PDB: 12060 件ウェブページステータス検索Chemie searchBIRD

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7D24	Hsp90 alpha N-terminal domain in complex with a 4B compund 分子名称: 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine, Heat shock protein HSP 90-alpha 著者 Shin, S.C, Kim, E.E. 登録日 2020-09-15 公開日 2021-07-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90. Int J Mol Sci, 21, 2020
7D26	Hsp90 alpha N-terminal domain in complex with a 8 compund 分子名称: 6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha 著者 Shin, S.C, Kim, E.E. 登録日 2020-09-15 公開日 2021-07-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90. Int J Mol Sci, 21, 2020
7D1V	Hsp90 alpha N-terminal domain in complex with a 6C compund 分子名称: 6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha 著者 Shin, S.C, Kim, E.E. 登録日 2020-09-15 公開日 2021-07-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.332 Å) 主引用文献 Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90. Int J Mol Sci, 21, 2020
7D22	Hsp90 alpha N-terminal domain in complex with a 6B compund 分子名称: 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine, Heat shock protein HSP 90-alpha 著者 Shin, S.C, Kim, E.E. 登録日 2020-09-15 公開日 2021-07-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90. Int J Mol Sci, 21, 2020
7D25	Hsp90 alpha N-terminal domain in complex with a 14 compund 分子名称: 6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha 著者 Shin, S.C, Kim, E.E. 登録日 2020-09-15 公開日 2021-07-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90. Int J Mol Sci, 21, 2020
4Q8E	Human DNA polymerase eta inserting dCMPNPP opposite a phenanthriplatin adducted G 分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 5'-D(*AP*GP*TP*GP*TP*GP*AP*G)-3', 5'-D(*CP*AP*TP*GP*CP*TP*CP*AP*CP*AP*CP*T)-3', ... 著者 Gregory, M.T, Yang, W. 登録日 2014-04-26 公開日 2014-07-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.549 Å) 主引用文献 Structural and mechanistic studies of polymerase eta bypass of phenanthriplatin DNA damage. Proc.Natl.Acad.Sci.USA, 111, 2014
7D9P	Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 12 分子名称: (2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase 著者 Liu, Q.F, Yin, W.C. 登録日 2020-10-14 公開日 2021-08-25 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. J.Med.Chem., 64, 2021
7D9Q	Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 7 分子名称: (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase 著者 Liu, Q.F, Yin, W.C. 登録日 2020-10-14 公開日 2021-08-25 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.66 Å) 主引用文献 Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. J.Med.Chem., 64, 2021
7D9O	Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 2 分子名称: (2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase 著者 Liu, Q.F, Yin, W.C. 登録日 2020-10-14 公開日 2021-08-25 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. J.Med.Chem., 64, 2021
7DHA	crystal structure of CD38 in complex with daratumumab 分子名称: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy Chain, Light chain 著者 Lee, H.T, Heo, Y.S. 登録日 2020-11-13 公開日 2021-09-22 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Crystal structure of CD38 in complex with daratumumab, a first-in-class anti-CD38 antibody drug for treating multiple myeloma. Biochem.Biophys.Res.Commun., 536, 2021
6ASQ	Structure of Grp94 bound to methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate, a pan-Hsp90 inhibitor 分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, Endoplasmin, ... 著者 Huard, D.J.E, Lieberman, R.L. 登録日 2017-08-25 公開日 2018-04-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Trifunctional High-Throughput Screen Identifies Promising Scaffold To Inhibit Grp94 and Treat Myocilin-Associated Glaucoma. ACS Chem. Biol., 13, 2018
6BBA	Crystal structure of human mitochondrial ClpP complex with acyldepsipeptide ADEP-28 分子名称: ATP-dependent Clp protease proteolytic subunit, mitochondrial, Acyldepsipeptide ADEP-28 著者 Mabanglo, M.F, Houry, W.A. 登録日 2017-10-17 公開日 2018-07-11 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.796 Å) 主引用文献 Acyldepsipeptide Analogs Dysregulate Human Mitochondrial ClpP Protease Activity and Cause Apoptotic Cell Death. Cell Chem Biol, 25, 2018
7DMY	The crystal structure of Cpd7 in complex with BPTF bromodomain 分子名称: Nucleosome-remodeling factor subunit BPTF, tert-butyl 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate 著者 Xiong, L, Guo, Y, Yang, S. 登録日 2020-12-08 公開日 2021-10-20 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization. Biochem.Biophys.Res.Commun., 545, 2021
7DN4	The crystal structure of Cpd8 in complex with BPTF bromodomain 分子名称: 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one, Nucleosome-remodeling factor subunit BPTF 著者 Xiong, L, Guo, Y, Yang, S. 登録日 2020-12-08 公開日 2021-10-20 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.841 Å) 主引用文献 Discovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization. Biochem.Biophys.Res.Commun., 545, 2021
6F0A	Crystal structure of human indoleamine 2,3-dioxygenase bound to a triazole inhibitor and alanine molecule. 分子名称: ALANINE, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Swan, M.K, Latchem, M. 登録日 2017-11-17 公開日 2017-12-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 New 4-Amino-1,2,3-Triazole Inhibitors of Indoleamine 2,3-Dioxygenase Form a Long-Lived Complex with the Enzyme and Display Exquisite Cellular Potency. Chembiochem, 19, 2018
5YKO	Crystal structure of Arabidopsis thaliana JMJ14 catalytic domain in complex with NOG and H3K4me3 peptide 分子名称: H3(1-10)K4me3 peptide, N-OXALYLGLYCINE, NICKEL (II) ION, ... 著者 Yang, Z, Du, J. 登録日 2017-10-15 公開日 2017-12-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structure of the Arabidopsis JMJ14-H3K4me3 Complex Provides Insight into the Substrate Specificity of KDM5 Subfamily Histone Demethylases. Plant Cell, 30, 2018
5Y4C	Crystal structure of EfeO-like protein Algp7 in complex with a metal ion 分子名称: Alginate-binding protein, COPPER (II) ION, GLYCEROL 著者 Temtrirath, K, Maruyama, Y, Mikami, B, Murata, K, Hashimoto, W. 登録日 2017-08-03 公開日 2017-10-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.701 Å) 主引用文献 Binding mode of metal ions to the bacterial iron import protein EfeO Biochem. Biophys. Res. Commun., 493, 2017
4Q8F	Human DNA polymerase eta extending primer immediately after a phenanthriplatin adducted G 分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, 5'-D(*AP*GP*TP*GP*TP*GP*AP*C)-3', 5'-D(*CP*AP*TP*CP*GP*TP*CP*AP*CP*AP*CP*T)-3', ... 著者 Gregory, M.T, Yang, W. 登録日 2014-04-26 公開日 2014-07-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.797 Å) 主引用文献 Structural and mechanistic studies of polymerase eta bypass of phenanthriplatin DNA damage. Proc.Natl.Acad.Sci.USA, 111, 2014
7DQ8	Crystal structure of actinomycin D-echinomycin-d(ACGCGCT/AGCTCGT) complex 分子名称: 2-CARBOXYQUINOXALINE, Actinomycin D, DNA (5'-D(P*AP*CP*GP*CP*GP*CP*T)-3'), ... 著者 Satange, R.B, Hou, M.H. 登録日 2020-12-22 公開日 2021-12-29 最終更新日 2024-07-10 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Synergistic binding of actinomycin D and echinomycin to DNA mismatch sites and their combined anti-tumour effects. Nucleic Acids Res., 2023
7DQ0	Crystal structure of actinomycin D-echinomycin-d(ACGTGCT/AGCTCGT) complex 分子名称: 2-CARBOXYQUINOXALINE, Actinomycin D, CHLORIDE ION, ... 著者 Satange, R.B, Hou, M.H. 登録日 2020-12-22 公開日 2021-12-29 最終更新日 2024-07-10 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Synergistic binding of actinomycin D and echinomycin to DNA mismatch sites and their combined anti-tumour effects. Nucleic Acids Res., 2023
5YE4	Crystal structure of the complex of di-acetylated histone H4 and 1A9D7 Fab fragment 分子名称: 1A9D7 L chain, 1A9D7 VH CH1 chain, ZINC ION, ... 著者 Matsuda, T, Ito, T, Wakamori, M, Umehara, T. 登録日 2017-09-15 公開日 2018-08-22 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.799 Å) 主引用文献 JQ1 affects BRD2-dependent and independent transcription regulation without disrupting H4-hyperacetylated chromatin states. Epigenetics, 13, 2018
6FAU	Crystal structure of C-terminal modified Tau peptide-hybrid 4.2e-I with 14-3-3sigma 分子名称: (2~{R})-2-[(~{R})-(2-methoxyphenyl)-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ... 著者 Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. 登録日 2017-12-18 公開日 2018-05-16 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes. ACS Chem Neurosci, 9, 2018
6FI4	Crystal structure of C-terminal modified Tau peptide-hybrid 3.2e with 14-3-3sigma 分子名称: (2~{S})-2-(diphenylmethyl)pyrrolidine, 14-3-3 protein sigma, CALCIUM ION, ... 著者 Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. 登録日 2018-01-17 公開日 2018-05-16 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes. ACS Chem Neurosci, 9, 2018
6FAV	Crystal structure of C-terminal modified Tau peptide-hybrid 4.2f-I with 14-3-3sigma 分子名称: (2~{R})-2-[(~{R})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ... 著者 Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. 登録日 2017-12-18 公開日 2018-05-16 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes. ACS Chem Neurosci, 9, 2018
6FBY	Crystal structure of C-terminal modified Tau peptide-hybrid 4.2b with 14-3-3sigma 分子名称: (2~{R})-2-[(~{S})-(3-methylphenyl)-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ... 著者 Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. 登録日 2017-12-20 公開日 2018-05-16 最終更新日 2019-02-27 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes. ACS Chem Neurosci, 9, 2018

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