROL, ... 著者 Xie, S, Qian, C. 登録日 2015-01-06 公開日 2015-09-30 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.089 Å) 主引用文献 Timeless Interacts with PARP-1 to Promote Homologous Recombination Repair. Mol.Cell, 60, 2015
6UIP	DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133. 分子名称: 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A 著者 DiDonato, M, Spraggon, G. 登録日 2019-10-01 公開日 2020-03-04 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (3.7 Å) 主引用文献 Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133. J.Med.Chem., 63, 2020
8SU8	Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde). 分子名称: (6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ... 著者 Bruystens, J.G.H. 登録日 2023-05-11 公開日 2023-12-06 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors. Acs Pharmacol Transl Sci, 6, 2023
8T09	Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-ethynyl-2-hydroxy-1-naphthaldehyde) 分子名称: 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ... 著者 Bruystens, J.G.H. 登録日 2023-05-31 公開日 2023-12-13 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors. Acs Pharmacol Transl Sci, 6, 2023
8T7V	Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde) 分子名称: (7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ... 著者 Bruystens, J.G.H. 登録日 2023-06-21 公開日 2023-12-06 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors. Acs Pharmacol Transl Sci, 6, 2023
6UUI	Crystal structure of the heterocomplex between coil 2B domains of wild-type keratin 1 (KRT1) and keratin 10 (KRT10) containing mutation Cys401Ala 分子名称: GLYCEROL, Keratin, type I cytoskeletal 10, ... 著者 Lomakin, I.B, Bunick, C.G. 登録日 2019-10-30 公開日 2019-11-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.069 Å) 主引用文献 Crystal Structure of Keratin 1/10(C401A) 2B Heterodimer Demonstrates a Proclivity for the C-Terminus of Helix 2B to Form Higher Order Molecular Contacts. Yale J Biol Med, 93, 2020
8TCV	Structure of PYCR1 complexed with 4-bromobenzene-1,3-dicarboxylic acid 分子名称: 4-bromobenzene-1,3-dicarboxylic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ... 著者 Tanner, J.J, Meeks, K.R. 登録日 2023-07-02 公開日 2024-03-06 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. J.Chem.Inf.Model., 64, 2024
8TCZ	Structure of PYCR1 complexed with 2-(pyridin-2-yl)cyclopropane-1-carboxylic acid 分子名称: (1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ... 著者 Tanner, J.J, Meeks, K.R. 登録日 2023-07-02 公開日 2024-03-06 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. J.Chem.Inf.Model., 64, 2024
8TCX	Structure of PYCR1 complexed with 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid 分子名称: 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ... 著者 Tanner, J.J, Meeks, K.R. 登録日 2023-07-02 公開日 2024-03-06 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. J.Chem.Inf.Model., 64, 2024
8TCW	Structure of PYCR1 complexed with 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid 分子名称: 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ... 著者 Tanner, J.J, Meeks, K.R. 登録日 2023-07-02 公開日 2024-03-06 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. J.Chem.Inf.Model., 64, 2024
8TCU	Structure of PYCR1 complexed with 2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid 分子名称: 2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ... 著者 Tanner, J.J, Meeks, K.R. 登録日 2023-07-02 公開日 2024-03-06 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. J.Chem.Inf.Model., 64, 2024
8TCY	Structure of PYCR1 complexed with 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid 分子名称: 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid, DI(HYDROXYETHYL)ETHER, Pyrroline-5-carboxylate reductase 1, ... 著者 Tanner, J.J, Meeks, K.R. 登録日 2023-07-02 公開日 2024-03-06 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. J.Chem.Inf.Model., 64, 2024
7Z2Q	PARP15 catalytic domain in complex with OUL232 分子名称: 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 著者 Maksimainen, M.M, Lehtio, L. 登録日 2022-02-28 公開日 2023-01-25 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
4XII	X-ray structure of human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide 分子名称: 1,2-ETHANEDIOL, 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 Knez, D, Boris, B, Coquelle, N, Sosic, I, Sink, R, Brazzolotto, X, Mravljak, J, Colletier, J.P, Gobec, S. 登録日 2015-01-07 公開日 2015-07-08 最終更新日 2025-10-01 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structure-based development of nitroxoline derivatives as potential multifunctional anti-Alzheimer agents. Bioorg.Med.Chem., 23, 2015

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